Model name: model_name=EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.1529443442821545
cohesive_energy=3.033443451543865
mass=196.9665
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=[6.71130963686358e-20, 1.139753209541652e-19, 1.55652261081417e-19, 1.9319686723425598e-19, 2.2724632506002397e-19, 2.5823562551485196e-19, 2.8648840827880797e-19, 3.1225140855352796e-19, 3.3572650059489596e-19, 3.5707710641957994e-19, 3.76424991451764e-19, 3.93930373354848e-19, 4.09658941370826e-19, 4.2370682609773795e-19, 4.36157340720552e-19, 4.4707937883453e-19, 4.565370275050319e-19, 4.64586362914248e-19, 4.71281859067734e-19, 4.76668376911242e-19, 4.807923795671579e-19, 4.836939214513319e-19, 4.854082504497119e-19, 4.8597221662488e-19, 4.853569807974239e-19, 4.833446469451199e-19, 4.79646823273848e-19, 4.739366657502719e-19, 4.65783188859846e-19, 4.54684911316128e-19, 4.40023392938394e-19, 4.2103439547222594e-19, 3.9677263470356394e-19, 3.66063715159686e-19, 3.2742722563077597e-19, 2.7900143686812597e-19, 2.1840070786371e-19, 1.4254533469165318e-19, 4.7508542639684996e-20, -7.199797270803839e-20, -2.22923652501492e-19, -4.14665743352076e-19, -6.60114397150974e-19, -9.77249240084934e-19, -1.391665043882106e-18, -1.9406364479325e-18, -2.6780702872636798e-18, -3.69272874957588e-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: 0.008864236760610279
Energy: 0.009414392555001785
Energy: 0.3997107169993935
Energy: 0.009414392554539736
Energy: 0.009414392555001785
Energy: 0.4731115118716164
Energy: 0.009414392554539736
Energy: 0.47311151993317013
Energy: 0.39971070570318507
Energy: 0.009414392554539736
Energy: 0.008864236760610279
Energy: 0.008864236760610279
Energy: 0.009414392555001785
Energy: 0.47311152137353296
Energy: 0.47311152137353296
Energy: 0.4731115473260042

minimum gb energy = 0.008864236760610279 eV
minimum distance =  2.85330106703214 Angstroms
sigma value = 1


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

Energy: 0.7260854791502093
Energy: 0.5247069765500738
Energy: 0.5428001045023053
Energy: 0.5168761286543253
Energy: 0.5179140355542456
Energy: 0.5663364699289449
Energy: 0.5244758045287408
Energy: 0.5663364742481172
Energy: 0.5413080925838769
Energy: 0.5505538998265901
Energy: 0.7910265482265616
Energy: 0.5505537659353176
Energy: 0.5505643440815903
Energy: 0.5229363425747678
Energy: 0.5238240109554843
Energy: 0.5189790847049744
Energy: 0.6771013355775455
Energy: 0.5229972320990799
Energy: 0.5175017836599493
Energy: 0.5224276074006147
Energy: 0.57137558364036
Energy: 0.5563548845037668
Energy: 0.5282120974901272
Energy: 0.5563450490420611
Energy: 0.5326779080788173
Energy: 0.5469493502182571
Energy: 0.6760832568717628
Energy: 0.546949363891291
Energy: 0.54086338058852
Energy: 0.5470118817118953
Energy: 0.5806099971252903
Energy: 0.5443301578943668
Energy: 0.5907860230346009
Energy: 0.5501124288737922
Energy: 0.5689903905577868
Energy: 0.5501124289250633
Energy: 0.5716910463514288
Energy: 0.5647747788526735
Energy: 0.5565276619710824
Energy: 0.5647713291702646
Energy: 0.5683878552851673
Energy: 0.5501545569907142
Energy: 0.5950105926556982
Energy: 0.5501545569884088
Energy: 0.5437717216080548
Energy: 0.550702134234573
Energy: 0.5765575358006352
Energy: 0.5507021357111677
Energy: 0.5350922364006893
Energy: 0.5611343713238953
Energy: 0.5224113244107055
Energy: 0.5611343713221663
Energy: 0.5561290391875374
Energy: 0.5420914623779692
Energy: 0.5514595812755746
Energy: 0.5420937071944941
Energy: 0.5193899178957858
Energy: 0.5226423736175704
Energy: 0.5132391588856353
Energy: 0.5226451685093256
Energy: 0.564235797834651
Energy: 0.5574223189453884
Energy: 0.5257642260489881
Energy: 0.5574223184459068
Energy: 0.5424080159807129
Energy: 0.5465769629435144
Energy: 0.5280302376606151
Energy: 0.5465799695239608
Energy: 0.5235362060471008
Energy: 0.5206171149125547
Energy: 0.5215128142377115
Energy: 0.5205874958085476
Energy: 0.5285355539719525
Energy: 0.5491867864001112
Energy: 0.5432377370580964
Energy: 0.5491909519844781
Energy: 0.5968673693376338
Energy: 0.5515332948139662
Energy: 0.5354316281805954
Energy: 0.5515332762105141
Energy: 0.5206748157929155
Energy: 0.5493448925756722
Energy: 0.6749419897630959
Energy: 0.5493448272806172
Energy: 0.5259350623843669
Energy: 0.5248798300949569
Energy: 0.5459789560339989
Energy: 0.5248720916348513
Energy: 0.675727833897653
Energy: 0.5653515584254561
Energy: 0.5345743090676716
Energy: 0.5653515584243035
Energy: 0.5828610985816918
Energy: 0.5445690068841718
Energy: 0.5410059453075602
Energy: 0.5445690808031354
Energy: 0.5607582205724306
Energy: 0.5508231497257794
Energy: 0.5905715959519791
Energy: 0.5508231497257794
Energy: 0.5590365172299405
Energy: 0.5504878604826292
Energy: 0.5722239561808349
Energy: 0.5504878723449281
Energy: 0.5924313143030934
Energy: 0.549211535337959
Energy: 0.5718033060481954
Energy: 0.549211535337959
Energy: 0.5724346615328813
Energy: 0.5500875255780086
Energy: 0.549203357655446
Energy: 0.5500875256333406
Energy: 0.5181901980307885
Energy: 0.5446583857932498
Energy: 0.5326267489562728
Energy: 0.5446583862927575
Energy: 0.5586305298970323
Energy: 0.5435047592463448
Energy: 0.5427142573806991
Energy: 0.5435045401101529
Energy: 0.5126610497868422
Energy: 0.5201562398809707
Energy: 0.5242864116319893
Energy: 0.520155779754641
Energy: 0.5303382244091056
Energy: 0.5190833941583404
Energy: 0.5690041583194645
Energy: 0.5190467340119649
Energy: 0.5248547493398845
Energy: 0.5256232555551318
Energy: 0.5434961809368164
Energy: 0.522843476335581

minimum gb energy = 0.5126610497868422 eV
minimum distance =  2.65436491151583 Angstroms
sigma value = 1


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

Energy: 0.8301600235438958
Energy: 0.5423816705879928
Energy: 0.5652967997997129
Energy: 0.5423817085955303
Energy: 0.5442182024121797
Energy: 0.588019713703481
Energy: 0.5374994058282436
Energy: 0.5880197137809972
Energy: 0.5658190822848289
Energy: 0.5686388246240714
Energy: 0.7625777375287479
Energy: 0.5686387427765336
Energy: 0.5418119313524311
Energy: 0.5430832339681766
Energy: 0.5453749874808344
Energy: 0.5430840977588697
Energy: 0.7611523206021905
Energy: 0.5374864350591974
Energy: 0.539615371815654
Energy: 0.5360729751843806
Energy: 0.5940491915184523
Energy: 0.5830667561219056
Energy: 0.5424633484644966
Energy: 0.58306668740009
Energy: 0.5620684926941121
Energy: 0.5874640727777616
Energy: 0.6443445580667916
Energy: 0.5874640727784187
Energy: 0.5708126040780569
Energy: 0.5701394365937839
Energy: 0.6045412524794405
Energy: 0.5701375786479383
Energy: 0.5684959092848691
Energy: 0.5777886852114846
Energy: 0.5908737810701881
Energy: 0.5777886852114846
Energy: 0.6018787168839598
Energy: 0.5913922021204957
Energy: 0.5681829200913218
Energy: 0.591392215616682
Energy: 0.5419728413747534
Energy: 0.5687528678273404
Energy: 0.5680445678805705
Energy: 0.5687528681137465
Energy: 0.5417031609178011
Energy: 0.5692956402637066
Energy: 0.5661025566749561
Energy: 0.5692956396606945
Energy: 0.5346040956047344
Energy: 0.5479506480600111
Energy: 0.5383813841079648
Energy: 0.5479506533209462
Energy: 0.5441524413773055
Energy: 0.5385761388970507
Energy: 0.5472390667767277
Energy: 0.5385828763758767
Energy: 0.5434770446163687
Energy: 0.5706514218073039
Energy: 0.5640569494225508
Energy: 0.5706514948894943
Energy: 0.5426595204257308
Energy: 0.5443296089559247
Energy: 0.5384037067687327
Energy: 0.5443292912435399
Energy: 0.5660299151700445
Energy: 0.5687510464596901
Energy: 0.5388128919908695
Energy: 0.5688067290854544
Energy: 0.5464029957619507
Energy: 0.5377175833233984
Energy: 0.6193144129600028
Energy: 0.5385981767652899
Energy: 0.5457767337599737
Energy: 0.5684320828597202
Energy: 0.5457284180218129
Energy: 0.5684321927775667
Energy: 0.5677060865953744
Energy: 0.5376413022191064
Energy: 0.5443222345573
Energy: 0.5377482642201841
Energy: 0.5603761766813874
Energy: 0.585331946713786
Energy: 0.6426635016235711
Energy: 0.5853319467045857
Energy: 0.5668130310076177
Energy: 0.5678088885796521
Energy: 0.6072450977231052
Energy: 0.5678088822184671
Energy: 0.5779041965980477
Energy: 0.5780012319092945
Energy: 0.5812206879128424
Energy: 0.578001231906666
Energy: 0.5985155276920232
Energy: 0.5781715269190472
Energy: 0.5700553827185979
Energy: 0.5781715255869063
Energy: 0.5439241914663305
Energy: 0.5699660119820614
Energy: 0.5636514675772512
Energy: 0.5699660122106367
Energy: 0.5607203482140775
Energy: 0.5714478444866786
Energy: 0.5712164187116183
Energy: 0.5714478444255918
Energy: 0.5343437362074734
Energy: 0.5396126284632499
Energy: 0.5433731673598439
Energy: 0.5396126459066312
Energy: 0.5625004331415703
Energy: 0.537922164592883
Energy: 0.5450089270665271
Energy: 0.5379220981622268
Energy: 0.5418535663319465
Energy: 0.5449426103848771
Energy: 0.5673681028229348
Energy: 0.5449480781807877

minimum gb energy = 0.5343437362074734 eV
minimum distance =  2.66103326403087 Angstroms
sigma value = 25


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

Energy: 0.795844738229591
Energy: 0.5565621800151153
Energy: 0.5870763241843886
Energy: 0.556562193734789
Energy: 0.5647675822654432
Energy: 0.6101730269185394
Energy: 0.5673958931486145
Energy: 0.6101730265077289
Energy: 0.5876246427671259
Energy: 0.5918293018699572
Energy: 0.723710082032674
Energy: 0.5918296635716396
Energy: 0.5638590769820403
Energy: 0.559856707901861
Energy: 0.562374222471393
Energy: 0.5598437014049495
Energy: 0.5590176800345791
Energy: 0.5621420826927762
Energy: 0.5583764393047148
Energy: 0.5621048868092011
Energy: 0.5788492477594094
Energy: 0.5599127904199542
Energy: 0.5627803495586468
Energy: 0.5592036535616531
Energy: 0.594698271222707
Energy: 0.6125559241155644
Energy: 0.6030549088483816
Energy: 0.6125559241163284
Energy: 0.5815074705502753
Energy: 0.601312448202371
Energy: 0.5690654653015893
Energy: 0.6013124926120575
Energy: 0.6086929443384089
Energy: 0.6050738436961827
Energy: 0.5689233232847812
Energy: 0.6050738436954187
Energy: 0.5793997879664363
Energy: 0.6004107071929521
Energy: 0.5637775387315845
Energy: 0.6004107056306186
Energy: 0.5538565710453095
Energy: 0.5631840914263113
Energy: 0.5588570104820417
Energy: 0.5631840909612782
Energy: 0.5571222951939132
Energy: 0.5615987002314359
Energy: 0.567775910619426
Energy: 0.5615980625991372
Energy: 0.5856777123773103
Energy: 0.588984223610362
Energy: 0.5600153575034815
Energy: 0.5892128289315343
Energy: 0.5677903987571247
Energy: 0.5651729772659368
Energy: 0.5742458291971274
Energy: 0.5652280185228479
Energy: 0.5600430955775079
Energy: 0.5904323355639497
Energy: 0.5917402557567585
Energy: 0.5904322815893641
Energy: 0.5923129448190404
Energy: 0.5630361681584268
Energy: 0.6045822289524858
Energy: 0.5630630657768392
Energy: 0.559361856002318
Energy: 0.5905241492577192
Energy: 0.5654450709624823
Energy: 0.5905241642365798
Energy: 0.5610942153865537
Energy: 0.5594424737654948
Energy: 0.5781381887218507
Energy: 0.5594434959503198
Energy: 0.6066071790064244
Energy: 0.615354891941129
Energy: 0.5930508820088525
Energy: 0.6153548919418929
Energy: 0.5702966407431983
Energy: 0.6035201320374052
Energy: 0.583144550738271
Energy: 0.6035201320572503
Energy: 0.5752826112006606
Energy: 0.6036324069478131
Energy: 0.610110878279437
Energy: 0.6036324069294784
Energy: 0.5808500259695294
Energy: 0.6019232966344681
Energy: 0.5775522147254912
Energy: 0.6019232968345344
Energy: 0.5577887735069252
Energy: 0.5610770496574802
Energy: 0.5591002171973365
Energy: 0.5610741816041726
Energy: 0.5694886499091086
Energy: 0.5623459969531638
Energy: 0.5565273664891549
Energy: 0.5623459968844436
Energy: 0.5543526028409824
Energy: 0.5682206188825568
Energy: 0.588254838469492
Energy: 0.5682206498321887

minimum gb energy = 0.5538565710453095 eV
minimum distance =  2.6517369281455 Angstroms
sigma value = 9


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

Energy: 0.7393091592602758
Energy: 0.5728346396239898
Energy: 0.6092479956936362
Energy: 0.572834647734861
Energy: 0.6010946768681658
Energy: 0.6299173435670804
Energy: 0.5953730677172883
Energy: 0.6299173428510865
Energy: 0.6078145073010235
Energy: 0.6093927023454846
Energy: 0.5859331109821613
Energy: 0.6093927027289885
Energy: 0.5872078071168804
Energy: 0.6630595062313915
Energy: 0.5968615272083185
Energy: 0.6630595062395936
Energy: 0.6685626169878597
Energy: 0.5915189142237889
Energy: 0.5828945628169856
Energy: 0.591518871550614
Energy: 0.5848650504445851
Energy: 0.5878377675629856
Energy: 0.5920079472245298
Energy: 0.5879047497811585
Energy: 0.6020077931564746
Energy: 0.6418101174033946
Energy: 0.5984256262024878
Energy: 0.6418101174043059
Energy: 0.5955804026384272
Energy: 0.6406316754288471
Energy: 0.6300994632253882
Energy: 0.6406316754261132
Energy: 0.5922928575293244
Energy: 0.5935958050689382
Energy: 0.5679238646497242
Energy: 0.593595809128019
Energy: 0.5976347664475081
Energy: 0.5944673641013162
Energy: 0.5675270497296514
Energy: 0.5944674835053009
Energy: 0.5661021070933745
Energy: 0.6107437072928987
Energy: 0.6070307701854685
Energy: 0.6107437073393558
Energy: 0.598963104747988
Energy: 0.5948119480833596
Energy: 0.5946055991997987
Energy: 0.5948108279440251
Energy: 0.6116469923421944
Energy: 0.6113209279084054
Energy: 0.5836781352624012
Energy: 0.6113209160527171
Energy: 0.6137728044221751
Energy: 0.5934067995277936
Energy: 0.6121837016266823
Energy: 0.5933665661631707
Energy: 0.5915035158605998
Energy: 0.6186515771962668
Energy: 0.5874473776215998
Energy: 0.6186515701839823
Energy: 0.5860265853130285
Energy: 0.5952350745457783
Energy: 0.5884837669266665
Energy: 0.5952351020229122
Energy: 0.5956780662892336
Energy: 0.6468070759301338
Energy: 0.5981550520667976
Energy: 0.6468070759310451
Energy: 0.5958732126725772
Energy: 0.6395652482841955
Energy: 0.5953286971710283
Energy: 0.6395652482832842
Energy: 0.5856623597823585
Energy: 0.5950508259656871
Energy: 0.5699719692519715
Energy: 0.5950508260913885
Energy: 0.5923997760823956
Energy: 0.5938398096092159
Energy: 0.5662571959337764
Energy: 0.5938397939139942
Energy: 0.5668931673966121
Energy: 0.6008286238931739
Energy: 0.6096669031979928
Energy: 0.6008286235215173

minimum gb energy = 0.5661021070933745 eV
minimum distance =  2.65239591681782 Angstroms
sigma value = 25


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

Energy: 0.6576640176200743
Energy: 0.5876081877645611
Energy: 0.6300955730539548
Energy: 0.5876081877623072
Energy: 0.6597086872997012
Energy: 0.6225519163122172
Energy: 0.6016772647331862
Energy: 0.6225519163302499
Energy: 0.6280194411216851
Energy: 0.6312284508638885
Energy: 0.5823947678299441
Energy: 0.6311736898340431
Energy: 0.5797835058799862
Energy: 0.6219700988407513
Energy: 0.5982006139181988
Energy: 0.6219700990897237
Energy: 0.6113463662931441
Energy: 0.6421238047678262
Energy: 0.6007428179559764
Energy: 0.6421238047633181
Energy: 0.5796914812394348
Energy: 0.6382987399681245
Energy: 0.5920626427276162
Energy: 0.6382987407240321
Energy: 0.6446389299623275
Energy: 0.6393149836650689
Energy: 0.6128253522687442
Energy: 0.6393149836650689
Energy: 0.5798920360947427
Energy: 0.6477147201978591
Energy: 0.6003456919828607
Energy: 0.6477147201066205
Energy: 0.6265796898362621
Energy: 0.6296923731789961
Energy: 0.5752395746502608
Energy: 0.6296924612672744
Energy: 0.5960918441221609
Energy: 0.6404707342350963
Energy: 0.5742748366737265
Energy: 0.6404707347431585
Energy: 0.5793207486803831
Energy: 0.6300449620444107
Energy: 0.6319830896870293
Energy: 0.6300507250496704
Energy: 0.6296034769172036
Energy: 0.62534995386188
Energy: 0.6360867142224875
Energy: 0.625349904657085
Energy: 0.5938082595158228
Energy: 0.6522569857739909
Energy: 0.6166422280866873
Energy: 0.652256985771737
Energy: 0.5993129074458315
Energy: 0.6392676092486962
Energy: 0.5821952525058135
Energy: 0.6392676543709341
Energy: 0.6150107815924842
Energy: 0.64107288181107
Energy: 0.5801160134904482
Energy: 0.64107288181107
Energy: 0.5921764284186238
Energy: 0.6438103806006565
Energy: 0.5806178944536314
Energy: 0.6438103794403225
Energy: 0.5732650777653118
Energy: 0.6270949015706205
Energy: 0.6305967723419008
Energy: 0.6270948766956214

minimum gb energy = 0.5732650777653118 eV
minimum distance =  2.6538414718822 Angstroms
sigma value = 17


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

Energy: 0.9360303381733238
Energy: 0.6409014154914479
Energy: 0.6713004955954295
Energy: 0.6409030709040361
Energy: 0.6278301806936882
Energy: 0.6347769855482236
Energy: 0.6805227776204175
Energy: 0.6305518103448995
Energy: 0.6192436240871843
Energy: 0.6197452651634718
Energy: 0.6684850660295104
Energy: 0.619745267233823
Energy: 0.6242695573634898
Energy: 0.6530497095097586
Energy: 0.6263448913286036
Energy: 0.6530497342392229
Energy: 0.6682341723512484
Energy: 0.6676948349167019
Energy: 0.6200683175098569
Energy: 0.6676948349198933
Energy: 0.6288535872020906
Energy: 0.6721967151998842
Energy: 0.6408321250626607
Energy: 0.6721967152158418
Energy: 0.6702719791735753
Energy: 0.6182143860905547
Energy: 0.6176254235026106
Energy: 0.6182175031000504
Energy: 0.6686775524329418
Energy: 0.637930402491746
Energy: 0.6311984477770904
Energy: 0.6379303963400255
Energy: 0.6771276674379314
Energy: 0.6736029659654494
Energy: 0.6596152664046643
Energy: 0.673595430393772
Energy: 0.6803667950395216
Energy: 0.6557808552550869
Energy: 0.6724827742357866
Energy: 0.6557689005138283
Energy: 0.6919784702659595
Energy: 0.6181737126879986
Energy: 0.6021781674525293
Energy: 0.6181685524329376
Energy: 0.6689064841185842
Energy: 0.6201053160508213
Energy: 0.6063129589299818
Energy: 0.6201071098119423
Energy: 0.677696123506412
Energy: 0.625333329946411
Energy: 0.6158224159413902
Energy: 0.6253289176272264
Energy: 0.6694513175212015
Energy: 0.6317605837415737
Energy: 0.6006662188697918
Energy: 0.6317604125996872
Energy: 0.678332555590114
Energy: 0.6749464653329279
Energy: 0.6685815980469885
Energy: 0.6749464550564337
Energy: 0.6785138137937229
Energy: 0.6679205754689815
Energy: 0.6675416862270668
Energy: 0.6679194289336233
Energy: 0.6773653460157303
Energy: 0.6348401178759412
Energy: 0.6313712789133094
Energy: 0.6348396922603186
Energy: 0.6767005718342819
Energy: 0.6349467566956561
Energy: 0.616458179722588
Energy: 0.6349417365481342
Energy: 0.6314072500084652
Energy: 0.6744234414593195
Energy: 0.6525076879878291
Energy: 0.6744234414746098
Energy: 0.6360442424807939
Energy: 0.6684733207994964
Energy: 0.6396900566533912
Energy: 0.6684733208269142
Energy: 0.6223530016516677
Energy: 0.6453893225280344
Energy: 0.6696526251382972
Energy: 0.6453893263465409
Energy: 0.621000286738883
Energy: 0.6172448117609913
Energy: 0.6726687690906935
Energy: 0.6172449619542891
Energy: 0.6329788449747336
Energy: 0.6549346530156496
Energy: 0.6532713707569038
Energy: 0.6549346523266062
Energy: 0.6731804888540719
Energy: 0.6710155688355227
Energy: 0.6702909997836213
Energy: 0.6710154214080314
Energy: 0.609239819949692
Energy: 0.6343452282663995
Energy: 0.6748109679696088
Energy: 0.6343431367447598
Energy: 0.6122907105669496
Energy: 0.6241972425734914
Energy: 0.6644008164933797
Energy: 0.6241972404737784
Energy: 0.6015502199978557
Energy: 0.6053187574341952
Energy: 0.6636093781546337
Energy: 0.6053827864395668
Energy: 0.609482728806394
Energy: 0.6222362215856629
Energy: 0.6690982733411628
Energy: 0.6222362477104775
Energy: 0.607439787540358
Energy: 0.6354615338854283
Energy: 0.6579662448784824
Energy: 0.6354848533044788
Energy: 0.6712545093804877
Energy: 0.6745994338928725
Energy: 0.6696090230618702
Energy: 0.674599461795204

minimum gb energy = 0.6006662188697918 eV
minimum distance =  2.67927496570651 Angstroms
sigma value = 53


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

Energy: 0.8442451164115029
Energy: 0.5630390781311531
Energy: 0.6233526619812905
Energy: 0.563039094045391
Energy: 0.7477594551978083
Energy: 0.5907013015703536
Energy: 0.6401278933027417
Energy: 0.5907013022333703
Energy: 0.619050479435586
Energy: 0.6254903239163746
Energy: 0.6924952021349469
Energy: 0.6254921032202846
Energy: 0.6407806604729458
Energy: 0.5887513951014036
Energy: 0.6700247320705373
Energy: 0.5887513951332646
Energy: 0.6833562625625984
Energy: 0.5968860044032843
Energy: 0.5508587383777367
Energy: 0.5968860043962375
Energy: 0.665712480406266
Energy: 0.5909405973512715
Energy: 0.5481156022478879
Energy: 0.5909405973503864
Energy: 0.7979637378694653
Energy: 0.6293132116217935
Energy: 0.6244697315685852
Energy: 0.6293138028260558
Energy: 0.7095953672855592
Energy: 0.5905974617363382
Energy: 0.6289312047196758
Energy: 0.5905974609061521
Energy: 0.6202870842787398
Energy: 0.6271063589067836
Energy: 0.6855121472322779
Energy: 0.6271038206529952
Energy: 0.6302317392024993
Energy: 0.5891545224938772
Energy: 0.6806337072461541
Energy: 0.5891545224934264
Energy: 0.6869997241685216
Energy: 0.5930938573153106
Energy: 0.5486134286584917
Energy: 0.5930938572906469
Energy: 0.6697222544989028
Energy: 0.5880559125404474
Energy: 0.5522011200384339
Energy: 0.5880559125532216
Energy: 0.7662426342007261
Energy: 0.5891372665937795
Energy: 0.6289536725245137
Energy: 0.5891372665912746

minimum gb energy = 0.5481156022478879 eV
minimum distance =  2.70357103740672 Angstroms
sigma value = 9


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

Energy: 0.8256574194997879
Energy: 0.6599318588842029
Energy: 0.6922771335053672
Energy: 0.6603414829074922
Energy: 0.6273220358017383
Energy: 0.6172031605046246
Energy: 0.7241528154828366
Energy: 0.6172034098489392
Energy: 0.6034892157444864
Energy: 0.6100739290707707
Energy: 0.7519528312776508
Energy: 0.6100739683109119
Energy: 0.6022838824148807
Energy: 0.6137271488984302
Energy: 0.8067482574603487
Energy: 0.6136211269017776
Energy: 0.6034945978145345
Energy: 0.6147008323387082
Energy: 0.8017472751721043
Energy: 0.6146986208710269
Energy: 0.6125787924098649
Energy: 0.6167266073852894
Energy: 0.7954814992385647
Energy: 0.6173807509065717
Energy: 0.7604941637810333
Energy: 0.6980077256589106
Energy: 0.7031212525521882
Energy: 0.6980079445639991
Energy: 0.7451891670299872
Energy: 0.6156215108381248
Energy: 0.6970924024326837
Energy: 0.6165343544105112
Energy: 0.6411308477014336
Energy: 0.6731275063159278
Energy: 0.6517757411741057
Energy: 0.6731275062952604
Energy: 0.6097898612461962
Energy: 0.6410303500583345
Energy: 0.7334727721076113
Energy: 0.6410293489452121
Energy: 0.6364146621157376
Energy: 0.6364803522815679
Energy: 0.6999566549725349
Energy: 0.6364773348941106
Energy: 0.6370460432062752
Energy: 0.6381931765730213
Energy: 0.8107711761869325
Energy: 0.6381932028675847
Energy: 0.7700202854999508
Energy: 0.6337277612791159
Energy: 0.6562864588774456
Energy: 0.6337418447014954
Energy: 0.7391360375499718
Energy: 0.6352783474244033
Energy: 0.6278026667232579
Energy: 0.6352783488748238
Energy: 0.7318265336896399
Energy: 0.6418911336470864
Energy: 0.6441145497217566
Energy: 0.6418910136618863
Energy: 0.692200122997054
Energy: 0.6667809285922593
Energy: 0.645742326615059
Energy: 0.6667808210144459
Energy: 0.7223385417064424
Energy: 0.6152342512615467
Energy: 0.6344882777636536
Energy: 0.6157447244550524
Energy: 0.6928838933254768
Energy: 0.6971337017935473
Energy: 0.8240751278358718
Energy: 0.6955440175216898
Energy: 0.7042765344544873
Energy: 0.6125431836315206
Energy: 0.6498717419827744
Energy: 0.6113406172224715
Energy: 0.7688910367297765
Energy: 0.6087409215932441
Energy: 0.6038775971473167
Energy: 0.6087460217215253
Energy: 0.7704437824861957
Energy: 0.6132107019851476
Energy: 0.6036924347274599
Energy: 0.6099656972308487
Energy: 0.7986190873025536
Energy: 0.613761976938691
Energy: 0.6071895905528858
Energy: 0.6137172628435128
Energy: 0.8022030295600684
Energy: 0.6153811774978485
Energy: 0.6111463726516683
Energy: 0.6153701834359203
Energy: 0.7058859418165405
Energy: 0.6937122285755428
Energy: 0.715918245312771
Energy: 0.6936738468200551
Energy: 0.6963372457432756
Energy: 0.6092652301477953
Energy: 0.744504208176019
Energy: 0.608509498047039
Energy: 0.6480665037493858
Energy: 0.6448129078569621
Energy: 0.6416519264114937
Energy: 0.6447852136939052
Energy: 0.7351886286908225
Energy: 0.6152710805413858
Energy: 0.6111422593439716
Energy: 0.6159166158176657
Energy: 0.7326982815612368
Energy: 0.6340925191002686
Energy: 0.6399810456338519
Energy: 0.6340927067169666
Energy: 0.8086700536590721
Energy: 0.6371891173672533
Energy: 0.6383767480919889
Energy: 0.6371659648189357
Energy: 0.6497958490242103
Energy: 0.6339113061295059
Energy: 0.7623055790368224
Energy: 0.6339117675459622
Energy: 0.629217616826994
Energy: 0.6362102196874867
Energy: 0.7509862499763009
Energy: 0.636210446480173
Energy: 0.6437375728146725
Energy: 0.6376976257752386
Energy: 0.7320704247457525
Energy: 0.6376943921557484
Energy: 0.6476802750279803
Energy: 0.6719094762770735
Energy: 0.6917663571565023
Energy: 0.671909476275442
Energy: 0.6372871622343831
Energy: 0.6191462620317862
Energy: 0.6817227563356428
Energy: 0.6191468804126139
Energy: 0.8080057128040707
Energy: 0.700489492635471
Energy: 0.691774460721307
Energy: 0.7004815779631262

minimum gb energy = 0.6022838824148807 eV
minimum distance =  2.67712326877917 Angstroms
sigma value = 73


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

Energy: 0.8407822261158155
Energy: 0.6392083845464225
Energy: 0.673377570701349
Energy: 0.6392083584629051
Energy: 0.6481692527220965
Energy: 0.6549962172202888
Energy: 0.7097104636900011
Energy: 0.6549962187038184
Energy: 0.6147561925262435
Energy: 0.617939679576111
Energy: 0.7421512849215198
Energy: 0.6179340193767435
Energy: 0.6120941115939322
Energy: 0.6187196841163874
Energy: 0.7828373500991094
Energy: 0.6192920821236064
Energy: 0.6154401520146803
Energy: 0.6229619091301051
Energy: 0.7402169390317318
Energy: 0.6229613962366751
Energy: 0.6379089050425346
Energy: 0.6264152032729684
Energy: 0.7459135832464381
Energy: 0.6267922195767761
Energy: 0.6457434102600547
Energy: 0.7144963222491599
Energy: 0.6938879879190996
Energy: 0.7144963058586535
Energy: 0.6779918170919059
Energy: 0.6387089454600497
Energy: 0.6998000720486122
Energy: 0.6379747390360095
Energy: 0.6362547589265853
Energy: 0.6277360992042917
Energy: 0.7315534881042651
Energy: 0.6277336416433159
Energy: 0.6540238541738738
Energy: 0.6783078140327929
Energy: 0.7238654194059586
Energy: 0.6783078140353817
Energy: 0.6315192881994407
Energy: 0.6425408104168446
Energy: 0.6075188975965177
Energy: 0.6425408104297881
Energy: 0.6304668192606466
Energy: 0.6002500808745537
Energy: 0.7689044893338449
Energy: 0.600249695278133
Energy: 0.7213154791890337
Energy: 0.6453757971916868
Energy: 0.6553585288959046
Energy: 0.6453757971916868
Energy: 0.7271944790111133
Energy: 0.6526125164295081
Energy: 0.6424991473363265
Energy: 0.6526125164864206
Energy: 0.7216595321274762
Energy: 0.6540218376361533
Energy: 0.6363746333629082
Energy: 0.6540218376240923
Energy: 0.7439372582267497
Energy: 0.6343754761667935
Energy: 0.6309206117020347
Energy: 0.6343782533188467
Energy: 0.7619177445392856
Energy: 0.659017180817015
Energy: 0.6485378588200804
Energy: 0.6590171775196004
Energy: 0.6775962079755372
Energy: 0.6781671155924893
Energy: 0.6454038510811068
Energy: 0.6781670982609851
Energy: 0.6886769806712473
Energy: 0.6615243094934288
Energy: 0.678972676209029
Energy: 0.6615243094477142
Energy: 0.7119334648262483
Energy: 0.6574710893290155
Energy: 0.6912905426148499
Energy: 0.657471090420963
Energy: 0.69950673645149
Energy: 0.6533022413182485
Energy: 0.6440660441207241
Energy: 0.6533017488294999
Energy: 0.746494327275632
Energy: 0.6585860230388816
Energy: 0.6738523695442076
Energy: 0.6585860492560904

minimum gb energy = 0.600249695278133 eV
minimum distance =  2.65851433003713 Angstroms
sigma value = 7


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

Energy: 0.9222846155816254
Energy: 0.6382166996382811
Energy: 0.6797135094811358
Energy: 0.6382164682380128
Energy: 0.6177079537639085
Energy: 0.6531727279730535
Energy: 0.726350181921435
Energy: 0.6531727531495258
Energy: 0.6155054076191457
Energy: 0.6178017731219723
Energy: 0.6839110657970866
Energy: 0.6179005271892698
Energy: 0.6111796900264799
Energy: 0.6466471346650406
Energy: 0.6997940558552027
Energy: 0.6466471346479838
Energy: 0.6184731110622786
Energy: 0.6225527535285607
Energy: 0.7378621367963138
Energy: 0.6225532654823723
Energy: 0.6339740636598042
Energy: 0.6577633448373982
Energy: 0.7363724187353913
Energy: 0.6577633448813025
Energy: 0.7068151586869224
Energy: 0.6197399572164491
Energy: 0.634041874823074
Energy: 0.6197644396433395
Energy: 0.7222467844912089
Energy: 0.651754575953297
Energy: 0.6180256166994328
Energy: 0.6517545758606073
Energy: 0.7066480550407847
Energy: 0.6425148550987466
Energy: 0.6147246835378383
Energy: 0.6425148550359272
Energy: 0.754455483320632
Energy: 0.6423654725968847
Energy: 0.6178290874006416
Energy: 0.6423654815458832
Energy: 0.6979785136956743
Energy: 0.6539814727232306
Energy: 0.6235555166051872
Energy: 0.6539813553910135
Energy: 0.6767822827916015
Energy: 0.6946857189367244
Energy: 0.7268615279973835
Energy: 0.6946857298208919
Energy: 0.6787779033543924
Energy: 0.6615261276190352
Energy: 0.6941465670286104
Energy: 0.6615261222214519
Energy: 0.6832641057943647
Energy: 0.6534511739335923
Energy: 0.619257941383339
Energy: 0.6534511740073947
Energy: 0.6902147508383291
Energy: 0.6606391733948819
Energy: 0.6167474486901301
Energy: 0.660639173414407
Energy: 0.6323354018650896
Energy: 0.6876494921747822
Energy: 0.6784597758388659
Energy: 0.6876488848730318
Energy: 0.6505410754274159
Energy: 0.6523010352613322
Energy: 0.6991909693601687
Energy: 0.6523019618291023
Energy: 0.6174548270820892
Energy: 0.6410427461508658
Energy: 0.688640693301227
Energy: 0.6410428959801039
Energy: 0.6140472784971954
Energy: 0.6458924526872506
Energy: 0.7158931655175733
Energy: 0.6458924518712092
Energy: 0.6198608434783263
Energy: 0.6559825595939688
Energy: 0.6430555528438704
Energy: 0.6559825595994602
Energy: 0.6335705373027624
Energy: 0.6173028169560867
Energy: 0.74289748351205
Energy: 0.6170258185655297
Energy: 0.7058081585265066
Energy: 0.6590452132812112
Energy: 0.6388422187559568
Energy: 0.659045213301929
Energy: 0.7302584722700693
Energy: 0.6189100683352292
Energy: 0.6181667359067823
Energy: 0.6202072552977235
Energy: 0.741646766232101
Energy: 0.6353180616568176
Energy: 0.6107302373736793
Energy: 0.6154669452150592
Energy: 0.7485012420586965
Energy: 0.6192990335375508
Energy: 0.617711744647169
Energy: 0.6210720739051816
Energy: 0.7375321709100767
Energy: 0.6489313794306716
Energy: 0.637560646478391
Energy: 0.6489315317586503
Energy: 0.6792573095706063
Energy: 0.6808479813620727
Energy: 0.8335487781121208
Energy: 0.680848158923241
Energy: 0.6788782247219793
Energy: 0.6541698222062788
Energy: 0.63755823780106
Energy: 0.6541698233699484
Energy: 0.686914232612722
Energy: 0.658032918916027
Energy: 0.6802194080698991
Energy: 0.6580329182731894
Energy: 0.6894513872805057
Energy: 0.6896600277582433
Energy: 0.619207563492444
Energy: 0.6896600278558421
Energy: 0.6297312880146798
Energy: 0.6869091515565227
Energy: 0.6788889026890911
Energy: 0.6869091293819558

minimum gb energy = 0.6107302373736793 eV
minimum distance =  2.65554779119992 Angstroms
sigma value = 29


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

Energy: 0.5669475252334693
Energy: 0.5999197497873223
Energy: 0.6137384019915464
Energy: 0.5999197497875347
Energy: 0.5794356922429577
Energy: 0.6068573851980035
Energy: 0.60510398589773
Energy: 0.6068573852183601
Energy: 0.6053010754963025
Energy: 0.6286327921771255
Energy: 0.57463431368898
Energy: 0.6286327923960634
Energy: 0.588413254010795
Energy: 0.5967501264197956
Energy: 0.5908664721709288
Energy: 0.5967501264322645
Energy: 0.572542131423504
Energy: 0.6138770557319857
Energy: 0.5678031490067896
Energy: 0.6138770549110455
Energy: 0.58837779243785
Energy: 0.618931629752058
Energy: 0.5685533758005894
Energy: 0.6189316297489643
Energy: 0.5677611474118163
Energy: 0.6255879470751263
Energy: 0.591502186067103
Energy: 0.6255879436595446
Energy: 0.6024682593394991
Energy: 0.600052547461846
Energy: 0.576637226366597
Energy: 0.6000463853860855
Energy: 0.5765036947244008
Energy: 0.6028674340160733
Energy: 0.580188895965816
Energy: 0.6028674339874042

minimum gb energy = 0.5669475252334693 eV
minimum distance =  2.72544440538561 Angstroms
sigma value = 5


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

Energy: 0.7526571937887881
Energy: 0.6009157420830604
Energy: 0.6478521637900381
Energy: 0.6009010139928854
Energy: 0.6852251403091566
Energy: 0.5901109074681512
Energy: 0.6733116318535934
Energy: 0.5900807834088464
Energy: 0.6726022505676267
Energy: 0.6377246047704854
Energy: 0.6759444865979259
Energy: 0.6377246054635765
Energy: 0.6022907763937773
Energy: 0.6358804464727941
Energy: 0.6683650514293625
Energy: 0.6358807586292066
Energy: 0.6101232432692637
Energy: 0.601730621522237
Energy: 0.6714396516691855
Energy: 0.6017305021053696
Energy: 0.5997340725641557
Energy: 0.6047239166110944
Energy: 0.6715155266747496
Energy: 0.6047240586440854
Energy: 0.5847553607720783
Energy: 0.6087949134075542
Energy: 0.6760073400229853
Energy: 0.6087949135976795
Energy: 0.5952251743111131
Energy: 0.593522184817332
Energy: 0.7478402285785468
Energy: 0.5935213110575568
Energy: 0.5948599656986611
Energy: 0.6017106003799328
Energy: 0.7274285760236093
Energy: 0.601711049528883
Energy: 0.6761938603513397
Energy: 0.5778145664237038
Energy: 0.5916167923625069
Energy: 0.5778160724490498
Energy: 0.6489807376246451
Energy: 0.5729693049668309
Energy: 0.5715561521628546
Energy: 0.5729692960629085
Energy: 0.7327208141917956
Energy: 0.581430404483848
Energy: 0.5661841811310778
Energy: 0.5814303337767087
Energy: 0.7429196035530348
Energy: 0.5744388845950857
Energy: 0.5787817173928353
Energy: 0.5744447862947389
Energy: 0.6054073452017515
Energy: 0.5972066065058941
Energy: 0.6723019759684504
Energy: 0.5972066067951035
Energy: 0.5847099405977874
Energy: 0.5982904468848524
Energy: 0.672053753247741
Energy: 0.5982904319731621
Energy: 0.5908316476653057
Energy: 0.5904577755375996
Energy: 0.6904420355731685
Energy: 0.5894406111132298
Energy: 0.6181175685709478
Energy: 0.6035877223862339
Energy: 0.6026853934041078
Energy: 0.6007127982011957
Energy: 0.6765905689803452
Energy: 0.5909823406784489
Energy: 0.5741731814205505
Energy: 0.5910002321387591
Energy: 0.6778159586030292
Energy: 0.6386908378370223
Energy: 0.6753767686664949
Energy: 0.6386908376549663
Energy: 0.6798443752822868
Energy: 0.6401591311124664
Energy: 0.6016985374015509
Energy: 0.6401591597352315
Energy: 0.6688372055052668
Energy: 0.5981415620215006
Energy: 0.6676950358882264
Energy: 0.598197535169114
Energy: 0.673640521934146
Energy: 0.604245012105771
Energy: 0.6010674651391649
Energy: 0.6042450749033399
Energy: 0.6689762845626994
Energy: 0.5940193710006716
Energy: 0.5849322185828761
Energy: 0.5940201646833334
Energy: 0.7452673695728053
Energy: 0.5957509435504813
Energy: 0.5933742944222795
Energy: 0.5957605664892713
Energy: 0.7310610217210423
Energy: 0.6024746048358253
Energy: 0.6485337739880621
Energy: 0.6024746138814835
Energy: 0.5713675276169711
Energy: 0.5756871627154981
Energy: 0.6764035341531777
Energy: 0.5756716079010635
Energy: 0.5768893207377508
Energy: 0.5783659533017974
Energy: 0.5963591084476807
Energy: 0.5783668279032897
Energy: 0.5811865404557732
Energy: 0.5732851842040672
Energy: 0.6159366989656205
Energy: 0.5729819407006754
Energy: 0.5748326179343721
Energy: 0.5789146955809499
Energy: 0.7475822110139455
Energy: 0.579623411771173
Energy: 0.6723109328252139
Energy: 0.6021758890682576
Energy: 0.6063051781010064
Energy: 0.6021758894755714
Energy: 0.6708319770860967
Energy: 0.5927596682666766
Energy: 0.5871061907171713
Energy: 0.5927648533004649
Energy: 0.6932964639063115
Energy: 0.592201002504002
Energy: 0.5874398624069025
Energy: 0.592202248336616
Energy: 0.6037071060712851
Energy: 0.5898150451525285
Energy: 0.6215890319607215
Energy: 0.5921536083699331

minimum gb energy = 0.5661841811310778 eV
minimum distance =  2.64925468532834 Angstroms
sigma value = 1


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

Energy: 0.7881774127724209
Energy: 0.5503446745961189
Energy: 0.6334802657012559
Energy: 0.5503446641991517
Energy: 0.5918530256526846
Energy: 0.5653460305020778
Energy: 0.6675551097685172
Energy: 0.5653458700675864
Energy: 0.5918126870855162
Energy: 0.6219541751040253
Energy: 0.6736259574833853
Energy: 0.6219541751096039
Energy: 0.5777573106976557
Energy: 0.6238401831507421
Energy: 0.5893156358384531
Energy: 0.6238401831555237
Energy: 0.5887838729023519
Energy: 0.5774068750530973
Energy: 0.5844148243673157
Energy: 0.5774068774030209
Energy: 0.5724421686230274
Energy: 0.5718326878219744
Energy: 0.6560738692767226
Energy: 0.5718326883238255
Energy: 0.5576251859290371
Energy: 0.562585813100215
Energy: 0.5866373768504527
Energy: 0.5625858229993338
Energy: 0.5708752704652519
Energy: 0.5654593245593195
Energy: 0.7829749271448082
Energy: 0.5654593300788137
Energy: 0.5885253480544809
Energy: 0.5878724536003405
Energy: 0.5576009470773989
Energy: 0.5878724536345905
Energy: 0.6820856221836492
Energy: 0.5653698804195213
Energy: 0.5702901295447125
Energy: 0.5653713395748424
Energy: 0.5875586440579887
Energy: 0.5627059968986541
Energy: 0.5603386353795874
Energy: 0.5627059957890137
Energy: 0.54138842979577
Energy: 0.5681340832661912
Energy: 0.5745863924173228
Energy: 0.5681353132325694
Energy: 0.7370177218783283
Energy: 0.5632413917404417
Energy: 0.5859859210906543
Energy: 0.5632383221934512
Energy: 0.5877604060464962
Energy: 0.6230647340963975
Energy: 0.6769834594273995
Energy: 0.6230647341298506
Energy: 0.5807530782894228
Energy: 0.6214570897888165
Energy: 0.6667569294585252
Energy: 0.6214570898286451
Energy: 0.5850678487124826
Energy: 0.5636335488445591
Energy: 0.5804680507860254
Energy: 0.5636351789117745
Energy: 0.5875737811500168
Energy: 0.5743243356234448
Energy: 0.6615569192825687
Energy: 0.57432651129807
Energy: 0.5653414407195744
Energy: 0.5641455802684424
Energy: 0.5708757691305358
Energy: 0.5641457351953755
Energy: 0.5584435309930111
Energy: 0.5638862133569916
Energy: 0.5598623357338831
Energy: 0.5638862148306679
Energy: 0.5809358018175673
Energy: 0.5768033718608667
Energy: 0.7855296043007375
Energy: 0.5768064049467934
Energy: 0.6679253967550431
Energy: 0.5894897115423448
Energy: 0.5876513771254157
Energy: 0.589489711304967
Energy: 0.6627448691308758
Energy: 0.5651778861710934
Energy: 0.5616221962344518
Energy: 0.5651778867772888
Energy: 0.5760789773124185
Energy: 0.5640909974362146
Energy: 0.5596517565454097
Energy: 0.5640909969550836
Energy: 0.7744108765325894
Energy: 0.562021962328172
Energy: 0.5786349206464761
Energy: 0.5620209004012294

minimum gb energy = 0.54138842979577 eV
minimum distance =  2.65585332084873 Angstroms
sigma value = 17


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

Energy: 0.8323919583905132
Energy: 0.5607751662822671
Energy: 0.6527957409427105
Energy: 0.5607775939373548
Energy: 0.5783809352330975
Energy: 0.5667437288356271
Energy: 0.6361438544245096
Energy: 0.5666359600284245
Energy: 0.6927225726671636
Energy: 0.6437763605593635
Energy: 0.6332329961135479
Energy: 0.6437763585599369
Energy: 0.6945821281998406
Energy: 0.5885858844302431
Energy: 0.656894931710936
Energy: 0.5889434936040616
Energy: 0.6355562062510407
Energy: 0.5539970695064537
Energy: 0.6479235519426287
Energy: 0.55093932822346
Energy: 0.5537142288119405
Energy: 0.5591759219082573
Energy: 0.6462017282943225
Energy: 0.5591845287227879
Energy: 0.5448460812301541
Energy: 0.548656995397145
Energy: 0.6048700784743984
Energy: 0.5486472548966269
Energy: 0.5499700363515515
Energy: 0.5523561663745322
Energy: 0.573097234357738
Energy: 0.5523466184159089
Energy: 0.6412129038857404
Energy: 0.5505967982438063
Energy: 0.6961510071754012
Energy: 0.5499554375035887
Energy: 0.6315200025831739
Energy: 0.6525730709946711
Energy: 0.6419315380627183
Energy: 0.6525730741776958
Energy: 0.6360727906758928
Energy: 0.6464761863745849
Energy: 0.5677627215535526
Energy: 0.6464761864582769
Energy: 0.6382567720502518
Energy: 0.5683603353762382
Energy: 0.6474201202280159
Energy: 0.5683578775420838
Energy: 0.6120333050229674
Energy: 0.5831935642807221
Energy: 0.5750850935222144
Energy: 0.5831940042905953
Energy: 0.580976503410427
Energy: 0.5674603520374042
Energy: 0.5579178613631315
Energy: 0.567460403380184
Energy: 0.6922480366045856
Energy: 0.5646815137450799
Energy: 0.5634719119065325
Energy: 0.563500687210832
Energy: 0.5883885107882076
Energy: 0.5700274722748264
Energy: 0.5884727406279652
Energy: 0.5721691653945075
Energy: 0.5792256624822091
Energy: 0.5772626978660438
Energy: 0.7627353780824848
Energy: 0.5762907354041353
Energy: 0.5594258966042199
Energy: 0.5704562807953762
Energy: 0.6410202657673605
Energy: 0.5704566084632805
Energy: 0.5744747367196121
Energy: 0.573410045995654
Energy: 0.7049313065775864
Energy: 0.5733680772859722
Energy: 0.5803515015951451
Energy: 0.6487804404591739
Energy: 0.8271790811755927
Energy: 0.648769937326485
Energy: 0.6350071796529527
Energy: 0.5689753436289191
Energy: 0.5764788821477751
Energy: 0.5689762323859413
Energy: 0.6337643607785138
Energy: 0.6446894707845742
Energy: 0.6919967697221293
Energy: 0.6446894708220094
Energy: 0.6582938000072163
Energy: 0.5895719348628381
Energy: 0.692674923122825
Energy: 0.5895719492030399
Energy: 0.7543410981929317
Energy: 0.5529303045245566
Energy: 0.6354073869903211
Energy: 0.5513762436971187
Energy: 0.6429859919230503
Energy: 0.5537598830599478
Energy: 0.5521527031111897
Energy: 0.5552593822366773
Energy: 0.6493919235767842
Energy: 0.5542014372052403
Energy: 0.5477018462649221
Energy: 0.5542014636636209
Energy: 0.8305854079333922
Energy: 0.5572326429522613
Energy: 0.5522454392001136
Energy: 0.551213462456182
Energy: 0.7066403341816233
Energy: 0.5544038803864808
Energy: 0.6415064694580801
Energy: 0.5543061263286985
Energy: 0.6397494647661961
Energy: 0.6482399881047252
Energy: 0.6315925689918792
Energy: 0.6482399915034055
Energy: 0.5695208554372705
Energy: 0.5655778162021999
Energy: 0.6345373767822091
Energy: 0.5627818970287466
Energy: 0.6508534070971955
Energy: 0.5738417236158835
Energy: 0.6387000164351202
Energy: 0.5737926392789806
Energy: 0.5736307741269503
Energy: 0.5756675425971234
Energy: 0.6403457293677962
Energy: 0.5756724061900681
Energy: 0.5578298950739382
Energy: 0.5836761793685166
Energy: 0.5902643476882575
Energy: 0.5836761796998811
Energy: 0.5670400387372702
Energy: 0.5737506638984837
Energy: 0.6926964580691117
Energy: 0.5737512667832327
Energy: 0.6004045856121766
Energy: 0.5766424893863725
Energy: 0.5942634704672372
Energy: 0.5766426929879157
Energy: 0.76439890252277
Energy: 0.5778203976888099
Energy: 0.5785539786350113
Energy: 0.577820899787524
Energy: 0.6378954235238413
Energy: 0.5596136599153848
Energy: 0.5582802728623004
Energy: 0.5594006364929811
Energy: 0.6950148579873456
Energy: 0.5676063985858394
Energy: 0.5784877708404921
Energy: 0.5671298943906692

minimum gb energy = 0.5448460812301541 eV
minimum distance =  2.65212821610223 Angstroms
sigma value = 89


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

Energy: 0.8567438438558453
Energy: 0.53930219625242
Energy: 0.620275544863667
Energy: 0.5393021962667142
Energy: 0.513754545399919
Energy: 0.5618709859771531
Energy: 0.5281025278306227
Energy: 0.5618709860383425
Energy: 0.5164887344177786
Energy: 0.5644218647263645
Energy: 0.5308257224226627
Energy: 0.5644218647244311
Energy: 0.5100333988311221
Energy: 0.5640328538205985
Energy: 0.5202017425969455
Energy: 0.5640328538122213
Energy: 0.5282064410144233
Energy: 0.5237735914017622
Energy: 0.5528220153464337
Energy: 0.5237736406838449
Energy: 0.5170928816414708
Energy: 0.5231049557001329
Energy: 0.5578602390492247
Energy: 0.5231049343464901
Energy: 0.5108252713170974
Energy: 0.514168463197773
Energy: 0.5332925595880589
Energy: 0.5141684626310757
Energy: 0.523613369496896
Energy: 0.5254063363771012
Energy: 0.5242947941246017
Energy: 0.5254063365816711
Energy: 0.5171493454113368
Energy: 0.5182387208272953
Energy: 0.5118487625813951
Energy: 0.5182382214182991
Energy: 0.532479329354915
Energy: 0.563604579800742
Energy: 0.5262548434766574
Energy: 0.5636045798008738
Energy: 0.5596244835829826
Energy: 0.5668696792241027
Energy: 0.5083720592656381
Energy: 0.566869677675124
Energy: 0.5592101967875969
Energy: 0.5183728663204579
Energy: 0.5269055883796645
Energy: 0.5183728649407531
Energy: 0.5241223837417391
Energy: 0.5229351301874321
Energy: 0.5349490889223852
Energy: 0.5229351113280838
Energy: 0.5366867579407021
Energy: 0.5122197538644249
Energy: 0.5115708988329936
Energy: 0.5122201481159023
Energy: 0.5171453594748044
Energy: 0.5174116460717886
Energy: 0.5151797858646613
Energy: 0.5174116454815116

minimum gb energy = 0.5083720592656381 eV
minimum distance =  2.67159866544057 Angstroms
sigma value = 13


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

Energy: 0.7635184106354365
Energy: 0.51848847969814
Energy: 0.6087560376018096
Energy: 0.5184883407032483
Energy: 0.5958965980815732
Energy: 0.4983165239069065
Energy: 0.5710730243170702
Energy: 0.49831168970839856
Energy: 0.5090483784171158
Energy: 0.5015946046751868
Energy: 0.562059568391679
Energy: 0.5016604735320583
Energy: 0.6191345313688575
Energy: 0.5677790855107177
Energy: 0.569853660406025
Energy: 0.5636757386036158
Energy: 0.5742779576078741
Energy: 0.5038229768859851
Energy: 0.6859578731701442
Energy: 0.5038257252959064
Energy: 0.5663634023682792
Energy: 0.5055659901339407
Energy: 0.6785156697417064
Energy: 0.5048197100426709
Energy: 0.5648080925977934
Energy: 0.500246878250545
Energy: 0.5834277129972172
Energy: 0.4995208057862645
Energy: 0.5046889127807636
Energy: 0.5126828962488867
Energy: 0.7230546211996084
Energy: 0.5142125528774995
Energy: 0.5050835384789694
Energy: 0.505368505336512
Energy: 0.5755439812444095
Energy: 0.5053675134075205
Energy: 0.49634236717360847
Energy: 0.5065452127492024
Energy: 0.5646387188182195
Energy: 0.5065459658622611
Energy: 0.5129943266062671
Energy: 0.5069024624747865
Energy: 0.7650169509938997
Energy: 0.5007069757839181
Energy: 0.6796039657014263
Energy: 0.502827360551341
Energy: 0.5667701310266495
Energy: 0.5028083686419673
Energy: 0.687423477123152
Energy: 0.5226012254954866
Energy: 0.6784829058806634
Energy: 0.5226012264814305
Energy: 0.5693457633737233
Energy: 0.5238777728343483
Energy: 0.6211305764246394
Energy: 0.5238786392806729
Energy: 0.5684744472647382
Energy: 0.5167177825831246
Energy: 0.5682584314181965
Energy: 0.5167177378418117
Energy: 0.578923303557343
Energy: 0.5053141485902245
Energy: 0.49591318016718183
Energy: 0.5053411177053613
Energy: 0.5682215201542677
Energy: 0.4973340135039461
Energy: 0.4975773195242698
Energy: 0.4975063265305096
Energy: 0.7592350460598584
Energy: 0.49841959146071363
Energy: 0.4981131780067504
Energy: 0.5029910496610063
Energy: 0.6594475336195472
Energy: 0.5025827932832405
Energy: 0.5735937558392523
Energy: 0.5025828643146892
Energy: 0.566550921124116
Energy: 0.5035710802382812
Energy: 0.5586924884457944
Energy: 0.5035720181447687
Energy: 0.617690692901392
Energy: 0.5103714780856448
Energy: 0.5799097421436594
Energy: 0.5103694287344561
Energy: 0.5660084255530009
Energy: 0.5301538859742319
Energy: 0.6763543007047398
Energy: 0.5301538869855646
Energy: 0.5745262545611484
Energy: 0.5047237559615511
Energy: 0.686128490562176
Energy: 0.5039776623208395
Energy: 0.4966242523423457
Energy: 0.49743107262702463
Energy: 0.5690800913783017
Energy: 0.4974122090231758
Energy: 0.586344558104389
Energy: 0.5029499958885779
Energy: 0.6956194551881334
Energy: 0.5029272293842767
Energy: 0.5057083221141212
Energy: 0.5044194668097417
Energy: 0.5975136516727847
Energy: 0.5044225528987338
Energy: 0.49324259836380646
Energy: 0.5014275979526136
Energy: 0.5732505651708667
Energy: 0.5014280060324867
Energy: 0.5045983727435576
Energy: 0.5125151915842018
Energy: 0.7581376643362993
Energy: 0.5125196061133914
Energy: 0.6785086137701712
Energy: 0.5039012177151017
Energy: 0.6628620817990815
Energy: 0.5039011038607738
Energy: 0.5577081805168377
Energy: 0.5227527092300301
Energy: 0.5685180631037327
Energy: 0.5227527076220826
Energy: 0.5674549252020461
Energy: 0.5254691415507491
Energy: 0.6186467875174587
Energy: 0.5254691475296149
Energy: 0.5681876848360957
Energy: 0.5080292931575935
Energy: 0.5689465929121058
Energy: 0.5080527305989544
Energy: 0.5761659171237937
Energy: 0.506838279896734
Energy: 0.5041669632689291
Energy: 0.5068314406163967
Energy: 0.6502302917892256
Energy: 0.5033046416456171
Energy: 0.4939061884077197
Energy: 0.5033046600600611
Energy: 0.6408475607206344
Energy: 0.5071458525166662
Energy: 0.49506962442656555
Energy: 0.5071459148343929

minimum gb energy = 0.49324259836380646 eV
minimum distance =  2.66698748937214 Angstroms
sigma value = 37


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

Energy: 0.6655021310164375
Energy: 0.48998076625499254
Energy: 0.589328217141997
Energy: 0.4899807667947282
Energy: 0.4899807667947282
Energy: 0.4615106349971777
Energy: 0.5719436501157574
Energy: 0.4615106340765875
Energy: 0.6671204210068766
Energy: 0.5104322346260981
Energy: 0.5660567008355482
Energy: 0.5104322220544149
Energy: 0.6686917051106458
Energy: 0.5115296987465984
Energy: 0.5717690083863005
Energy: 0.5120159614642833
Energy: 0.5688101088432264
Energy: 0.5090019734285878
Energy: 0.5590262156859716
Energy: 0.5090019734285878
Energy: 0.5266531529572939
Energy: 0.5698476676094152
Energy: 0.6905285397272563
Energy: 0.5698476676995224
Energy: 0.4535353174594431
Energy: 0.45970927412027457
Energy: 0.6825376516307157
Energy: 0.45970927437110076
Energy: 0.46131728161661134
Energy: 0.46284372586991523
Energy: 0.5683559051956018
Energy: 0.46284316279111587
Energy: 0.46506941586313255
Energy: 0.45970537728728184
Energy: 0.6837694728374073
Energy: 0.459705385879267
Energy: 0.4617371700841625
Energy: 0.45751917712691825
Energy: 0.45751917712691825
Energy: 0.4575191757381121
Energy: 0.589328215986359
Energy: 0.4899807589022471
Energy: 0.6655021310164375
Energy: 0.45899217597578196
Energy: 0.5719436501166868
Energy: 0.46151063312346907
Energy: 0.46151063312346907
Energy: 0.46151063377187856
Energy: 0.5660567008346188
Energy: 0.5104322260944801
Energy: 0.6671204210096647
Energy: 0.5104322345898735
Energy: 0.5717690082980521
Energy: 0.5118540815926711
Energy: 0.6686917051097163
Energy: 0.5133114608968276
Energy: 0.5590262156859716
Energy: 0.509001973300376
Energy: 0.5688099804519838
Energy: 0.5090019732529989
Energy: 0.6505119510027927
Energy: 0.5698476676307698
Energy: 0.5679443078326876
Energy: 0.569847667603839
Energy: 0.6825376511318514
Energy: 0.45970927728896444
Energy: 0.45353531745851366
Energy: 0.45970927993280974
Energy: 0.5673522815083197
Energy: 0.46284119222533604
Energy: 0.4613172782101065
Energy: 0.46284167459289266
Energy: 0.6837694735322645
Energy: 0.4597053797917629
Energy: 0.4650694158612737
Energy: 0.45970538813108425
Energy: 0.45970538813108425
Energy: 0.45751917474040477
Energy: 0.4617371700841625
Energy: 0.4575191746939571

minimum gb energy = 0.45353531745851366 eV
minimum distance =  2.68189475697623 Angstroms
sigma value = 25


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

Energy: 0.7663221011629266
Energy: 0.42173599759896996
Energy: 0.5599558893595529
Energy: 0.42173852710349036
Energy: 0.42173852710349036
Energy: 0.4227730276150532
Energy: 0.49993980661174064
Energy: 0.42277302199900757
Energy: 0.7185397891786014
Energy: 0.41888209579216334
Energy: 0.4964000808484031
Energy: 0.4188823928461076
Energy: 0.568293019695392
Energy: 0.4177112994966461
Energy: 0.512221498475076
Energy: 0.4269731738818445
Energy: 0.595400405018629
Energy: 0.45258819007466555
Energy: 0.6552652075621106
Energy: 0.4525881894029443
Energy: 0.5779412323429387
Energy: 0.45037505518095633
Energy: 0.653654207330007
Energy: 0.45037505485453005
Energy: 0.5722658698738364
Energy: 0.45331259072218866
Energy: 0.5945849527651933
Energy: 0.4533125884030795
Energy: 0.5062326304702084
Energy: 0.42861454739633453
Energy: 0.6532932747826615
Energy: 0.42861469041678724
Energy: 0.4952061532578929
Energy: 0.4191653131160573
Energy: 0.6546535151968568
Energy: 0.4191653041261816
Energy: 0.49802363002930766
Energy: 0.4166728921015713
Energy: 0.7185500768587204
Energy: 0.4166728841141975
Energy: 0.42059334538270177
Energy: 0.43221821078732786
Energy: 0.6664967163506798
Energy: 0.4322274282692667
Energy: 0.41698444764639503
Energy: 0.41847040261129625
Energy: 0.6014009526718532
Energy: 0.4184703975995127
Energy: 0.41327922702008074
Energy: 0.4202956748649231
Energy: 0.5931846739469258
Energy: 0.42029567205544055
Energy: 0.5348084481413343
Energy: 0.42672261194304967
Energy: 0.7318584871333886
Energy: 0.42672278515609186
Energy: 0.4948101926388977
Energy: 0.4208257649888018
Energy: 0.5912198832784976
Energy: 0.4208256921166435
Energy: 0.5021170070831594
Energy: 0.4173115546607577
Energy: 0.7255708241014087
Energy: 0.41731352324079296
Energy: 0.5935778383398954
Energy: 0.42596835518517623
Energy: 0.7353473005212612
Energy: 0.4259738466250674
Energy: 0.4891027822852153
Energy: 0.45484780920266116
Energy: 0.662969298021768
Energy: 0.4548477893898361
Energy: 0.653308097666575
Energy: 0.4514524500532776
Energy: 0.573787057233298
Energy: 0.4514524492401066
Energy: 0.7165641369309214
Energy: 0.45544030632822996
Energy: 0.5778971866792566
Energy: 0.45544029980617046
Energy: 0.6683366178029854
Energy: 0.427666072850584
Energy: 0.5188502028752955
Energy: 0.427667286416854
Energy: 0.657586782441172
Energy: 0.41458817881658877
Energy: 0.41094560668915336
Energy: 0.4146292162491598
Energy: 0.5952437753107144
Energy: 0.418996430414692
Energy: 0.5056957555455008
Energy: 0.41899643655883206
Energy: 0.6644584435526144
Energy: 0.42000222429400136
Energy: 0.41844108489016046
Energy: 0.42261174691386066
Energy: 0.5967981196482796
Energy: 0.41675648862605963
Energy: 0.4148572571155798
Energy: 0.4167564878585926
Energy: 0.7229360579335129
Energy: 0.4185960563224391
Energy: 0.41660600642121864
Energy: 0.4185979972060042

minimum gb energy = 0.41094560668915336 eV
minimum distance =  2.6751772103482 Angstroms
sigma value = 41


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

Energy: 0.8307543513445353
Energy: 0.39399766921741103
Energy: 0.525370498896473
Energy: 0.39396316563412215