Model name: model_name=EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.680044695734978
cohesive_energy=4.26217454226904
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.015906382644479924
Energy: 0.016442135766949563
Energy: 1.3816952863071772
Energy: 0.016442135766949563
Energy: 0.016442135767554805
Energy: 1.6034529890034777
Energy: 0.016442135766949563
Energy: 1.6034529890029061
Energy: 1.3816952863071772
Energy: 0.016442135766949563
Energy: 0.015906382644479924
Energy: 0.016442135767554805
Energy: 0.016442135766949563
Energy: 1.6034529890029061
Energy: 0.016442135767554805
Energy: 1.6034529890034777

minimum gb energy = 0.015906382644479924 eV
minimum distance =  2.56165846910205 Angstroms
sigma value = 1


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

Energy: 1.2446979925473252
Energy: 1.423370216609436
Energy: 1.0233657468305555
Energy: 1.423370216609436
Energy: 1.1871952266233583
Energy: 1.3314148578706506
Energy: 1.1913430076407052
Energy: 1.3314148578699165
Energy: 1.1094528108928425
Energy: 1.403623724842476
Energy: 1.1770404448233418
Energy: 1.4036237248417422
Energy: 1.161179719442106
Energy: 1.4393356814959468
Energy: 1.1827356187766114
Energy: 1.4393356814959468
Energy: 1.165319725649415
Energy: 1.4276880205562932
Energy: 1.164148137735459
Energy: 1.4276880205570273
Energy: 1.1251579724437197
Energy: 1.6394853478303946
Energy: 1.1568460669498533
Energy: 1.6394853478303946
Energy: 1.2030848199123227
Energy: 1.402004108177497
Energy: 1.1263507915887385
Energy: 1.4020041081760286
Energy: 1.0251845857754338
Energy: 1.4309891948995455
Energy: 1.1339460941653565
Energy: 1.4309891948988116
Energy: 1.18162032701503
Energy: 1.5822973229577106
Energy: 1.171958280324238
Energy: 1.5822973229547745
Energy: 1.1579512350192844
Energy: 1.402291155816792
Energy: 0.9906934822188793
Energy: 1.402291155816792
Energy: 1.1767112407288538
Energy: 1.3197479859661851
Energy: 1.1814837973798638
Energy: 1.3197479859661851
Energy: 1.1109804499413298
Energy: 1.4316087478115067
Energy: 1.1916441156263282
Energy: 1.4316087478115067
Energy: 1.1900179780151894
Energy: 1.4004259704682693
Energy: 1.203163722837755
Energy: 1.4004259704682693
Energy: 1.1819561942795755
Energy: 1.4077686597537296
Energy: 1.1701195720978024
Energy: 1.4077686597537296
Energy: 1.1572047722195191
Energy: 1.4239417470237044
Energy: 1.1836009995172436
Energy: 1.4239417470229703
Energy: 1.1676842748745002
Energy: 1.4237371727993369
Energy: 1.184440164113511
Energy: 1.4237371727993369
Energy: 1.1812992053696532
Energy: 1.4035414994451783
Energy: 1.0835350096219734
Energy: 1.4035414994459123
Energy: 1.1920006478149205
Energy: 1.3039359644581405
Energy: 1.1988200214445714
Energy: 1.3039359644559383
Energy: 1.0010737134566827
Energy: 1.4282175095436787
Energy: 1.1955497412184388
Energy: 1.4282175095444127
Energy: 1.1986285827004082
Energy: 1.5384911634275007
Energy: 1.1834248373509864
Energy: 1.5384911634282346
Energy: 1.1577587113281875
Energy: 1.403350892314637
Energy: 1.03200124172474
Energy: 1.403350892314637
Energy: 1.182490165820971
Energy: 1.1963499380195497
Energy: 1.165929453447018
Energy: 1.1963499380180818
Energy: 1.1646422055659507
Energy: 1.4280586401845712
Energy: 1.0905904040463925
Energy: 1.4280586401845712
Energy: 1.1594828286345797
Energy: 1.4009346998857257
Energy: 1.124914625751855
Energy: 1.4009346998849916
Energy: 1.1262945795770032
Energy: 1.6379958017067697
Energy: 1.2030719030189188
Energy: 1.6379958017067697
Energy: 1.1725220256970168
Energy: 1.4319709584731926
Energy: 1.0974040365126123
Energy: 1.4319709584746605
Energy: 1.1674971480905527
Energy: 1.6565164900544094
Energy: 1.1817243832038429
Energy: 1.6565164900551432
Energy: 1.0698113140017773
Energy: 1.3999817861372827
Energy: 1.1766156803739782
Energy: 1.3999817861387507
Energy: 1.1854220949502763
Energy: 1.3236514438361446
Energy: 1.15673284663388
Energy: 1.3236514438376126
Energy: 1.2105638753853636
Energy: 1.4245982125158694
Energy: 1.0941371689510935
Energy: 1.4245982125158694
Energy: 1.1976285216526759
Energy: 1.4071608720963924
Energy: 1.1900609475291675
Energy: 1.4071608720963924
Energy: 1.1648569518868632
Energy: 1.4084702675964487
Energy: 1.1770717214115927
Energy: 1.4084702675957148
Energy: 1.165095298685495
Energy: 1.4397488124140112
Energy: 1.1863575381901381
Energy: 1.439748812412543

minimum gb energy = 0.9906934822188793 eV
minimum distance =  2.31246045719472 Angstroms
sigma value = 1


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

Energy: 1.3615774150129611
Energy: 1.540109493964685
Energy: 1.0693382271818221
Energy: 1.5401094939630111
Energy: 1.2584626954432219
Energy: 1.4308857303365858
Energy: 1.258052030599084
Energy: 1.4308857303340752
Energy: 1.1496883540447356
Energy: 1.5438748219687424
Energy: 1.2687404934740856
Energy: 1.5438748219670682
Energy: 1.259088447484051
Energy: 1.4178614122963205
Energy: 1.197974560747198
Energy: 1.4178614122963205
Energy: 1.2595613270317465
Energy: 1.5037441807364371
Energy: 1.2055642638064212
Energy: 1.5037441807364371
Energy: 1.2540961401705437
Energy: 1.5032922117978749
Energy: 1.211888076530619
Energy: 1.5032922117953638
Energy: 1.2608445556378531
Energy: 1.2703900551196035
Energy: 1.179913907942501
Energy: 1.2703900551196035
Energy: 1.0608703671051283
Energy: 1.5433253423941273
Energy: 1.2222063108206815
Energy: 1.5433253423974749
Energy: 1.2570357397446037
Energy: 2.0382129409817673
Energy: 1.26634061642381
Energy: 2.0382129409800935
Energy: 1.2604839756364528
Energy: 1.543256211930026
Energy: 1.1018370573164602
Energy: 1.5432562119283522
Energy: 1.261145111843659
Energy: 1.3964852418197056
Energy: 1.2586196123286484
Energy: 1.3964852418205425
Energy: 1.1611898658754902
Energy: 1.521484732817704
Energy: 1.2778418213030065
Energy: 1.521484732818541
Energy: 1.2986422706435259
Energy: 1.5013887076925387
Energy: 1.2416322570683136
Energy: 1.5013887076933756
Energy: 1.306233020716327
Energy: 1.5011739136226214
Energy: 1.1672079296063722
Energy: 1.501173913625132
Energy: 1.1613016134240204
Energy: 1.5214556287151393
Energy: 1.275778330811994
Energy: 1.5214556287143022
Energy: 1.261064745289257
Energy: 1.39666526455465
Energy: 1.2584996677615115
Energy: 1.3966652645513022
Energy: 1.260465263172228
Energy: 1.543415290681824
Energy: 1.1299889363490578
Energy: 1.5434152906834977
Energy: 1.2575066843910514
Energy: 2.038523032123601
Energy: 1.2662897940213995
Energy: 2.0385230321210908
Energy: 1.0607871547999699
Energy: 1.5433702252900081
Energy: 1.1946322191892782
Energy: 1.543370225291682
Energy: 1.2608739797789033
Energy: 1.2704509682386769
Energy: 1.197620220485563
Energy: 1.2704509682370029
Energy: 1.2537025626491813
Energy: 1.5031137596246875
Energy: 1.1602455287720714
Energy: 1.5031137596197037
Energy: 1.2594901917235508
Energy: 1.503773857507808
Energy: 1.2556173049619928
Energy: 1.5037738575036237
Energy: 1.258879693472763
Energy: 1.416430641828242
Energy: 1.1802266510800208
Energy: 1.416430641828242
Energy: 1.1494582356463487
Energy: 1.5436288645808272
Energy: 1.2680523520186626
Energy: 1.543628864581664
Energy: 1.2585220699306392
Energy: 1.430961186686376
Energy: 1.2579150256911078
Energy: 1.430961186690561
Energy: 1.3615774150121243
Energy: 1.540109493964685
Energy: 1.167543327342138
Energy: 1.5401094939621742
Energy: 1.2584626954432219
Energy: 1.4308857303365858
Energy: 1.2580520305999208
Energy: 1.4308857303340752
Energy: 1.1496883540438987
Energy: 1.5438748219687424
Energy: 1.2889427444259547
Energy: 1.5438748219679055
Energy: 1.259088447484051
Energy: 1.4178614122979945
Energy: 1.20986785465366
Energy: 1.4178614122971573

minimum gb energy = 1.0607871547999699 eV
minimum distance =  2.28160964614711 Angstroms
sigma value = 25


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

Energy: 1.4555300392378128
Energy: 1.635728062113652
Energy: 1.2325663943475367
Energy: 1.635728062113652
Energy: 1.3875992616711927
Energy: 1.453299399497965
Energy: 1.4271839488191018
Energy: 1.453299399497965
Energy: 1.2487838167116518
Energy: 1.694207758982919
Energy: 1.386837107901657
Energy: 1.694207758982919
Energy: 1.346299364268645
Energy: 1.5576268185989253
Energy: 1.2958400117683948
Energy: 1.5576268185979523
Energy: 1.2954932322075177
Energy: 1.635479574318125
Energy: 1.3409985810759892
Energy: 1.635479574318125
Energy: 1.376012095841723
Energy: 1.692611675141292
Energy: 1.3868811726426111
Energy: 1.692611675140319
Energy: 1.3887673291012226
Energy: 1.7189651031495783
Energy: 1.3609299305772689
Energy: 1.7189651031505513
Energy: 1.2379890292317202
Energy: 1.6418315203981546
Energy: 1.20784131067146
Energy: 1.6418315203981546
Energy: 1.3614825965035482
Energy: 1.516485337816099
Energy: 1.3902294408076472
Energy: 1.516485337816099
Energy: 1.3852948096705373
Energy: 1.6926982102707182
Energy: 1.2700505957146495
Energy: 1.6926982102716912
Energy: 1.3412948943248242
Energy: 1.63360365572582
Energy: 1.3829585126635653
Energy: 1.63360365572582
Energy: 1.3011946565075398
Energy: 1.6349625157265866
Energy: 1.3831310211309833
Energy: 1.6349625157265866
Energy: 1.3870431645399663
Energy: 1.5603450874833549
Energy: 1.267981749184361
Energy: 1.5603450874823823
Energy: 1.363209097465989
Energy: 1.4732306861316649
Energy: 1.388248875767393
Energy: 1.4732306861297189
Energy: 1.1622822140943598
Energy: 1.6431472843153876
Energy: 1.2060588319373085
Energy: 1.6431472843144146
Energy: 1.4309483639178884
Energy: 2.1392272983880263
Energy: 1.296078266848799
Energy: 2.1392272983880263
Energy: 1.1456028352542653
Energy: 1.6943326569440667
Energy: 1.1459768691554357
Energy: 1.6943326569440667
Energy: 1.2954586069794005
Energy: 1.538704469370926
Energy: 1.3407961693195902
Energy: 1.538704469370926
Energy: 1.3374050788667744
Energy: 1.5575226038663588
Energy: 1.295050760723415
Energy: 1.5575226038673318
Energy: 1.3858014895603545
Energy: 1.6931314497845629
Energy: 1.385044690457872
Energy: 1.6931314497855359
Energy: 1.406523753136953
Energy: 1.510788498791672
Energy: 1.385038048089726
Energy: 1.510788498790699
Energy: 1.441233979668255
Energy: 1.6376486834611998
Energy: 1.2863131477935572
Energy: 1.6376486834611998
Energy: 1.386336857513048
Energy: 1.5411633377704055
Energy: 1.3412624792313974
Energy: 1.5411633377704055
Energy: 1.2464037198078932
Energy: 1.6934370206796172
Energy: 1.3854507867843076
Energy: 1.6934370206796172
Energy: 1.3486104148059348
Energy: 1.4149960596722804
Energy: 1.29534742928006
Energy: 1.4149960596722804

minimum gb energy = 1.1456028352542653 eV
minimum distance =  2.28965291223065 Angstroms
sigma value = 9


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

Energy: 1.6181737169345778
Energy: 1.8207360654055982
Energy: 1.3020506204004456
Energy: 1.8207360654055982
Energy: 1.5397846619963924
Energy: 1.6751046328693735
Energy: 1.3994816672776067
Energy: 1.6751046328682129
Energy: 1.3507866307635812
Energy: 1.5502814464024857
Energy: 1.480960013075231
Energy: 1.5502814464024857
Energy: 1.569574618976381
Energy: 1.8292091689169039
Energy: 1.3971067989321004
Energy: 1.8292091689169039
Energy: 1.5697456359551172
Energy: 1.6234148985652497
Energy: 1.3994741138219504
Energy: 1.6234148985652497
Energy: 1.3255026384971949
Energy: 1.790634043585107
Energy: 1.3946584671776159
Energy: 1.7906340435839463
Energy: 1.625249534633018
Energy: 1.344515890779603
Energy: 1.3467460238931999
Energy: 1.344515890779603
Energy: 1.2580174405024735
Energy: 1.7900186171623729
Energy: 1.4316209156174524
Energy: 1.7900186171623729
Energy: 1.503822155686966
Energy: 1.623966769155621
Energy: 1.473794768802828
Energy: 1.6239667691567816
Energy: 1.5542768018867943
Energy: 1.818991831783755
Energy: 1.4469645797476542
Energy: 1.818991831783755
Energy: 1.3822282403881476
Energy: 1.780943055832396
Energy: 1.508708589003023
Energy: 1.780943055832396
Energy: 1.5105806298585003
Energy: 1.6280079174980908
Energy: 1.3978948412853436
Energy: 1.6280079174980908
Energy: 1.3422052140890406
Energy: 1.7871974238868003
Energy: 1.3490948806341994
Energy: 1.7871974238868003
Energy: 1.4674261390111365
Energy: 2.0937455238823843
Energy: 1.5044447431627528
Energy: 2.0937455238823843
Energy: 1.3421766494450917
Energy: 1.7914912169048334
Energy: 1.2364122392933086
Energy: 1.7914912169048334
Energy: 1.5157273778283602
Energy: 1.8098734145204125
Energy: 1.3447888627049414
Energy: 1.8098734145192517
Energy: 1.4784029067280542
Energy: 1.6768788724607433
Energy: 1.4779325053989307
Energy: 1.676878872459583
Energy: 1.5706602357037835
Energy: 1.8194022029232058
Energy: 1.4470312304996291
Energy: 1.8194022029243662
Energy: 1.5655799431525514
Energy: 1.5907369099353186
Energy: 1.3648569014335468
Energy: 1.5907369099341577
Energy: 1.300243725942369
Energy: 1.7867814741585284
Energy: 1.431720982494523
Energy: 1.7867814741585284
Energy: 1.519393113834795
Energy: 1.621218148218801
Energy: 1.398989001074496
Energy: 1.6212181482199615

minimum gb energy = 1.2364122392933086 eV
minimum distance =  2.28319505851677 Angstroms
sigma value = 25


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

Energy: 1.4491544596015822
Energy: 1.9111452633389545
Energy: 1.507364729634016
Energy: 1.9111452633389545
Energy: 1.3999733306296172
Energy: 1.5439428225513936
Energy: 1.354803961443412
Energy: 1.5439428225513936
Energy: 1.4278025890788328
Energy: 1.8605672672588147
Energy: 1.3545685079490022
Energy: 1.860567267255944
Energy: 1.5432485489231926
Energy: 1.5263470206041423
Energy: 1.4271086706664062
Energy: 1.5263470206012717
Energy: 1.4284486459417132
Energy: 1.3974522922780512
Energy: 1.4846403736319895
Energy: 1.3974522922780512
Energy: 1.354728964875428
Energy: 1.983571497936012
Energy: 1.3573730255233276
Energy: 1.983571497937447
Energy: 1.3544126506994432
Energy: 1.5000326507190658
Energy: 1.354835101563111
Energy: 1.5000326507176305
Energy: 1.4261047186333633
Energy: 1.3550574107064817
Energy: 1.4467169288679549
Energy: 1.355057410664858
Energy: 1.3546291565906272
Energy: 1.5439002236333184
Energy: 1.399452442489135
Energy: 1.5439002236333184
Energy: 1.594021982358356
Energy: 1.7310293433550068
Energy: 1.426970296078795
Energy: 1.7310293433550068
Energy: 1.3859190852298462
Energy: 1.914480202265606
Energy: 1.4927922357145196
Energy: 1.9144802022641711
Energy: 1.3544845244410348
Energy: 2.1186497473601142
Energy: 1.5933564406114187
Energy: 2.1186497473615495
Energy: 1.4280088035931187
Energy: 1.861152217227824
Energy: 1.3553413153836116
Energy: 1.8611522172292594
Energy: 1.3545723754027055
Energy: 1.4480189683782856
Energy: 1.543266889444824
Energy: 1.4480189683739797
Energy: 1.3547887792762554
Energy: 1.9115606628043333
Energy: 1.4284576031884137
Energy: 1.9115606628043333
Energy: 1.3974105245348691
Energy: 1.8595294264346984
Energy: 1.3556323303678355
Energy: 1.8595294264346984
Energy: 1.3550151804701913
Energy: 1.500103492714044
Energy: 1.592462303672447
Energy: 1.500103492714044

minimum gb energy = 1.3544126506994432 eV
minimum distance =  2.35587139489614 Angstroms
sigma value = 17


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

Energy: 1.6893988727800302
Energy: 1.6400592124778441
Energy: 1.521952861266649
Energy: 1.6400592124794697
Energy: 1.5082107176760957
Energy: 1.6069865053004244
Energy: 1.420021327253301
Energy: 1.6069865053004244
Energy: 1.4830984401816079
Energy: 1.6086997959634104
Energy: 1.4198182041189755
Energy: 1.6086997959617846
Energy: 1.422544744971606
Energy: 1.659716121178926
Energy: 1.541927956119922
Energy: 1.6597161211813647
Energy: 1.569646023838248
Energy: 1.4980119159988219
Energy: 1.5285879056826213
Energy: 1.498011915998009
Energy: 1.4636609882577292
Energy: 1.634847189894041
Energy: 1.4450787221685022
Energy: 1.6348471898948538
Energy: 1.4221939800402152
Energy: 1.6047470816097518
Energy: 1.5260561519959048
Energy: 1.6047470816113776
Energy: 1.446448837619734
Energy: 1.6355249446815534
Energy: 1.4597950580239514
Energy: 1.6355249446815534
Energy: 1.4605086741584408
Energy: 1.56531295533172
Energy: 1.5555656130093602
Energy: 1.565312955332533
Energy: 1.6153058101010538
Energy: 1.6023414532745874
Energy: 1.4202983326932321
Energy: 1.602341453256704
Energy: 1.4264613806310282
Energy: 1.671752325239803
Energy: 1.4859352696755135
Energy: 1.671752325239803
Energy: 1.5638587424081987
Energy: 1.6093170140258526
Energy: 1.5629589450103658
Energy: 1.6093170140266655
Energy: 1.6483089831500504
Energy: 1.6345674777436237
Energy: 1.637063982905016
Energy: 1.6345674777428107
Energy: 1.4199939669516022
Energy: 1.6141136240396994
Energy: 1.508588514940454
Energy: 1.6141136240372604
Energy: 1.5413950733973563
Energy: 1.6048435330405353
Energy: 1.4622351417556356
Energy: 1.6048435330413482
Energy: 1.4846525669988175
Energy: 1.6349714463845055
Energy: 1.4457725019882464
Energy: 1.6349714463836929
Energy: 1.5259026986084943
Energy: 1.6773251126078579
Energy: 1.6140160673566863
Energy: 1.6773251126078579
Energy: 1.5947451824390477
Energy: 1.6034332988699522
Energy: 1.4636346403599647
Energy: 1.603433298870765
Energy: 1.5326344483698502
Energy: 1.716294367396593
Energy: 1.5107438258458616
Energy: 1.716294367396593
Energy: 1.5282296430779017
Energy: 1.6612976653582725
Energy: 1.423210407281352
Energy: 1.6612976653574598
Energy: 1.4328780133327872
Energy: 1.6037381022802677
Energy: 1.4827934445756363
Energy: 1.6037381022794548
Energy: 1.5270302178481903
Energy: 1.6397645265476528
Energy: 1.614673940517335
Energy: 1.6397645265476528
Energy: 1.511361644596662
Energy: 1.635347709272571
Energy: 1.4208984611722317
Energy: 1.635347709272571
Energy: 1.5642552630535893
Energy: 1.6049509558202169
Energy: 1.4847295038019677
Energy: 1.6049509558169652
Energy: 1.6371761344332152
Energy: 1.609599254010656
Energy: 1.4830950059346675
Energy: 1.609599253920463
Energy: 1.590133388123816
Energy: 1.6412208326273001
Energy: 1.422263923365079
Energy: 1.6412208326273001
Energy: 1.5285909780403222
Energy: 1.7810001768894166
Energy: 1.6829906857849906
Energy: 1.7810001768894166
Energy: 1.449097212641786
Energy: 1.6344927977099015
Energy: 1.4847977182782084
Energy: 1.6344927977099015
Energy: 1.6440244013615357
Energy: 1.6631142536146308
Energy: 1.4225038923782396
Energy: 1.663114253615444
Energy: 1.4598517368512576
Energy: 1.691251457337236
Energy: 1.5976184053778648
Energy: 1.691251457337236

minimum gb energy = 1.4198182041189755 eV
minimum distance =  2.28884220724283 Angstroms
sigma value = 53


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

Energy: 1.4360220288930674
Energy: 1.434319687677801
Energy: 1.509122476030398
Energy: 1.4343196876796724
Energy: 1.5927960185078538
Energy: 1.5612692137068733
Energy: 1.4630832096108117
Energy: 1.561269213705002
Energy: 1.4362300894457378
Energy: 1.6105008443445483
Energy: 1.3979942903277152
Energy: 1.6105008443408055
Energy: 1.4367498184001406
Energy: 1.6101491158004573
Energy: 1.3980068595740547
Energy: 1.6101491157985859
Energy: 1.5921881500931998
Energy: 1.5609515797253655
Energy: 1.515215917614963
Energy: 1.5609515797253655
Energy: 1.4360220288930674
Energy: 1.4343196876796724
Energy: 1.5354046425352565
Energy: 1.434319687677801
Energy: 1.5925356625633031
Energy: 1.561269213705002
Energy: 1.5398410896734194
Energy: 1.5612692137068733
Energy: 1.4362300894457378
Energy: 1.6105008443408055
Energy: 1.4390053007872396
Energy: 1.6105008443408055
Energy: 1.436749818398269
Energy: 1.6101491158004573
Energy: 1.4639742757034384
Energy: 1.6101491158004573
Energy: 1.5922000753529755
Energy: 1.5609515797253655
Energy: 1.5334277915675347
Energy: 1.5609515797253655
Energy: 1.4360220288930674
Energy: 1.4343196876796724
Energy: 1.5654491980468495
Energy: 1.4343196876796724
Energy: 1.5927826583319076
Energy: 1.5612692137068733
Energy: 1.5398409068939332
Energy: 1.561269213705002
Energy: 1.4362300894457378
Energy: 1.6105008443408055
Energy: 1.5415150594325864
Energy: 1.610500844342677

minimum gb energy = 1.3979942903277152 eV
minimum distance =  2.32338437423091 Angstroms
sigma value = 9


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

Energy: 1.5634303048385279
Energy: 1.7273628497795828
Energy: 1.5982623413178447
Energy: 1.7273628497802753
Energy: 1.6385418340763562
Energy: 1.5841661676157561
Energy: 1.5283215797557683
Energy: 1.5841661676171412
Energy: 1.4668527571349157
Energy: 1.654958539236454
Energy: 1.5026488672531468
Energy: 1.6549585392406096
Energy: 1.5079281402938716
Energy: 1.7918427647884794
Energy: 1.49341910748268
Energy: 1.791842764789172
Energy: 1.64083703752174
Energy: 1.6148148981872177
Energy: 1.4948835851203182
Energy: 1.6148148981886032
Energy: 1.534171592630629
Energy: 1.5320876777404586
Energy: 1.497309317482397
Energy: 1.532087677741844
Energy: 1.6726323218004093
Energy: 1.6034398332032354
Energy: 1.5285323692016213
Energy: 1.6034398332025426
Energy: 1.496169231037965
Energy: 1.7938315304781183
Energy: 1.539627254579701
Energy: 1.7938315304815815
Energy: 1.470008669688766
Energy: 1.8158355251484684
Energy: 1.543860512576992
Energy: 1.815835525149161
Energy: 1.4683124395257916
Energy: 1.5808537184059297
Energy: 1.530049973664664
Energy: 1.5808537184066223
Energy: 1.4986899840655932
Energy: 1.7909311467743785
Energy: 1.57533862941662
Energy: 1.7909311467743785
Energy: 1.6254086427424619
Energy: 1.713444193191691
Energy: 1.4734407220589112
Energy: 1.713444193191691
Energy: 1.4700659256029376
Energy: 1.6423330263721307
Energy: 1.599938080414242
Energy: 1.6423330186484573
Energy: 1.5133116559604975
Energy: 1.8868593399759293
Energy: 1.5697242162672802
Energy: 1.8868593399759293
Energy: 1.531670490199563
Energy: 1.6897536793220438
Energy: 1.547515695423979
Energy: 1.6897536793220438
Energy: 1.4745121017445841
Energy: 1.8148372056532478
Energy: 1.4869836850237041
Energy: 1.8148372056539404
Energy: 1.5367744717490077
Energy: 1.689799427165845
Energy: 1.5326209117427139
Energy: 1.6897994271665377
Energy: 1.5030709747555706
Energy: 1.603010864200864
Energy: 1.639883212487651
Energy: 1.603010864200864
Energy: 1.619746929682848
Energy: 1.6411847944537004
Energy: 1.5368986819537733
Energy: 1.6411847944578561
Energy: 1.5062917124684252
Energy: 1.6140266615471521
Energy: 1.5773695101210763
Energy: 1.6140266615471521
Energy: 1.5056768897189219
Energy: 1.789052761245245
Energy: 1.5101994652071247
Energy: 1.7890527612466305
Energy: 1.5785609471485655
Energy: 1.624186144580087
Energy: 1.4683299371284275
Energy: 1.6241861445807795
Energy: 1.5324125880872237
Energy: 1.7115038698199074
Energy: 1.4701281559206438
Energy: 1.7115038698178298
Energy: 1.6725527810449354
Energy: 1.6105904880413033
Energy: 1.496178370887485
Energy: 1.6105904880475368
Energy: 1.5290943774716896
Energy: 1.7085922696201086
Energy: 1.7048308956210252
Energy: 1.708592269619416
Energy: 1.4735638146254735
Energy: 1.5329004290535913
Energy: 1.4676277547764291
Energy: 1.5329004290515136
Energy: 1.6419122993857727
Energy: 1.6934345822516887
Energy: 1.507304360967341
Energy: 1.6934345822516887
Energy: 1.5601881491390595
Energy: 1.7920782674982834
Energy: 1.5085748830139594
Energy: 1.7920782674996685
Energy: 1.5081995891967197
Energy: 1.5326468087214355
Energy: 1.4666869775538096
Energy: 1.5326468087214355
Energy: 1.5282750330646708
Energy: 1.6681628377016648
Energy: 1.7108542978385886
Energy: 1.668162837704435
Energy: 1.6477607447516618
Energy: 1.7243597737636618
Energy: 1.4952200735185501
Energy: 1.724359773762969
Energy: 1.5316335574972915
Energy: 1.60472611490404
Energy: 1.4677413967990667
Energy: 1.6047261149026546
Energy: 1.5338009710948004
Energy: 1.6230105333119393
Energy: 1.4670004034103221
Energy: 1.6230105333112463
Energy: 1.5060973652242782
Energy: 1.7911954878133007
Energy: 1.5076557644201725
Energy: 1.791195487812608
Energy: 1.4947054713740957
Energy: 1.7538980627988392
Energy: 1.6750883017701736
Energy: 1.7538980627995322

minimum gb energy = 1.4666869775538096 eV
minimum distance =  2.31062614339927 Angstroms
sigma value = 73


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

Energy: 1.6740250512134884
Energy: 1.6576208672978543
Energy: 1.5393756376785683
Energy: 1.6576208672989534
Energy: 1.6401894343798142
Energy: 1.701059196160258
Energy: 1.55873633088465
Energy: 1.701059196156961
Energy: 1.5561797036472698
Energy: 1.5568846566585217
Energy: 1.530329059518461
Energy: 1.5568846566574228
Energy: 1.451263207141116
Energy: 1.7483152573354808
Energy: 1.5500481406028253
Energy: 1.748315257332184
Energy: 1.5014002145586882
Energy: 1.677465611814404
Energy: 1.5461947756604522
Energy: 1.6774656118166016
Energy: 1.5505573150633236
Energy: 1.744565210357507
Energy: 1.4900598808443142
Energy: 1.744565210356408
Energy: 1.7676076527630895
Energy: 1.7189894069837737
Energy: 1.5595991393999948
Energy: 1.7189894069826748
Energy: 1.4799761454334244
Energy: 1.5571456161870376
Energy: 1.668653224762656
Energy: 1.5571456161859383
Energy: 1.5721161728282644
Energy: 1.5581098761762613
Energy: 1.5569034513607587
Energy: 1.558109876179558
Energy: 1.5560425783605603
Energy: 1.6244079026077232
Energy: 1.5562206798151976
Energy: 1.6244079026088218
Energy: 1.4760532480764388
Energy: 1.5577241050068389
Energy: 1.5592210356023617
Energy: 1.5577241050068389
Energy: 1.617398293025673
Energy: 1.7484117328423792
Energy: 1.4507632486865316
Energy: 1.7484117328423792
Energy: 1.5502865956937233
Energy: 1.6424733561335116
Energy: 1.7230638453492153
Energy: 1.6424733561313138
Energy: 1.5863676394558386
Energy: 1.7317932348931842
Energy: 1.5504260405649195
Energy: 1.731793234894283
Energy: 1.555104769891664
Energy: 1.7854871927879663
Energy: 1.6688457069713718
Energy: 1.7854871927879663
Energy: 1.5587227420052345
Energy: 1.7433904214661102
Energy: 1.4796600153310357
Energy: 1.7433904214639124
Energy: 1.6468836476565771
Energy: 1.6462295471097925
Energy: 1.5558148522188398
Energy: 1.6462295471108912
Energy: 1.6566540688622715
Energy: 1.835845228349828
Energy: 1.5229863287364123
Energy: 1.8358452283476303
Energy: 1.5014008753929575
Energy: 1.5572629433778578
Energy: 1.4776380531005486
Energy: 1.5572629433745608
Energy: 1.5581599071903594
Energy: 2.026857570290161
Energy: 1.8312820273379358
Energy: 2.0268575702890623
Energy: 1.5549695756326316
Energy: 1.5394894073883945
Energy: 1.5537628097050589
Energy: 1.5394894073894936
Energy: 1.582045294218721
Energy: 1.6763202334714198
Energy: 1.6352402138483857
Energy: 1.6763202334714198

minimum gb energy = 1.4507632486865316 eV
minimum distance =  2.33790006629669 Angstroms
sigma value = 7


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

Energy: 1.5860497384711747
Energy: 1.5843068106460312
Energy: 1.647684281688885
Energy: 1.5843068106444769
Energy: 1.6579894625414173
Energy: 1.6303026523537723
Energy: 1.5404842333051263
Energy: 1.6303026523568804
Energy: 1.4935247689314604
Energy: 1.7332841867944355
Energy: 1.4874781742206336
Energy: 1.7332841867913271
Energy: 1.4433117442909695
Energy: 1.6810559573174386
Energy: 1.529311529003106
Energy: 1.6810559573182156
Energy: 1.5062502537855391
Energy: 1.6290458785014592
Energy: 1.5152541046921917
Energy: 1.6290458785045674
Energy: 1.4977688537111298
Energy: 1.5848740121613976
Energy: 1.5322413345584498
Energy: 1.5848740121575122
Energy: 1.6184408391880334
Energy: 1.706960698027547
Energy: 1.5157104658592
Energy: 1.706960698027547
Energy: 1.4975990046177108
Energy: 1.5850930477369378
Energy: 1.7443474565160377
Energy: 1.585093047739269
Energy: 1.6538998059349523
Energy: 1.6506579271066724
Energy: 1.5329919779026526
Energy: 1.650657927107449
Energy: 1.5074568042477998
Energy: 1.6466086442112302
Energy: 1.5918106892781618
Energy: 1.6466086442158927
Energy: 1.4383088600276885
Energy: 1.7350173737492587
Energy: 1.478190590327844
Energy: 1.7350173737515897
Energy: 1.5641938209172606
Energy: 1.6291242685495317
Energy: 1.4742661237273365
Energy: 1.6291242685487548
Energy: 1.5841386340694663
Energy: 1.5853476656630114
Energy: 1.478189466474748
Energy: 1.5853476656653427
Energy: 1.4869830183025434
Energy: 1.5613589700753394
Energy: 1.473733141448849
Energy: 1.5613589700768935
Energy: 1.5048936121497662
Energy: 1.6946742215862505
Energy: 1.7270298581767662
Energy: 1.694674221583142
Energy: 1.5654857920632563
Energy: 1.5613680823044478
Energy: 1.5285969552489076
Energy: 1.5613680823028935
Energy: 1.523915619201674
Energy: 1.661712795403381
Energy: 1.5301898054145129
Energy: 1.6617127954026039
Energy: 1.5149544337477108
Energy: 1.6632315429184579
Energy: 1.4740346067168288
Energy: 1.6632315429207891
Energy: 1.49174026805784
Energy: 1.586947103635637
Energy: 1.4782164520065046
Energy: 1.586947103637968
Energy: 1.5071728831748183
Energy: 1.6286178441115144
Energy: 1.4743934743175642
Energy: 1.6286178441146226
Energy: 1.4384078693023614
Energy: 1.7700847707672234
Energy: 1.5328988609022194
Energy: 1.7700847707687775
Energy: 1.496500839452248
Energy: 1.6714511899042295
Energy: 1.562107265078737
Energy: 1.6714511899073377
Energy: 1.6541667427123659
Energy: 1.6503524232366438
Energy: 1.4921065056156924
Energy: 1.6503524232389746
Energy: 1.5907248937622218
Energy: 1.5848807602626527
Energy: 1.6280159855591159
Energy: 1.5848807602626527
Energy: 1.5615805814088748
Energy: 1.6294187190556098
Energy: 1.5421259775035963
Energy: 1.6294187190525014
Energy: 1.443397719720857
Energy: 1.7352635805300312
Energy: 1.4723686981847883
Energy: 1.7352635805277
Energy: 1.5298220723978524
Energy: 1.6448867520859969
Energy: 1.58816184448
Energy: 1.644886752087551
Energy: 1.443329588000068
Energy: 1.706210261397034
Energy: 1.6131027867783072
Energy: 1.7062102613931487
Energy: 1.4928951488096247
Energy: 1.5850399479631718
Energy: 1.580669250714044
Energy: 1.58503994796628
Energy: 1.750665522288897
Energy: 1.5786937101160499
Energy: 1.5403316854443092
Energy: 1.5786937101160499
Energy: 1.4929262615548566
Energy: 1.5847193228760659
Energy: 1.7104238542614745
Energy: 1.5847193228737346

minimum gb energy = 1.4383088600276885 eV
minimum distance =  2.33276182011491 Angstroms
sigma value = 29


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

Energy: 1.5700319646882068
Energy: 1.5149580997836793
Energy: 1.5416379902110984
Energy: 1.514958099782627
Energy: 1.38103786080241
Energy: 1.5107578043102732
Energy: 1.5103642362251468
Energy: 1.5107578043102732
Energy: 1.2924339551065671
Energy: 1.6287744928596182
Energy: 1.4623684739343417
Energy: 1.6287744928601295
Energy: 1.5673113281085174
Energy: 1.506976276953462
Energy: 1.510582037535374
Energy: 1.5069762770108746
Energy: 1.5703429892719294
Energy: 1.58894976783711
Energy: 1.5559098327868583
Energy: 1.5889497678365685
Energy: 1.29240619014783
Energy: 1.6292756096893448
Energy: 1.2923274727141596
Energy: 1.6292756096896155
Energy: 1.417709086673401
Energy: 1.5890209208716735
Energy: 1.570404819255172
Energy: 1.5890209208716735
Energy: 1.5103573010146292
Energy: 1.507282073134458
Energy: 1.5673936358890532
Energy: 1.5072820731395105
Energy: 1.4626597021048442
Energy: 1.6287943895617478
Energy: 1.2924224587034032
Energy: 1.6287943895615073

minimum gb energy = 1.2923274727141596 eV
minimum distance =  2.36259734380438 Angstroms
sigma value = 5


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

Energy: 1.4960856857112435
Energy: 1.4677611498088527
Energy: 1.4297342915941305
Energy: 1.4677611498154586
Energy: 1.5749168301216312
Energy: 1.449426830558609
Energy: 1.3704796612674748
Energy: 1.449426830555673
Energy: 1.3911884991555499
Energy: 1.4402573948658302
Energy: 1.6327494039927204
Energy: 1.440257394865096
Energy: 1.3555441007408233
Energy: 1.5199574636374658
Energy: 1.4446688407836203
Energy: 1.5199574636308597
Energy: 1.4169310264240635
Energy: 1.5225619926380247
Energy: 1.6408515643985295
Energy: 1.5225619926387586
Energy: 1.3943530186067439
Energy: 1.4670160249056363
Energy: 1.4134177111801451
Energy: 1.4670160249100404
Energy: 1.3954747911969072
Energy: 1.5420580290283263
Energy: 1.3914040936723944
Energy: 1.5420580290253905
Energy: 1.4052025305466458
Energy: 1.4686161459213183
Energy: 1.380233580310593
Energy: 1.4686161459183822
Energy: 1.4359129247609619
Energy: 1.459338727546267
Energy: 1.3689610197535294
Energy: 1.4593387275315866
Energy: 1.4319938721155303
Energy: 1.5364388215721252
Energy: 1.348059860169239
Energy: 1.536438821575061
Energy: 1.3469043440112407
Energy: 1.5287516994355819
Energy: 1.3949191852064133
Energy: 1.5287516994385182
Energy: 1.3817850913036829
Energy: 1.4546425707390493
Energy: 1.5623055848461467
Energy: 1.4546425707397834
Energy: 1.3667860089156707
Energy: 1.4653516951865393
Energy: 1.4739880582292104
Energy: 1.4653516951865393
Energy: 1.4215870071495746
Energy: 1.4651760250438244
Energy: 1.560088130774968
Energy: 1.4651760250467605
Energy: 1.6890101133740527
Energy: 1.439320441360818
Energy: 1.3755611500222595
Energy: 1.4393204413468716
Energy: 1.4589928139054393
Energy: 1.4308927431451164
Energy: 1.5110778758313492
Energy: 1.4308927431487863
Energy: 1.6156327137024236
Energy: 1.4123940933266244
Energy: 1.375750528933981
Energy: 1.4123940933280923
Energy: 1.4378384921125125
Energy: 1.464898731256864
Energy: 1.413452812254361
Energy: 1.464898731256864
Energy: 1.3966733710532644
Energy: 1.5443033824560337
Energy: 1.40832507475826
Energy: 1.5443033824552994
Energy: 1.374612342149226
Energy: 1.5523184484888106
Energy: 1.4498225472016733
Energy: 1.5523184484851407
Energy: 1.3429955895222037
Energy: 1.6572018334044227
Energy: 1.433596473969336
Energy: 1.6572018334000849
Energy: 1.4132601203850164
Energy: 1.5428781085545429
Energy: 1.4311246482315325
Energy: 1.5428781085610823
Energy: 1.388901229978583
Energy: 1.4713696058127619
Energy: 1.3504818134239966
Energy: 1.4713696058112937
Energy: 1.5634575451313715
Energy: 1.5362860033587986
Energy: 1.375012416419452
Energy: 1.5362860033587986
Energy: 1.5968428731785433
Energy: 1.658758387345961
Energy: 1.3575373651985159
Energy: 1.658758387347429
Energy: 1.4255507032297834
Energy: 1.4652827620934497
Energy: 1.4074109847888516
Energy: 1.4652827620905133
Energy: 1.4028377229991433
Energy: 1.389111280502193
Energy: 1.5203043764621906
Energy: 1.3891112805051293
Energy: 1.3307487937925522
Energy: 1.6168318142692508
Energy: 1.4578238105549215
Energy: 1.6168318142765246
Energy: 1.3889898905157632
Energy: 1.4397437695553141
Energy: 1.7544630038239706
Energy: 1.4397437695589843
Energy: 1.6169610963454861
Energy: 1.4647763615193354
Energy: 1.446686211947641
Energy: 1.4647763615230056
Energy: 1.4210736890709472
Energy: 1.4468522129112293
Energy: 1.459988805270704
Energy: 1.4468522129112293
Energy: 1.6268678385175008
Energy: 1.4650255539390706
Energy: 1.3807342317525586
Energy: 1.4650255539412729
Energy: 1.4621435770433762
Energy: 1.5311368194385024
Energy: 1.3344004758319583
Energy: 1.5311368194377686

minimum gb energy = 1.3307487937925522 eV
minimum distance =  2.29435297733794 Angstroms
sigma value = 1


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

Energy: 1.400095362610837
Energy: 1.3990399385811225
Energy: 1.527287082602852
Energy: 1.3990399385831525
Energy: 1.4224041585979983
Energy: 1.3684088379227581
Energy: 1.385487815465611
Energy: 1.3684088379227581
Energy: 1.2873843493796837
Energy: 1.398217584959259
Energy: 1.791380294376118
Energy: 1.398217584959259
Energy: 1.374538943444865
Energy: 1.4820717442413474
Energy: 1.359351587070914
Energy: 1.4820717442443923
Energy: 1.295637811884161
Energy: 1.5216347621699593
Energy: 1.621283826339134
Energy: 1.521634762171989
Energy: 1.2924617219896832
Energy: 1.4800680315732555
Energy: 1.3600677170651299
Energy: 1.4800680315722403
Energy: 1.2937356902930466
Energy: 1.5250872500543995
Energy: 1.3491128979501699
Energy: 1.5250872500523693
Energy: 1.2924760931526793
Energy: 1.4040211797036224
Energy: 1.3633628506419477
Energy: 1.4040211797005773
Energy: 1.3973511550704287
Energy: 1.4172590711265958
Energy: 1.3702610715496064
Energy: 1.4172590711296407
Energy: 1.3973406493261082
Energy: 1.4170901007334973
Energy: 1.3642239809918657
Energy: 1.417090100734512
Energy: 1.2931121559337195
Energy: 1.4037332451687072
Energy: 1.3565739749582941
Energy: 1.4037332451666775
Energy: 1.293876481466492
Energy: 1.525112433065406
Energy: 1.3570744495593299
Energy: 1.5251124330684507
Energy: 1.2925431886112027
Energy: 1.4800149181566082
Energy: 1.360074345945562
Energy: 1.4800149181555933
Energy: 1.2950336198607193
Energy: 1.5238088995330565
Energy: 1.620500654237706
Energy: 1.5238088995340717
Energy: 1.3659897185520073
Energy: 1.482149336404321
Energy: 1.3587592359228335
Energy: 1.4821493364012763
Energy: 1.2871297548949907
Energy: 1.398612743866979
Energy: 1.7151747946357703
Energy: 1.398612743867948
Energy: 1.422208957079502
Energy: 1.3680058551068592
Energy: 1.385410160999477
Energy: 1.3680058551099041
Energy: 1.400095362610837
Energy: 1.3990399385821375
Energy: 1.5272769148934402
Energy: 1.3990399385821375
Energy: 1.4224041586000282
Energy: 1.3684088379237729
Energy: 1.385487815465611
Energy: 1.3684088379197132
Energy: 1.2873843493796837
Energy: 1.3982175849602743
Energy: 1.57044242530065
Energy: 1.398217584959259
Energy: 1.3745389434479096
Energy: 1.4820717442413474
Energy: 1.359351587070914
Energy: 1.4820717442443923
Energy: 1.2956378118831458
Energy: 1.521634762170974
Energy: 1.621283826340149
Energy: 1.521634762171989
Energy: 1.292461721990698
Energy: 1.4800680315691956
Energy: 1.3600677170651299
Energy: 1.4800680315722403
Energy: 1.2937356902920316
Energy: 1.5250872500543995
Energy: 1.3491128979481402
Energy: 1.5250872500523693

minimum gb energy = 1.2871297548949907 eV
minimum distance =  2.35490095948294 Angstroms
sigma value = 17


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

Energy: 1.3699792903569978
Energy: 1.3688250468233683
Energy: 1.5167579360450707
Energy: 1.3688250468252503
Energy: 1.515075972517755
Energy: 1.360353750557544
Energy: 1.3406288375058564
Energy: 1.3603537505631897
Energy: 1.3325284689684107
Energy: 1.3440111421843353
Energy: 1.6281287865019305
Energy: 1.3440111421849628
Energy: 1.3110102474181082
Energy: 1.601037112836664
Energy: 1.33059208466676
Energy: 1.6010371128372916
Energy: 1.297614851381001
Energy: 1.446295427584621
Energy: 1.6614414123034742
Energy: 1.4462954275852484
Energy: 1.2654663931859622
Energy: 1.627180666884579
Energy: 1.3555846787824348
Energy: 1.6271806668814424
Energy: 1.3298838360998158
Energy: 1.4181371311434676
Energy: 1.348985872586975
Energy: 1.4181371311440951
Energy: 1.302774725550631
Energy: 1.6271944614119247
Energy: 1.3094216392942264
Energy: 1.6271944614119247
Energy: 1.3602999272335998
Energy: 1.6438721933011102
Energy: 1.3372986530202882
Energy: 1.6438721933017377
Energy: 1.3634540713421204
Energy: 1.666075925859652
Energy: 1.3228558753673327
Energy: 1.6660759258583973
Energy: 1.324686574641752
Energy: 1.6023671005531954
Energy: 1.311789218281006
Energy: 1.6023671005531954
Energy: 1.3287396267065301
Energy: 1.4212143858584094
Energy: 1.3030760800047534
Energy: 1.4212143858584094
Energy: 1.2638036359783424
Energy: 1.6265814579986662
Energy: 1.3311366218898262
Energy: 1.6265814579999207
Energy: 1.3001985976033497
Energy: 1.4458054338863975
Energy: 1.373884857835151
Energy: 1.4458054338870245
Energy: 1.3151487661034236
Energy: 1.6139276093227
Energy: 1.3775934911814025
Energy: 1.6139276093220725
Energy: 1.3254835235416047
Energy: 1.344712200601111
Energy: 1.644799347519998
Energy: 1.3447122005992291
Energy: 1.3219013361474277
Energy: 1.615407990470352
Energy: 1.3305963116000112
Energy: 1.6154079904697247
Energy: 1.3265813865438707
Energy: 1.3687175695795106
Energy: 1.298077330837416
Energy: 1.3687175695782559
Energy: 1.5079083548238252
Energy: 1.4230297452294098
Energy: 1.3406457239357532
Energy: 1.4230297452312917
Energy: 1.3511254735189548
Energy: 1.3452337400776997
Energy: 1.4695803620918753
Energy: 1.345233740078327
Energy: 1.484772876801995
Energy: 1.3461934006007306
Energy: 1.3420826748848638
Energy: 1.346193400601358
Energy: 1.327021355371909
Energy: 1.6574714558282178
Energy: 1.7051182068100759
Energy: 1.6574714558275903
Energy: 1.4961828882586246
Energy: 1.3478285138361734
Energy: 1.3528631834587181
Energy: 1.3478285138361734
Energy: 1.3238095811626558
Energy: 1.4191864830253194
Energy: 1.5309202075913193
Energy: 1.419186483029083
Energy: 1.3078278240022805
Energy: 1.369660179709101
Energy: 1.3282800489633888
Energy: 1.369660179706592
Energy: 1.3334646021396603
Energy: 1.4473571252007311
Energy: 1.3412336200972015
Energy: 1.447357125200104
Energy: 1.500179757214789
Energy: 1.412199104704746
Energy: 1.322598594276229
Energy: 1.4121991047034914
Energy: 1.3816596970745538
Energy: 1.612928344442886
Energy: 1.3125091923546637
Energy: 1.612928344433477
Energy: 1.3669446539644547
Energy: 1.4452160193752688
Energy: 1.3039053299389751
Energy: 1.4452160193740142
Energy: 1.3337984429909513
Energy: 1.6499147753895604
Energy: 1.3305814101130915
Energy: 1.64991477538266
Energy: 1.3014622316527749
Energy: 1.4454724820872729
Energy: 1.3277145116518398
Energy: 1.4454724820885274
Energy: 1.3127236859151115
Energy: 1.6011828127089025
Energy: 1.3202225689654477
Energy: 1.60118281270953
Energy: 1.3269934397176035
Energy: 1.42511280255502
Energy: 1.5373283383323415
Energy: 1.42511280255502
Energy: 1.3404678035048068
Energy: 1.6441065746299317
Energy: 1.3634017571053652
Energy: 1.6441065746299317
Energy: 1.3080126955772637
Energy: 1.3702616089209139
Energy: 1.3316247501618534
Energy: 1.3702616089202864
Energy: 1.3464902640001084
Energy: 1.4189743130743688
Energy: 1.3278349567975591
Energy: 1.4189743130687804
Energy: 1.3526967869477973
Energy: 1.6292044680167834
Energy: 1.2699837006083654
Energy: 1.6292044680192925
Energy: 1.3673987108050318
Energy: 1.448064065832857
Energy: 1.335668181562327
Energy: 1.4480640658316022

minimum gb energy = 1.2638036359783424 eV
minimum distance =  2.35439551450474 Angstroms
sigma value = 89


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

Energy: 1.2038368608448324
Energy: 1.2030082592170073
Energy: 1.1677653372336778
Energy: 1.2030082592186486
Energy: 1.2161419220797127
Energy: 1.256233997081175
Energy: 1.2165833198375524
Energy: 1.2562339970828162
Energy: 1.2147603997281415
Energy: 1.4317764012634695
Energy: 1.9426817496316846
Energy: 1.4317764012634695
Energy: 1.1764010024227471
Energy: 1.256122495810612
Energy: 1.2163138356805294
Energy: 1.256122495810612
Energy: 1.214901261100021
Energy: 1.3109442634370545
Energy: 1.647153751565164
Energy: 1.3109442634354131
Energy: 1.2120279429862346
Energy: 1.2043788256624952
Energy: 1.208531519754906
Energy: 1.2043788256624952
Energy: 1.214526624278615
Energy: 1.4372960117127942
Energy: 1.2013030197200876
Energy: 1.4372960117127942
Energy: 1.1568558692002657
Energy: 1.4303188704421919
Energy: 1.2167151554774553
Energy: 1.4303188704421919
Energy: 1.212097258999054
Energy: 1.3109641775331666
Energy: 1.177933630772283
Energy: 1.3109641775331666
Energy: 1.2875490817989088
Energy: 1.3052815867850596
Energy: 1.2240405146145386
Energy: 1.3052815867834184
Energy: 1.2009621055137725
Energy: 1.25741490772538
Energy: 1.212324378413101
Energy: 1.25741490772538
Energy: 1.2010385412538145
Energy: 1.4335475784061704
Energy: 1.2167217699072328
Energy: 1.4335475784061704
Energy: 1.2120823662795246
Energy: 1.206883819935396
Energy: 1.1569950239728306
Energy: 1.2068838199337546
Energy: 1.2232684159540441
Energy: 1.3077016888996795
Energy: 1.2231299067242112
Energy: 1.3077016888996795
Energy: 1.1767124281423846
Energy: 1.2069403735284405
Energy: 1.211878876659481
Energy: 1.206940373526799

minimum gb energy = 1.1568558692002657 eV
minimum distance =  2.3617845115596 Angstroms
sigma value = 13


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

Energy: 1.1662132816078554
Energy: 1.1110038700857936
Energy: 1.3680549800021795
Energy: 1.1110038700871692
Energy: 1.3629600549049772
Energy: 1.1477043187871867
Energy: 1.0917702863116248
Energy: 1.1477043187851232
Energy: 1.1136471448763379
Energy: 1.1161364255393198
Energy: 1.5921024023932742
Energy: 1.1161364255331285
Energy: 1.112587514482695
Energy: 1.1475913964822475
Energy: 1.087427017482653
Energy: 1.1475913964856874
Energy: 1.1225900317492727
Energy: 1.1910734175294917
Energy: 1.5093770566013023
Energy: 1.1910734175370588
Energy: 1.0916440553823288
Energy: 1.1478213376216866
Energy: 1.1291999998713904
Energy: 1.1478213376203108
Energy: 1.1226527778667699
Energy: 1.1990081034849425
Energy: 1.586025631664437
Energy: 1.199008103491134
Energy: 1.0782795592467669
Energy: 1.1487428773459472
Energy: 1.129047708457606
Energy: 1.14874287735833
Energy: 1.1227079466601122
Energy: 1.196495747120791
Energy: 1.3046468792014463
Energy: 1.196495747120791
Energy: 1.3249428817959086
Energy: 1.2253055737055158
Energy: 1.0876920013195208
Energy: 1.225305573703452
Energy: 1.1228630229111138
Energy: 1.2273930212239805
Energy: 1.0901528716439453
Energy: 1.2273930212281081
Energy: 1.5264852038856516
Energy: 1.2246012098423704
Energy: 1.0934776386577143
Energy: 1.2246012105471986
Energy: 1.175977796695035
Energy: 1.1357080884555062
Energy: 1.1016874877210234
Energy: 1.135708088456882
Energy: 1.5415304909554406
Energy: 1.225257178331647
Energy: 1.0933997435371636
Energy: 1.225257178329583
Energy: 1.1229774203969243
Energy: 1.111461652388444
Energy: 1.1011850828882512
Energy: 1.111461652385004
Energy: 1.1240298396628177
Energy: 1.2264383957402074
Energy: 1.09596088748407
Energy: 1.226438395733328
Energy: 1.1177181792663662
Energy: 1.1101116524488854
Energy: 1.0962409560120023
Energy: 1.1101116524406298
Energy: 1.1117740148594197
Energy: 1.1939220404446484
Energy: 1.138269009099726
Energy: 1.1939220404453363
Energy: 1.1181347037185563
Energy: 1.1956481925186193
Energy: 1.138448232188957
Energy: 1.1956481925076121
Energy: 1.1181995575660182
Energy: 1.1958331495930918
Energy: 1.1383322434925227
Energy: 1.1958331507682851
Energy: 1.111095341804494
Energy: 1.1941605851653116
Energy: 1.1381361930693923
Energy: 1.1941605851646235
Energy: 1.1174208429854529
Energy: 1.1105066111015465
Energy: 1.0961860610653555
Energy: 1.110506611093354
Energy: 1.1240397683454473
Energy: 1.2262597536396571
Energy: 1.0957716675302311
Energy: 1.2262597536348416
Energy: 1.1229128356685547
Energy: 1.1110406361350245
Energy: 1.1049448275830425
Energy: 1.1110406361377763
Energy: 1.5421101315109014
Energy: 1.2255430999937675
Energy: 1.0934199717938475
Energy: 1.2255430999889516
Energy: 1.1756121510103608
Energy: 1.1362024209320407
Energy: 1.1061639733854947
Energy: 1.1362024209313528
Energy: 1.5264943502814414
Energy: 1.2247944056014974
Energy: 1.0933292411474782
Energy: 1.2247944055994335
Energy: 1.1223107914127681
Energy: 1.22727122690698
Energy: 1.0870745845414795
Energy: 1.2272712269166113
Energy: 1.324731187036698
Energy: 1.2256851415001915
Energy: 1.0876711716671554
Energy: 1.2256851414974397
Energy: 1.1227863532024123
Energy: 1.196072694309308
Energy: 1.305305496089811
Energy: 1.196072694299677
Energy: 1.0784133925267518
Energy: 1.1490174838470564
Energy: 1.1294001242386802
Energy: 1.1490174838470564
Energy: 1.12254183041283
Energy: 1.1992820501701082
Energy: 1.5272805012020458
Energy: 1.1992820501673562
Energy: 1.0914430882643102
Energy: 1.1479396304846181
Energy: 1.1292834437793795
Energy: 1.1479396304935612
Energy: 1.1228295043797503
Energy: 1.1910046193250936
Energy: 1.5274574912448358
Energy: 1.1910046193223418
Energy: 1.1126065957786757
Energy: 1.1477539532471999
Energy: 1.0873497066926827
Energy: 1.1477539532554555

minimum gb energy = 1.0782795592467669 eV
minimum distance =  2.37581873791008 Angstroms
sigma value = 37


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

Energy: 1.0625244493269068
Energy: 1.0578278944793846
Energy: 1.3059834689085543
Energy: 1.0578278944793846
Energy: 1.351580972822148
Energy: 1.4620664680094708
Energy: 0.9752626593614834
Energy: 1.4620664680094708
Energy: 0.9940726902494074
Energy: 1.5069279204151635
Energy: 1.6648119367855019
Energy: 1.5069279204151635
Energy: 0.9669154019124115
Energy: 1.462468095217677
Energy: 0.9756346689444176
Energy: 1.4624680952164932
Energy: 0.973751556093343
Energy: 1.4609474743733366
Energy: 1.3581943564689625
Energy: 1.4609474743733366
Energy: 0.9541747401735364
Energy: 1.4618668031386446
Energy: 0.9716803364699825
Energy: 1.4618668031374613
Energy: 1.0033148356267059
Energy: 1.892305173645542
Energy: 1.3512949788179427
Energy: 1.892305173645542
Energy: 0.9712437551937039
Energy: 1.0585680874568149
Energy: 1.0600843674812426
Energy: 1.0585680874568149
Energy: 0.9740894790813096
Energy: 1.501753661799105
Energy: 1.3516091593880213
Energy: 1.501753661799105
Energy: 1.325353248825081
Energy: 1.4948792140884946
Energy: 0.9703076952966834
Energy: 1.4948792140884946
Energy: 1.0035114146960245
Energy: 1.9191428120651355
Energy: 0.966318253258104
Energy: 1.9191428120651355
Energy: 1.4172502934587077
Energy: 1.461026408302511
Energy: 0.9753074607138652
Energy: 1.461026408302511
Energy: 0.9653752320495701
Energy: 1.501666424171372
Energy: 0.9532922474171078
Energy: 1.501666424171372
Energy: 1.3520077200264582
Energy: 1.916221050580013
Energy: 0.9717759269699751
Energy: 1.916221050580013
Energy: 1.0562144662139343
Energy: 1.126007377573236
Energy: 0.9717239032033806
Energy: 1.1260073775720523
Energy: 1.0559844762671937
Energy: 1.5022147453059407
Energy: 0.9756457846629691
Energy: 1.5022147453059407
Energy: 0.965163341455985
Energy: 1.8462217050719385
Energy: 0.9376076278429967
Energy: 1.8462217050719385
Energy: 0.9657547593740582
Energy: 1.9159276000041132
Energy: 0.9713636249821692
Energy: 1.9159276000029297
Energy: 0.973292322897162
Energy: 1.4628985043774818
Energy: 0.9711399511392361
Energy: 1.4628985043774818
Energy: 0.9717791954932521
Energy: 1.5023375445042741
Energy: 0.9647078340896132
Energy: 1.5023375445042741

minimum gb energy = 0.9376076278429967 eV
minimum distance =  2.32175564988016 Angstroms
sigma value = 25


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

Energy: 0.9505545957458412
Energy: 1.5395290301535716
Energy: 0.9712292788972653
Energy: 1.5395290301535716
Energy: 1.4443693762821643
Energy: 1.5676899935666275
Energy: 0.8757415488205657
Energy: 1.5676899935657034
Energy: 0.8738266886765079
Energy: 0.8708609696419826
Energy: 1.5047116687485753
Energy: 0.8708609696419826
Energy: 1.131665262232949
Energy: 1.5673966968969906
Energy: 0.875610318381904
Energy: 1.5673966968960666
Energy: 0.8784777495601486
Energy: 1.5680874544634755
Energy: 1.6339474303092707
Energy: 1.5680874544634755
Energy: 0.8210962315990945
Energy: 1.5692725284351963
Energy: 0.8797398979470874
Energy: 1.5692725284351963
Energy: 0.8778340363526371
Energy: 1.2113289116601083
Energy: 1.1662896436213288
Energy: 1.21132891165826
Energy: 0.8126420972476707
Energy: 1.281611863305297
Energy: 0.8750791476905952
Energy: 1.281611863305297
Energy: 0.8791189416427213
Energy: 1.5671471186704198
Energy: 1.3639763123135924
Energy: 1.5671471186694959
Energy: 0.8236934592974837
Energy: 1.5369619643743058
Energy: 0.9520052233076177
Energy: 1.5369619643743058
Energy: 0.8778481448592003
Energy: 1.211738043481606
Energy: 1.444289713690832
Energy: 1.211738043480682
Energy: 1.144791915105949
Energy: 1.6663394096728208
Energy: 0.8753136274795471
Energy: 1.6663394096718964
Energy: 0.8785774582998582
Energy: 1.5671882223371443
Energy: 1.1313788648833198
Energy: 1.5671882223371443
Energy: 1.1905017770135853
Energy: 1.5983078820820753
Energy: 0.875905125560339
Energy: 1.5983078820820753
Energy: 0.8780243160262192
Energy: 1.2118017493602424
Energy: 0.8208156263087956
Energy: 1.2118017493611668
Energy: 1.1624784416919942
Energy: 1.6658998941324896
Energy: 0.8812518283080772
Energy: 1.6658998941324896
Energy: 0.8752877911914893
Energy: 1.2812961235022178
Energy: 0.8135244899828755
Energy: 1.2812961235022178
Energy: 1.1852579293874521
Energy: 1.5663929582584468
Energy: 0.8760017916402946
Energy: 1.5663929582612193
Energy: 0.9561389967730679
Energy: 1.5359048636947685
Energy: 0.824041957081468
Energy: 1.5359048636938446
Energy: 1.4479230532118328
Energy: 1.626244246790291
Energy: 0.881285926940325
Energy: 1.6262442467893667
Energy: 0.8791074632116845
Energy: 1.6612920421111903
Energy: 0.8100672689289871
Energy: 1.6612920421111903
Energy: 0.8696860891160249
Energy: 1.5662076415404045
Energy: 0.8761368632200609
Energy: 1.5662076415404045
Energy: 0.8779829082629883
Energy: 1.5971943794648351
Energy: 1.190935870527111
Energy: 1.5971943794648351
Energy: 0.8204171393025789
Energy: 1.6220137183068428
Energy: 0.8817935181070196
Energy: 1.6220137183059187
Energy: 0.8745673298782574
Energy: 1.6610911922043958
Energy: 1.1721066778185152
Energy: 1.6610911922034715
Energy: 0.8239688535797699
Energy: 1.2818414577111799
Energy: 0.8695314041656338
Energy: 1.2818414577111799

minimum gb energy = 0.8100672689289871 eV
minimum distance =  2.22248209258765 Angstroms
sigma value = 41


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

Energy: 1.2807554021169425
Energy: 1.3655863528933596
Energy: 0.8723781428176184
Energy: 1.3655863528941175
Energy: 1.6183239139208534
Energy: 1.3440740692648772
Energy: 0.7579494040845627
Energy: 1.3440740692648772
Energy: 0.8002178531884379
Energy: 1.326837033493306
Energy: 1.3928525606018558
Energy: 1.3268370334948214
Energy: 1.2435129502285522
Energy: 1.3438517899527362
Energy: 0.7580778886485967
Energy: 1.3438517899504632
Energy: 0.7544323247874073
Energy: 1.3468218716859526
Energy: 1.0122516068141745
Energy: 1.3468218716859526
Energy: 0.9837753955193957
Energy: 1.3465662478857015
Energy: 0.7577544011938434
Energy: 1.3465662478857015
Energy: 0.7570420925945857
Energy: 1.3446171833516023
Energy: 1.021583510549794
Energy: 1.3446171833493292
Energy: 0.7225325350646233
Energy: 1.086235538279832
Energy: 0.7550542756276684
Energy: 1.0862355330365128
Energy: 0.759930574768032
Energy: 1.432919043224659
Energy: 1.3488129347544904
Energy: 1.432919043224659
Energy: 0.7166582304852471
Energy: 1.3256709636617297
Energy: 0.8010388016428684
Energy: 1.3256709636617297
Energy: 0.7573487908237331
Energy: 1.344915534838899
Energy: 1.4331937364978231
Energy: 1.3449155348381412
Energy: 0.7243457563503636
Energy: 1.3664791525008047
Energy: 1.275884390774781
Energy: 1.3664791525023203
Energy: 0.7597053992862771
Energy: 1.443331487208052
Energy: 1.5277719291605145
Energy: 1.4433314872095673
Energy: 1.0108226854905964
Energy: 1.5034765484333263
Energy: 0.8010112478516154
Energy: 1.503476548434084
Energy: 0.7570466447981297
Energy: 1.3445383570029414
Energy: 1.243421557221501
Energy: 1.3445383570029414
Energy: 1.0397747484338893
Energy: 1.4331077316456422
Energy: 0.7551897867002678
Energy: 1.4331077316464
Energy: 0.7599478742976
Energy: 1.4435941587805898
Energy: 0.983681556100009
Energy: 1.4435941587805898
Energy: 1.0205304201079668
Energy: 1.5033512767877573
Energy: 0.7580452846896281
Energy: 1.5033512767892727
Energy: 0.757201273662917
Energy: 1.085925259187929
Energy: 0.722134747713976
Energy: 1.0859252591894444
Energy: 1.04740659333765
Energy: 1.4335323803033853
Energy: 0.7631786641845265
Energy: 1.433532380301112
Energy: 0.8032799674811999
Energy: 1.442999408126748
Energy: 0.7165983079563382
Energy: 1.4429994081275062
Energy: 1.4446389466587837
Energy: 1.5275678271457718
Energy: 0.7580804115974342
Energy: 1.5275678271457718
Energy: 1.2714526569886109
Energy: 1.3639699634247295
Energy: 0.724596254065791
Energy: 1.3639699634254872
Energy: 1.2701635470970474
Energy: 1.4446549194281169
Energy: 0.762944958387882
Energy: 1.4446549194273592
Energy: 0.8035178040271302
Energy: 1.498849738976627
Energy: 0.7195750304967562
Energy: 1.4988497389758693
Energy: 1.243802151548169
Energy: 1.5313029729661698
Energy: 0.7583165836624824
Energy: 1.5313029729669276
Energy: 0.757428860399811
Energy: 1.4300107152063373
Energy: 1.0400353169153183
Energy: 1.4300107152055794
Energy: 0.7520211023878564
Energy: 1.441685029825758
Energy: 0.762819802120618
Energy: 1.441685029825758
Energy: 0.7602993760435606
Energy: 1.4990286654045621
Energy: 1.0190153755569185
Energy: 1.4990286654053198
Energy: 0.7225018040248647
Energy: 1.49099908924195
Energy: 0.760803175355837
Energy: 1.4909990892427079
Energy: 0.7614290946001443
Energy: 1.429760422996659
Energy: 1.0440512204373555
Energy: 1.4297604229959011
Energy: 0.7244252096930947
Energy: 1.442836835838991
Energy: 0.8072569388014296
Energy: 1.442836835838233

minimum gb energy = 0.7165983079563382 eV
minimum distance =  2.21677575328335 Angstroms
sigma value = 15


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

Energy: 1.2456843413255658
Energy: 1.3527053980083341
Energy: 0.8042376673128432
Energy: 1.3527053980070505
Energy: 1.6143147095656147
Energy: 0.7013052762568214
Energy: 0.7034037877580612
Energy: 0.7013052762542539
Energy: 0.8512880581509827
Energy: 0.8825422290238506
Energy: 0.9206828691565432
Energy: 0.8825422290526773
Energy: 1.3394054310685573
Energy: 0.9688126228152752
Energy: 0.7031965413038905
Energy: 0.9688126228184847
Energy: 0.8127020564404862
Energy: 1.3484217259653908
Energy: 0.9224249951006575
Energy: 1.3484217259666744
Energy: 1.1795745830348805
Energy: 0.95454135447765
Energy: 0.7025925148735738
Energy: 0.954541354489204
Energy: 0.7129121727778039
Energy: 0.7249201277608711
Energy: 1.0311874547033235
Energy: 0.7249201277589454
Energy: 0.987779501799196
Energy: 0.7168763948858218
Energy: 0.7135179950146628
Energy: 0.7168763948819704
Energy: 0.7045016046667367
Energy: 1.3488165907136858
Energy: 1.2229480382640392
Energy: 1.3488165907149696
Energy: 0.7629139837961895
Energy: 0.9568267447105229
Energy: 0.813256272708803
Energy: 0.9568267446951176
Energy: 0.7027602524671088
Energy: 0.9549876025938255
Energy: 1.3998508240265655
Energy: 0.9549876025899742
Energy: 0.6492456997509389
Energy: 0.8479859478248155
Energy: 0.851795717795667
Energy: 0.8479859478209643
Energy: 0.704647771836973
Energy: 1.3671831325204762
Energy: 1.5227083420262393
Energy: 1.3671831325211181
Energy: 0.6526344476803124
Energy: 1.3324763865646958
Energy: 1.1443853279251794
Energy: 1.3324763865640539
Energy: 0.7028803796744955
Energy: 1.199510929042041
Energy: 1.4384409741937516
Energy: 1.1995109290401154
Energy: 0.9206683905512157
Energy: 0.8482743015007547
Energy: 0.851917363991139
Energy: 0.8482743014077394
Energy: 0.7045911093362546
Energy: 1.342468834607805
Energy: 1.423662008087386
Energy: 1.3424688346116564
Energy: 0.9338496641235255
Energy: 1.3452181464784758
Energy: 0.8133646657733312
Energy: 1.3452181464804016
Energy: 0.7031953976144188
Energy: 1.1945868815977803
Energy: 1.1981348970503212
Energy: 1.1945868816009897
Energy: 1.0290169462086418
Energy: 1.2586666285148762
Energy: 0.7137592061458289
Energy: 1.2586666285090995
Energy: 0.7151654950238387
Energy: 0.9916862770717504
Energy: 0.9874377403208545
Energy: 0.9916862730072058
Energy: 1.0351390806548015
Energy: 1.3471467855226016
Energy: 0.707039129037309
Energy: 1.3471467855174666
Energy: 0.8129654235080267
Energy: 1.1972862216440814
Energy: 0.76203277710863
Energy: 1.1972862216440814
Energy: 1.4012548304679275
Energy: 0.9543413778833737
Energy: 0.7032426245670873
Energy: 0.9543413778878669
Energy: 0.8530584720679819
Energy: 0.7396479646261769
Energy: 0.7564173156530395
Energy: 0.7396479632069066
Energy: 1.384065227355949
Energy: 1.3554010944634747
Energy: 0.706740776318074
Energy: 1.3554010944634747
Energy: 1.238840372096621
Energy: 1.34602059627907
Energy: 0.6522035895714419
Energy: 1.346020596284847
Energy: 1.5179222701617991
Energy: 0.7019273818303455
Energy: 0.7035140589005355
Energy: 0.7019273818399738
Energy: 0.8530045981956951
Energy: 1.376750932725044
Energy: 0.6581021163030956
Energy: 1.3767509327282534
Energy: 1.2196034644892946
Energy: 1.3392568934796936
Energy: 0.7067452315229482
Energy: 1.3392568934829028
Energy: 0.8130879510251969
Energy: 1.341754572430759
Energy: 0.9363640693598485
Energy: 1.341754572430117
Energy: 1.1938963114682273
Energy: 0.9570928609563588
Energy: 0.7047296283279051
Energy: 0.9570928609435211
Energy: 0.7153561302269972
Energy: 1.376587308665991
Energy: 1.028238859356265
Energy: 1.3765873086640656
Energy: 0.7809608971566788
Energy: 1.0570125101376247
Energy: 0.7178331374692049
Energy: 1.0570125101318475
Energy: 0.6907786618196565
Energy: 1.341692383102322
Energy: 1.0355604651755947
Energy: 1.3416923830997547
Energy: 0.7615834900218257
Energy: 1.0856337794309718
Energy: 0.8152690590974544
Energy: 1.0856337794341813
Energy: 0.70482758420431
Energy: 1.3764764039820698
Energy: 1.3969447986146721
Energy: 1.3764764039827115

minimum gb energy = 0.6492456997509389 eV
minimum distance =  2.24585267572753 Angstroms
sigma value = 85


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

Energy: 1.0830532242977833
Energy: 1.2528614209115279
Energy: 0.6867930179341304
Energy: 1.2528614209115279
Energy: 1.572940335625051
Energy: 1.1885973398823784
Energy: 0.6464018452803557
Energy: 1.1885973398829353
Energy: 1.035495148842584
Energy: 1.1248420194566617
Energy: 0.7939723621509869
Energy: 1.1248420194566617
Energy: 1.2695805297483447
Energy: 1.187836930672575
Energy: 0.6465704917745724
Energy: 1.1878369306714613
Energy: 0.7000540736154419
Energy: 1.077005750871816
Energy: 0.8040573773021951
Energy: 1.077005750871816
Energy: 1.1139588534748963
Energy: 1.1892916407669223
Energy: 0.6466193632643938
Energy: 1.189291640767479
Energy: 0.6469024819413753
Energy: 0.8922560621398226
Energy: 0.7905830238215223
Energy: 0.8922560621420493
Energy: 0.9706131782254247
Energy: 1.186697471993553
Energy: 0.646677614444375
Energy: 1.1866974719941097
Energy: 0.6464569745415538
Energy: 0.6699359059995853
Energy: 0.9833988611354376
Energy: 0.6699359059984717
Energy: 0.7766018269915757
Energy: 0.8910098888839303
Energy: 0.6463140430658741
Energy: 0.8910098888822603
Energy: 0.6473311292737007
Energy: 1.1882054037539285
Energy: 1.168231535743553
Energy: 1.1882054037539285
Energy: 0.5679740117914345
Energy: 1.1866753093125346
Energy: 0.7006630773010488
Energy: 1.1866753093130915
Energy: 0.6462279203664852
Energy: 0.6699735773967289
Energy: 1.3013534196603809
Energy: 0.6699735773961722
Energy: 0.5593076759858374
Energy: 1.1249052098873866
Energy: 1.0339519004440378
Energy: 1.1249052098868302
Energy: 0.6474371740077356
Energy: 1.187816963618944
Energy: 1.4184917041245304
Energy: 1.187816963618944
Energy: 0.5682956303937026
Energy: 1.252881851428282
Energy: 1.0846745217079927
Energy: 1.2528818514277253
Energy: 0.6461535689396127
Energy: 0.6700237038258027
Energy: 1.4186613400947665
Energy: 0.6700237038274729
Energy: 0.770246069811607
Energy: 0.6988720012035262
Energy: 1.0341457007404364
Energy: 0.6988720012102067
Energy: 0.6471806169958538
Energy: 1.1877698982761786
Energy: 1.2695739090643654
Energy: 1.187769898275622
Energy: 0.7907551937055194
Energy: 1.275359947058309
Energy: 0.7003210975383587
Energy: 1.275359947058866
Energy: 0.6462964806185955
Energy: 0.6699731621221157
Energy: 1.1780012606036907
Energy: 0.6699731621204456
Energy: 0.7906932123565305
Energy: 1.1885277703859443
Energy: 0.646940617515066
Energy: 1.1885277703853874
Energy: 0.6477419595871594
Energy: 1.1858354046691728
Energy: 0.9707058435905138
Energy: 1.1858354046697297
Energy: 0.8206843454067604
Energy: 1.2728917602457968
Energy: 0.6466717913280924
Energy: 1.2728917602446832
Energy: 0.6465650056586385
Energy: 0.6987276164030558
Energy: 0.7765183752509885
Energy: 0.6987276164030558
Energy: 1.1680848213985273
Energy: 1.1889279381483946
Energy: 0.6486103509715252
Energy: 1.1889279381478381
Energy: 0.7001953768245446
Energy: 1.1856004799978055
Energy: 0.5672869871392991
Energy: 1.1856004799978055
Energy: 1.192838830798073
Energy: 1.2776304353806962
Energy: 0.6468282032613997
Energy: 1.2776304353806962
Energy: 1.0320541071854237
Energy: 0.6976094193036556
Energy: 0.559161840613379
Energy: 0.6976094193019855
Energy: 1.4190330842101688
Energy: 1.1876399776861268
Energy: 0.6483522175703854
Energy: 1.1876399776855702
Energy: 1.0852759478016731
Energy: 1.2444317643592735
Energy: 0.567963994542159
Energy: 1.2444317643598302
Energy: 1.3203510200855373
Energy: 1.2778392196746742
Energy: 0.6469683176028183
Energy: 1.2778392196746742
Energy: 1.0322353926173944
Energy: 0.6976357098101293
Energy: 0.5520313812039656
Energy: 0.6976357099269878
Energy: 1.270197259560723
Energy: 1.1878542754589767
Energy: 0.6484466901837529
Energy: 1.1878542754573065
Energy: 0.700109456588491
Energy: 1.2682160368502535
Energy: 0.7908353419953349
Energy: 1.2682160368502535
Energy: 0.9877656907075543
Energy: 1.277146755979469
Energy: 0.6470809036937792
Energy: 1.2771467559878198
Energy: 0.646418244572978
Energy: 1.1863377940885642
Energy: 0.7899994120940378
Energy: 1.1863377940891209
Energy: 0.9705794581605273
Energy: 1.1941327294420585
Energy: 0.6486331650542195
Energy: 1.1941327294420585
Energy: 0.6477140078464709
Energy: 1.2684717352655468
Energy: 0.8206443072694163
Energy: 1.2684717352655468
Energy: 0.5982887186600979
Energy: 1.247371421274171
Energy: 0.6477867506337428
Energy: 1.2473714212736142
Energy: 0.6450337992627205
Energy: 1.1859135440247435
Energy: 1.168023977781061
Energy: 1.1859135440253004
Energy: 0.5669985496880201
Energy: 1.1942577022124155
Energy: 0.7014943585062964
Energy: 1.1942577022129721
Energy: 0.6476690675009837
Energy: 1.2683346951518213
Energy: 1.193297070795521
Energy: 1.2683346951507077

minimum gb energy = 0.5520313812039656 eV
minimum distance =  2.25855811400824 Angstroms
sigma value = 113


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

Energy: 0.017990445635672713
Energy: 0.0187583938913179
Energy: 0.9103942243473752
Energy: 0.0187583938913179
Energy: 0.9096020312983024
Energy: 2.3198743261146006
Energy: 0.3257334972915128
Energy: 2.3198743261141725
Energy: 0.017990445635292295
Energy: 0.0187583938913179
Energy: 0.9106097135507225
Energy: 0.018758393891745866
Energy: 0.9096020312987305
Energy: 2.3198743261146006
Energy: 0.32573349729232126
Energy: 2.3198743261137444
Energy: 0.017990445635672713
Energy: 0.018758393890889926
Energy: 0.9102572332449533
Energy: 0.0187583938913179
Energy: 0.9096020312987305
Energy: 2.3198743261146006
Energy: 0.3257334972927492
Energy: 2.3198743261137444

minimum gb energy = 0.017990445635292295 eV
minimum distance =  2.58150642435929 Angstroms
sigma value = 1