Model name: model_name=EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.560000121593475
cohesive_energy=4.4003460121350955
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-6.3070484285727e-19, -6.83589489192342e-19, -1.7336352268197e-19, 2.6198311666177797e-19, 4.75580498976756e-19, 5.074429856971139e-19, 4.9400873462102395e-19, 5.080998781170539e-19, 5.33946191576742e-19, 5.622230069902079e-19, 5.891523918544799e-19, 6.13402937386704e-19, 6.34450731827562e-19, 6.52031416032444e-19, 6.66074494229454e-19, 6.76970897517288e-19, 6.852637637748719e-19, 6.914882199979619e-19, 6.961072952337839e-19, 6.99484683578256e-19, 7.018863463526219e-19, 7.0354780352208e-19, 7.04582809627644e-19, 7.0495771896e-19, 7.044674529099959e-19, 7.0264257372387e-19, 6.986611647883799e-19, 6.91400100283092e-19, 6.799333221135539e-19, 6.642432063367919e-19, 6.45646742145954e-19, 6.2680354275348e-19, 6.10756141587336e-19, 5.97222555559938e-19, 5.84022222272412e-19, 5.71691870897148e-19, 5.65196646822912e-19, 5.740743075519059e-19, 6.141383364617099e-19, 7.103923021025279e-19, 9.140305544605619e-19, 1.378115436088368e-18, 2.45536773513768e-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: 0.01750047998272606
Energy: 0.09451206574579983
Energy: 1.2191590356859212
Energy: 0.018467877414284056
Energy: 0.09451206575151276
Energy: 1.032938808664959
Energy: 0.018467877414284056
Energy: 1.0329388086706361
Energy: 1.2191590356840172
Energy: 0.01846787741363731
Energy: 0.01750047998211524
Energy: 0.09451206574709331
Energy: 0.018467877414284056
Energy: 1.0329388086662166
Energy: 0.09451206574770413
Energy: 1.0329388086662166

minimum gb energy = 0.01750047998211524 eV
minimum distance =  2.45728038653621 Angstroms
sigma value = 1


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

Energy: 1.3295547764894973
Energy: 1.269871681577369
Energy: 1.2698404404138068
Energy: 1.1594476718116105
Energy: 1.205711624050353
Energy: 1.238985476554005
Energy: 1.2063029222366524
Energy: 1.2389854765555737
Energy: 1.2677973189269716
Energy: 1.2697766952894969
Energy: 1.2024982701539608
Energy: 1.2697766952926341
Energy: 1.2058333364455691
Energy: 1.2270823943902691
Energy: 1.2063756245364907
Energy: 1.2270823943910534
Energy: 1.2739032571548163
Energy: 1.2693171747150367
Energy: 1.2069492739060723
Energy: 1.2693171747150367
Energy: 1.2771025928765418
Energy: 1.3593368612621606
Energy: 1.2061882577935257
Energy: 1.3593368612637293
Energy: 1.2666743974288224
Energy: 1.3663021532938064
Energy: 1.27515800211571
Energy: 1.366302153294591
Energy: 1.264306914928793
Energy: 1.332736424414126
Energy: 1.2892020746781725
Energy: 1.3327364244125575
Energy: 1.269453241197856
Energy: 1.3372898826220425
Energy: 1.272966115765715
Energy: 1.3372898826204738
Energy: 1.2788125319669725
Energy: 1.3233356983005358
Energy: 1.2727715602144203
Energy: 1.3233356982973985
Energy: 1.2683141610211373
Energy: 1.3380129657900626
Energy: 1.2727847604257108
Energy: 1.3380129657916313
Energy: 1.283977956899638
Energy: 1.3358458754064915
Energy: 1.2914642116278916
Energy: 1.335845875409629
Energy: 1.2703684831459725
Energy: 1.3585715514648515
Energy: 1.2758559589692875
Energy: 1.3585715514648515
Energy: 1.278144105283322
Energy: 1.3591678010935822
Energy: 1.26449418799214
Energy: 1.359167801092798
Energy: 1.2613100060842264
Energy: 1.2705981710360448
Energy: 1.2071451899875492
Energy: 1.2705981710360448
Energy: 1.2263090360513935
Energy: 1.2054769701375987
Energy: 1.2057352286543699
Energy: 1.2054769700913213
Energy: 1.2693631173148754
Energy: 1.2699277884816362
Energy: 1.154292750160962
Energy: 1.2699277884816362
Energy: 1.2062117112927357
Energy: 1.2728071205557758
Energy: 1.2481187067556734
Energy: 1.2728071205542073
Energy: 1.2160535669615933
Energy: 1.2698569657733325
Energy: 1.2706788066781727
Energy: 1.269856965774117
Energy: 1.2745840961480455
Energy: 1.2698302075448702
Energy: 1.2053607202952856
Energy: 1.2698302075456547
Energy: 1.2077628323151997
Energy: 1.2717770921451421
Energy: 1.2732087025432952
Energy: 1.2717770921420049
Energy: 1.2063405829208513
Energy: 1.2058284315815755
Energy: 1.277030086825989
Energy: 1.20582843158236
Energy: 1.276185224765685
Energy: 1.3692424950037363
Energy: 1.2676076568698915
Energy: 1.3692424950045206
Energy: 1.288056062942657
Energy: 1.3073230061706032
Energy: 1.2656888646861233
Energy: 1.3073230061706032
Energy: 1.278962133735249
Energy: 1.3378686054197182
Energy: 1.2689743754662397
Energy: 1.3378686054197182
Energy: 1.274406467499131
Energy: 1.3398373352447603
Energy: 1.2812172621624833
Energy: 1.339837335243976
Energy: 1.272935152327856
Energy: 1.3390658602755563
Energy: 1.2682673778729554
Energy: 1.3390658602755563
Energy: 1.2884620150603046
Energy: 1.3385495651904757
Energy: 1.280193278408835
Energy: 1.3385495651912602
Energy: 1.2746043522638033
Energy: 1.3593426590750528
Energy: 1.269132945079672
Energy: 1.3593426590758375
Energy: 1.2638644727254649
Energy: 1.3617646899036893
Energy: 1.2793317879976358
Energy: 1.3617646899036893
Energy: 1.2229396109612354
Energy: 1.2698930273577222
Energy: 1.2616761727324202
Energy: 1.2698930273577222
Energy: 1.2053952768484575
Energy: 1.268483468899461
Energy: 1.2267097851643556
Energy: 1.2684834688963234
Energy: 1.1551258017306079
Energy: 1.2054779070093653
Energy: 1.270775753810666
Energy: 1.2054779070117183

minimum gb energy = 1.154292750160962 eV
minimum distance =  2.33550228628959 Angstroms
sigma value = 1


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

Energy: 1.363353887517453
Energy: 1.3619111765834475
Energy: 1.3630385895195571
Energy: 1.2384276551972448
Energy: 1.2921231188166558
Energy: 1.3233242327316272
Energy: 1.2924606480778025
Energy: 1.3233242327316272
Energy: 1.360519867940018
Energy: 1.362434522832612
Energy: 1.2877985228833002
Energy: 1.3624345228317176
Energy: 1.2917490896737636
Energy: 1.3669003297416393
Energy: 1.2925107866228005
Energy: 1.3669003297380622
Energy: 1.3039042327169246
Energy: 1.3650236499044077
Energy: 1.2927865886510634
Energy: 1.3650236498999362
Energy: 1.3725306173576857
Energy: 1.4637417313287826
Energy: 1.2932355282340577
Energy: 1.4637417313252055
Energy: 1.3625810363001063
Energy: 1.473555692044243
Energy: 1.357513677096827
Energy: 1.4735556920460313
Energy: 1.361279582701981
Energy: 1.422994310027039
Energy: 1.3810445196423329
Energy: 1.422994310027933
Energy: 1.3767120923242875
Energy: 1.4481834717864885
Energy: 1.3692871303555831
Energy: 1.4481834717811224
Energy: 1.381624522336322
Energy: 1.4482448971451525
Energy: 1.3791352914750985
Energy: 1.4482448971371038
Energy: 1.358810457661581
Energy: 1.4681718084397797
Energy: 1.3622687339850965
Energy: 1.4681718084415685
Energy: 1.3588235180135593
Energy: 1.468188570779429
Energy: 1.3730706826613026
Energy: 1.4681885707749576
Energy: 1.2934235164373107
Energy: 1.363762626125912
Energy: 1.355209605483564
Energy: 1.3637626261321723
Energy: 1.2931862657670188
Energy: 1.3671271225570703
Energy: 1.3108994341292588
Energy: 1.3671271225552815
Energy: 1.2302376506707613
Energy: 1.361696020280384
Energy: 1.3620041054363512
Energy: 1.3616960202839208
Energy: 1.3423732118252312
Energy: 1.3691511273445223
Energy: 1.293481033815365
Energy: 1.3691511272828554
Energy: 1.3645805145534207
Energy: 1.3616705124285178
Energy: 1.3012737814115798
Energy: 1.3616705124258346
Energy: 1.2916358541774422
Energy: 1.367896377455623
Energy: 1.3690931694923985
Energy: 1.367896377451192
Energy: 1.3035232462961155
Energy: 1.366245520883656
Energy: 1.2926109875699605
Energy: 1.36624552087829
Energy: 1.37153122186987
Energy: 1.2929642784354374
Energy: 1.292597275378678
Energy: 1.2929642784310063
Energy: 1.363970626180747
Energy: 1.476249363406396
Energy: 1.371577127957315
Energy: 1.4762493634046074
Energy: 1.3606794214810025
Energy: 1.411889476980508
Energy: 1.3829701265192544
Energy: 1.411889476987622
Energy: 1.3763670015826364
Energy: 1.449617193541462
Energy: 1.368755635497982
Energy: 1.449617193540568
Energy: 1.3811824916373303
Energy: 1.4477614829425198
Energy: 1.3773520448913306
Energy: 1.4477614829443084
Energy: 1.3654132217961652
Energy: 1.4695484095201228
Energy: 1.361357181412112
Energy: 1.4695484095165454
Energy: 1.358290063801325
Energy: 1.4696997057911
Energy: 1.3742375162351468
Energy: 1.4696997057937828
Energy: 1.3154389082257305
Energy: 1.3631503710942081
Energy: 1.355049515887596
Energy: 1.3631503710986794
Energy: 1.2929254807556014
Energy: 1.3637029188542624
Energy: 1.3114854831980804
Energy: 1.3637029188551566
Energy: 1.2301633714500921
Energy: 1.2930580244832417
Energy: 1.3614290362250467
Energy: 1.2930580244868186

minimum gb energy = 1.2301633714500921 eV
minimum distance =  2.33716014405508 Angstroms
sigma value = 25


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

Energy: 2.2591601036993767
Energy: 1.464912872967549
Energy: 1.4651283343450592
Energy: 1.3261064099868167
Energy: 1.3973105663944938
Energy: 1.416266713743031
Energy: 1.3973298052290257
Energy: 1.416266713743031
Energy: 1.46536430005695
Energy: 1.464640222712374
Energy: 1.3887561321102657
Energy: 1.4646402227113344
Energy: 1.39473040042926
Energy: 1.4809147707529329
Energy: 1.3976256002132312
Energy: 1.4809147707539727
Energy: 1.3925876610046912
Energy: 1.4768582055551946
Energy: 1.3967928039557236
Energy: 1.4768582055562345
Energy: 1.4867181153871436
Energy: 1.3975635043958172
Energy: 1.3972651206743383
Energy: 1.3975635043958172
Energy: 1.4872312928715012
Energy: 1.601947246234181
Energy: 1.4654069611985714
Energy: 1.6019472462321016
Energy: 1.4875978651509383
Energy: 1.5474918231042305
Energy: 1.4926459261822573
Energy: 1.54749182310527
Energy: 1.4884171115860856
Energy: 1.601337783556682
Energy: 1.4826001526666113
Energy: 1.6013377835587612
Energy: 1.4877215964795116
Energy: 1.6036979962421691
Energy: 1.397641947154598
Energy: 1.6036979962432087
Energy: 1.318848934199133
Energy: 1.4761879489180811
Energy: 1.4000228098962744
Energy: 1.4761879489180811
Energy: 1.4059398152571583
Energy: 1.4821805023587384
Energy: 1.3965524905576612
Energy: 1.4821805023587384
Energy: 1.4647145445982714
Energy: 1.4654575703563202
Energy: 1.315474764720365
Energy: 1.4654575703552806
Energy: 1.3970925525701334
Energy: 1.47692445479183
Energy: 1.4617159961817783
Energy: 1.4769244547928697
Energy: 1.3901502439445148
Energy: 1.4646461149728869
Energy: 1.4684158553582092
Energy: 1.464646114969768
Energy: 1.4820487708048136
Energy: 1.4775219974559932
Energy: 1.3947748755347877
Energy: 1.477521997459112
Energy: 1.3979457087381282
Energy: 1.479968470212506
Energy: 1.3936367760539627
Energy: 1.479968470212506
Energy: 1.3996381078238456
Energy: 1.4812874635267599
Energy: 1.487083860952116
Energy: 1.4812874635257203
Energy: 1.4652483062396844
Energy: 1.6045421007062863
Energy: 1.488837767255887
Energy: 1.604542100705247
Energy: 1.4942117412993303
Energy: 1.5478390478982185
Energy: 1.488365882704267
Energy: 1.5478390479065354
Energy: 1.489945882484365
Energy: 1.6035446705170697
Energy: 1.4883653930023746
Energy: 1.6035446705170697
Energy: 1.4817026404553426
Energy: 1.6014253226978639
Energy: 1.4890926959491642
Energy: 1.6014253226978639
Energy: 1.4248702245733946
Energy: 1.475530372522628
Energy: 1.318609327918162
Energy: 1.475530372522628
Energy: 1.3970889762592944
Energy: 1.4764224069976093
Energy: 1.4064351824139714
Energy: 1.4764224069996887
Energy: 1.3145463449309813
Energy: 1.3950857115550483
Energy: 1.466730179961139
Energy: 1.3950857115540087

minimum gb energy = 1.3145463449309813 eV
minimum distance =  2.33569090799838 Angstroms
sigma value = 9


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

Energy: 2.267779566296207
Energy: 1.6014059441720099
Energy: 1.6022693565541346
Energy: 1.4945218949753152
Energy: 1.5281727253457702
Energy: 1.5344330764287621
Energy: 1.5249027116216394
Energy: 1.5344330764374434
Energy: 1.5991654816941296
Energy: 1.5971222361129591
Energy: 1.6476852872219498
Energy: 1.5971222361104787
Energy: 1.5198567585301526
Energy: 1.5325978728305925
Energy: 1.5136156842486495
Energy: 1.5325978728256318
Energy: 1.4667786415267778
Energy: 1.626014532446464
Energy: 1.510123686507697
Energy: 1.6260145324489446
Energy: 1.5919775624999917
Energy: 1.503270487893272
Energy: 1.5080945463395934
Energy: 1.5032704879044054
Energy: 1.5578082597588048
Energy: 1.7328535296306427
Energy: 1.5123939565933564
Energy: 1.7328535296318828
Energy: 1.6388053207536482
Energy: 1.6828153282104321
Energy: 1.6108008925812551
Energy: 1.682815328209192
Energy: 1.6286556685483629
Energy: 1.7271381737056497
Energy: 1.4874951511341226
Energy: 1.7271381737044096
Energy: 1.6291218546669577
Energy: 1.7771647784993205
Energy: 1.4636792540010666
Energy: 1.7771647785018008
Energy: 1.4066053111482613
Energy: 1.4115558433016369
Energy: 1.432456116982342
Energy: 1.411555843296676
Energy: 1.5976954240826304
Energy: 1.4109533326145205
Energy: 1.431921657237113
Energy: 1.4109533326157608
Energy: 1.6946295936260891
Energy: 1.6942872031988938
Energy: 1.646559552313525
Energy: 1.6942872031988938
Energy: 1.6295283188484493
Energy: 1.412467031050973
Energy: 1.5607813433334716
Energy: 1.4124670310472527
Energy: 1.4660935846088852
Energy: 1.5534539685948978
Energy: 1.507707492205711
Energy: 1.553453968597378
Energy: 1.5299302397159689
Energy: 1.5529309759589387
Energy: 1.5072249598822494
Energy: 1.5529309759589387
Energy: 1.5589916446499026
Energy: 1.8048724587154268
Energy: 1.5048859243389678
Energy: 1.8048724587154268
Energy: 1.5750176205682425
Energy: 1.8046157495441923
Energy: 1.5010859855134038
Energy: 1.804615749542952
Energy: 1.5673245409475836
Energy: 1.6247370125313305
Energy: 1.4874762981745513
Energy: 1.6247370125313305
Energy: 1.5280982541168773
Energy: 1.625078210919652
Energy: 1.4873761686280853
Energy: 1.625078210919652
Energy: 1.483569952648949
Energy: 1.555040624758649
Energy: 1.6026116022078334
Energy: 1.555040624757409

minimum gb energy = 1.4066053111482613 eV
minimum distance =  2.28979797557305 Angstroms
sigma value = 25


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

Energy: 1.857304758057803
Energy: 1.7074814907830904
Energy: 1.710195629433281
Energy: 1.5076522947340745
Energy: 1.7072884906048367
Energy: 1.5795440174361264
Energy: 1.5263142082860988
Energy: 1.5795440174361264
Energy: 1.7081366872476138
Energy: 1.7070911861843836
Energy: 1.7042116753727485
Energy: 1.7070911861843836
Energy: 1.7079057447169135
Energy: 1.5751462409449895
Energy: 1.528767932136603
Energy: 1.5751462401539318
Energy: 1.5200958307428927
Energy: 1.773667740215485
Energy: 1.524837979862935
Energy: 1.773667740215485
Energy: 1.5016814375565082
Energy: 1.774225801039754
Energy: 1.5232494506811147
Energy: 1.7742258010412877
Energy: 1.4993090948338226
Energy: 1.767710578171179
Energy: 1.5281199530177123
Energy: 1.767710578171179
Energy: 1.4992913660021217
Energy: 1.5807454732876831
Energy: 1.532889870206496
Energy: 1.580745473272346
Energy: 1.7059253455065702
Energy: 1.7069729671406584
Energy: 1.8796448311939584
Energy: 1.7069729671406584
Energy: 1.7074261710050653
Energy: 1.5765315947312952
Energy: 1.7146087150852458
Energy: 1.5765315947021545
Energy: 1.7039635856701156
Energy: 1.7077179312376132
Energy: 1.7085072134470465
Energy: 1.7077179312376132
Energy: 1.7058346966758822
Energy: 1.5819301599550393
Energy: 1.7087265936950706
Energy: 1.5819301599581068
Energy: 1.5291821206242642
Energy: 1.7746968195944284
Energy: 1.5195580724361275
Energy: 1.7746968195944284
Energy: 1.5301635325558542
Energy: 1.7709800086030356
Energy: 1.5078296516060068
Energy: 1.7709800086061032
Energy: 1.525581570311777
Energy: 1.7659987463811428
Energy: 1.4998349046653023
Energy: 1.7659987463811428
Energy: 1.5299511967865178
Energy: 1.766447072470344
Energy: 1.5001101853730516
Energy: 1.7664470724688102
Energy: 1.884460046262471
Energy: 1.5045693457481062
Energy: 1.708318588606231
Energy: 1.5045693457588425

minimum gb energy = 1.4992913660021217 eV
minimum distance =  2.37533935761629 Angstroms
sigma value = 17


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

Energy: 2.5538150419837593
Energy: 1.8898989166470161
Energy: 1.8892390506169223
Energy: 1.7585768490653413
Energy: 1.560646550101154
Energy: 1.8110966870580072
Energy: 1.8017369406537498
Energy: 1.8110966870580072
Energy: 1.6522530732442915
Energy: 1.6488656767461178
Energy: 1.8852575549616324
Energy: 1.6488656767443808
Energy: 1.6501382951347021
Energy: 1.81084600093131
Energy: 1.6701350580039158
Energy: 1.8108460009304412
Energy: 1.6483553620631588
Energy: 1.6530248861434098
Energy: 1.5386661381385005
Energy: 1.653024886146016
Energy: 1.648188499955757
Energy: 1.6026579231934843
Energy: 1.6485042858942278
Energy: 1.6026579231960905
Energy: 1.7446724343144284
Energy: 1.6471797808851558
Energy: 1.6495572476098093
Energy: 1.6471797808834185
Energy: 2.0428349453792993
Energy: 1.6466398587836142
Energy: 1.5635377524501726
Energy: 1.646639858787957
Energy: 1.8947655345237895
Energy: 1.888719280021298
Energy: 1.894171773158215
Energy: 1.888719280021298
Energy: 1.893467657617073
Energy: 1.7150633971355782
Energy: 1.7995446936257553
Energy: 1.7150633971355782
Energy: 1.6447943409056596
Energy: 1.562101668421431
Energy: 1.5589531357011392
Energy: 1.5621016684257738
Energy: 1.8989965926046817
Energy: 1.5598743961050692
Energy: 1.5629471804263189
Energy: 1.5598743961154928
Energy: 1.7469501222097603
Energy: 1.5593801721466705
Energy: 1.6438799549881202
Energy: 1.5593801721536196
Energy: 1.7470125025656429
Energy: 1.5599889664609097
Energy: 1.559990790843443
Energy: 1.559988966465253
Energy: 1.890601529462511
Energy: 1.8986019919361277
Energy: 2.0400021641888415
Energy: 1.8986019919369963
Energy: 1.8888374053307346
Energy: 1.8878284699025047
Energy: 2.0122332930482685
Energy: 1.8878284698998988
Energy: 1.8883837204023939
Energy: 1.6467982337710705
Energy: 1.6482208544040304
Energy: 1.6467982337719393
Energy: 1.9036751366072795
Energy: 1.647019077399559
Energy: 1.6462028728998652
Energy: 1.6470190773986904
Energy: 1.6532110262870978
Energy: 1.6488699555087363
Energy: 1.6492918392184475
Energy: 1.6488699555764503
Energy: 1.746250156471331
Energy: 1.7143241475789104
Energy: 1.6487069076282692
Energy: 1.7143241475789104
Energy: 1.6495591037580453
Energy: 1.6480968105222975
Energy: 2.042430115539808
Energy: 1.6480968105231661
Energy: 1.647926823737673
Energy: 1.647977780640017
Energy: 1.7445141211348523
Energy: 1.6479777806617328
Energy: 1.7999911489390032
Energy: 1.7120333796545253
Energy: 1.7990800999425889
Energy: 1.7120333796545253
Energy: 1.8907360530122492
Energy: 1.8890949541842328
Energy: 1.8892997898676795
Energy: 1.88909495418597
Energy: 1.565108007138339
Energy: 1.5610822803979914
Energy: 1.899162333436882
Energy: 1.5610822803971227
Energy: 1.5625169818621365
Energy: 1.5600339256606444
Energy: 1.6457227135601946
Energy: 1.560033925658907
Energy: 1.5582343658061484
Energy: 1.5646731186270415
Energy: 1.7476559304837693
Energy: 1.5646731186296476
Energy: 1.5639062222640545
Energy: 1.5603712432810866
Energy: 1.7472475786024668
Energy: 1.5603712432828238
Energy: 1.5601473581716792
Energy: 1.8108619275754045
Energy: 1.7572955591454833
Energy: 1.8108619275771416
Energy: 2.040965196559786
Energy: 1.889690408677665
Energy: 1.8907588659378989
Energy: 1.8896904086759276

minimum gb energy = 1.5386661381385005 eV
minimum distance =  2.2871602333213 Angstroms
sigma value = 53


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

Energy: 2.318737268977122
Energy: 1.7998012010073208
Energy: 1.8024081389083162
Energy: 1.5162579812299695
Energy: 1.8016522940798467
Energy: 1.5674437489210105
Energy: 1.798174798864411
Energy: 1.5674437489909563
Energy: 1.801187840796082
Energy: 1.7981220942558487
Energy: 1.8075064111728472
Energy: 1.798122094253849
Energy: 1.7993298961604363
Energy: 1.5723570840353107
Energy: 1.803632542426816
Energy: 1.5723570840513088
Energy: 1.79903305582097
Energy: 1.5705882113555152
Energy: 1.4986473483865004
Energy: 1.5705882115613976
Energy: 1.798679269498572
Energy: 1.574094226231641
Energy: 1.5001693732950132
Energy: 1.5740942262136435
Energy: 2.0676661838779644
Energy: 1.797909136031212
Energy: 1.796826250187467
Energy: 1.7979091360272126
Energy: 2.0672311020849707
Energy: 1.5704534089179594
Energy: 1.8114772252706093
Energy: 1.570453408898007
Energy: 1.799878999730961
Energy: 1.798267158544918
Energy: 1.8102287215417032
Energy: 1.7982671585429637
Energy: 1.7972493248046453
Energy: 1.5731919314238194
Energy: 1.798824458516236
Energy: 1.5731919314398173
Energy: 1.7983391397350852
Energy: 1.571691973048679
Energy: 1.5104136159466715
Energy: 1.5716919730366803
Energy: 1.8003946737453154
Energy: 1.5726388948662628
Energy: 1.4992233734352622
Energy: 1.5726388948842607
Energy: 2.067645805219692
Energy: 1.572627483429237
Energy: 1.8107079136904531
Energy: 1.5726274834372362

minimum gb energy = 1.4986473483865004 eV
minimum distance =  2.36318534909753 Angstroms
sigma value = 9


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

Energy: 2.2259343355242813
Energy: 2.0107633048120697
Energy: 2.0168455403299443
Energy: 1.8234573178171856
Energy: 1.607145105717089
Energy: 1.6051785556934401
Energy: 1.992936001918122
Energy: 1.6051785556949205
Energy: 1.6196606681631822
Energy: 1.6099705802939792
Energy: 1.972935881701432
Energy: 1.6099705802954594
Energy: 1.6085245445369585
Energy: 1.6078909078471988
Energy: 2.135287618359379
Energy: 1.6078909078471988
Energy: 1.606418979706817
Energy: 1.6040489599386234
Energy: 2.1401798911411607
Energy: 1.6040489599408438
Energy: 1.6040566565141157
Energy: 1.6047298586671537
Energy: 2.1440231139640518
Energy: 1.6047298586671537
Energy: 1.9838848646084353
Energy: 1.9675097490016862
Energy: 1.9790324441488576
Energy: 1.9675097490046467
Energy: 1.9598014954011223
Energy: 1.9672277976337778
Energy: 1.9723610354962091
Energy: 1.967227797617495
Energy: 1.7107721008396917
Energy: 1.7646998787719974
Energy: 1.7184102576740874
Energy: 1.7646998787727377
Energy: 1.6017715903396208
Energy: 1.7296715350390297
Energy: 1.9774070401687078
Energy: 1.7296715350464313
Energy: 1.7067299211192573
Energy: 1.7091142217511475
Energy: 1.8171885491780957
Energy: 1.7091142217511475
Energy: 1.7193752113045442
Energy: 1.7109108195640628
Energy: 2.1499157891072627
Energy: 1.71091081956265
Energy: 1.9615727387239628
Energy: 1.7099397682394533
Energy: 1.7251218437610913
Energy: 1.7099397682372326
Energy: 1.9618019542519656
Energy: 1.7098078624665725
Energy: 1.712891231439629
Energy: 1.7098078624665725
Energy: 1.9762641110714545
Energy: 1.7205376115575686
Energy: 1.7252374452404529
Energy: 1.7205376115612692
Energy: 1.814404401623921
Energy: 1.7665784339549107
Energy: 1.7182980429031345
Energy: 1.7665784348041857
Energy: 1.9791706721569446
Energy: 1.7634440128786315
Energy: 1.713235375862649
Energy: 1.7634440128771514
Energy: 2.013150762391256
Energy: 1.9701360316924599
Energy: 2.1282742259747525
Energy: 1.9701360316924599
Energy: 1.9918470403434938
Energy: 1.6065068421668023
Energy: 1.7140804317866638
Energy: 1.6065068421653221
Energy: 2.0657415794782357
Energy: 1.6128089488819783
Energy: 1.6234466409934545
Energy: 1.6128089488841988
Energy: 1.963735870791073
Energy: 1.6057989996400055
Energy: 1.6090579425711855
Energy: 1.6057989996392652
Energy: 2.144935540266353
Energy: 1.6037734900462803
Energy: 1.6042433503514568
Energy: 1.60377349004332
Energy: 2.1447933889401716
Energy: 1.6047634553665726
Energy: 1.6044421834914646
Energy: 1.6047634553643522
Energy: 1.9840912052560145
Energy: 1.966970674616924
Energy: 1.9857287232246292
Energy: 1.9669706746147038
Energy: 1.9648331634593643
Energy: 1.969636902540302
Energy: 1.9607638830366514
Energy: 1.9696369025417821
Energy: 1.7157870594151836
Energy: 1.7639238586519361
Energy: 1.711876274497603
Energy: 1.763923858650456
Energy: 1.980203952259899
Energy: 1.7707984130703724
Energy: 1.6014220136706494
Energy: 1.7707984130770336
Energy: 1.813171548442777
Energy: 1.7099238240252335
Energy: 1.7078888965185055
Energy: 1.709923824022273
Energy: 2.1294179737968704
Energy: 1.7166470554648219
Energy: 1.7184827773700704
Energy: 1.7166470554700028
Energy: 1.7271490760713388
Energy: 1.7089311879722078
Energy: 1.9618314051726304
Energy: 1.708931187972948
Energy: 1.716229741065198
Energy: 1.7103256956548858
Energy: 1.9850578866084796
Energy: 1.7103256956585866
Energy: 1.7158183950950259
Energy: 1.7117934339727165
Energy: 1.9769734044133649
Energy: 1.711793433974197
Energy: 1.718454125030001
Energy: 1.7667700121590417
Energy: 1.8278582254500193
Energy: 1.7667700121612624
Energy: 1.7113833392636637
Energy: 1.7643902257576463
Energy: 1.8175908532848588
Energy: 1.764390225755426
Energy: 2.145746737726268
Energy: 1.968231507769712
Energy: 2.009740089886475
Energy: 1.968231507777113

minimum gb energy = 1.6014220136706494 eV
minimum distance =  2.26860595077635 Angstroms
sigma value = 73


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

Energy: 2.439228979803224
Energy: 1.9363486776038246
Energy: 1.9357902311295965
Energy: 1.7170631801718248
Energy: 1.6409297993218568
Energy: 1.6274936815512842
Energy: 1.8580108061151592
Energy: 1.6274936815688719
Energy: 1.6239199208026218
Energy: 1.623510913836153
Energy: 1.9515540923423043
Energy: 1.6235109138561157
Energy: 1.6249887956710483
Energy: 1.6287046876696156
Energy: 2.085134693796454
Energy: 1.6287046876696156
Energy: 1.6373339460904195
Energy: 1.6330105981743448
Energy: 2.094119947416121
Energy: 1.6330105981837124
Energy: 1.628393212690858
Energy: 1.6390165243331702
Energy: 2.0942322003203286
Energy: 1.6390165243331702
Energy: 1.8573896445440772
Energy: 1.9355787920428469
Energy: 1.9469942336027242
Energy: 1.935578792044021
Energy: 1.855283689038147
Energy: 1.9461360343588685
Energy: 1.9422083024822505
Energy: 1.946136034361217
Energy: 1.7274304713328617
Energy: 1.9462597991776034
Energy: 1.943974933073474
Energy: 1.9462598004323581
Energy: 1.7401327776574476
Energy: 1.6390990323115884
Energy: 1.942799646498837
Energy: 1.6390990323127625
Energy: 1.7099671789350377
Energy: 1.61529189474435
Energy: 1.94624162668927
Energy: 1.6152918947420012
Energy: 1.6976723229310047
Energy: 1.6092225728282001
Energy: 2.113087627192513
Energy: 1.6092225728246774
Energy: 1.9521287216458951
Energy: 1.6929345791936299
Energy: 1.7128605669188477
Energy: 1.6929345791948043
Energy: 1.9515483983641158
Energy: 1.7077828585209138
Energy: 1.7072844695160858
Energy: 1.7077828585197397
Energy: 1.967185756313823
Energy: 1.6994003665499975
Energy: 1.700120850624424
Energy: 1.6994003665511719
Energy: 2.094176430633855
Energy: 1.6970136917896665
Energy: 1.700309549813183
Energy: 1.6970136917462448
Energy: 2.0991345417833855
Energy: 1.715044829959219
Energy: 1.7085315445725002
Energy: 1.7150448299357333
Energy: 1.943301122730782
Energy: 1.8642981751517016
Energy: 1.8615160053327602
Energy: 1.8642981751540502
Energy: 1.8818326544904507
Energy: 1.8815907431818446
Energy: 1.8579551333249622
Energy: 1.8815907431830188
Energy: 1.8786427545458122
Energy: 1.6948866876939395
Energy: 1.863692303350369
Energy: 1.6948866877092055
Energy: 1.8807717026185968
Energy: 1.8516662905281747
Energy: 1.7199031254267516
Energy: 1.8516662905293488
Energy: 2.0881872711013845
Energy: 1.8581049131439278
Energy: 1.8633789679140196
Energy: 1.8581049131415794

minimum gb energy = 1.6092225728246774 eV
minimum distance =  2.26733230030467 Angstroms
sigma value = 7


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

Energy: 2.904573646547671
Energy: 1.959277539269324
Energy: 1.9554411478940756
Energy: 1.647212386825489
Energy: 1.62658112047942
Energy: 1.8521049845490316
Energy: 2.095455322474794
Energy: 1.85210498454571
Energy: 1.6265812844825114
Energy: 1.6220669193612036
Energy: 1.825710705347304
Energy: 1.6220669193612036
Energy: 1.6230269138578282
Energy: 1.6228027418538766
Energy: 2.0424898806540344
Energy: 1.6228027418571978
Energy: 1.6371643591527594
Energy: 1.6231662739013535
Energy: 2.009332885113363
Energy: 1.623166273903014
Energy: 1.6420679934707814
Energy: 1.6392922360530522
Energy: 2.0101848894594463
Energy: 1.6392922360530522
Energy: 2.0487982456102753
Energy: 1.6228663967384498
Energy: 1.6325119873182432
Energy: 1.6228663967392802
Energy: 2.042744635029937
Energy: 1.6544435081293785
Energy: 1.65619275928566
Energy: 1.6544435081260949
Energy: 2.051549301079702
Energy: 1.626698584412683
Energy: 1.6385455187642035
Energy: 1.6266985844101918
Energy: 2.008826987671359
Energy: 1.8555312822077865
Energy: 1.6366324806744947
Energy: 1.8555312822127685
Energy: 2.0958205513262285
Energy: 1.8422107164771706
Energy: 1.826825847910724
Energy: 1.8422107164763404
Energy: 1.8384778510484072
Energy: 1.8445259967533605
Energy: 2.0479024923279736
Energy: 1.84452599675253
Energy: 1.8407341506977815
Energy: 1.8495220914633794
Energy: 1.8474634418957991
Energy: 1.8495220913106332
Energy: 1.835400469269128
Energy: 1.6970119752719595
Energy: 1.6416479160704447
Energy: 1.697011975280263
Energy: 1.8458014086789967
Energy: 1.839151240867513
Energy: 1.6484792716345773
Energy: 1.8391512408724573
Energy: 2.053006189849646
Energy: 1.837215722299037
Energy: 1.8376957990062561
Energy: 1.8372157223015282
Energy: 2.052988300444827
Energy: 1.8422108727000521
Energy: 2.0889023828973614
Energy: 1.8422108727050344
Energy: 1.637710533815325
Energy: 1.8546308491201342
Energy: 1.8247744861304196
Energy: 1.8546308491209647
Energy: 1.6331133231646424
Energy: 1.6258446712145207
Energy: 2.0468700526844894
Energy: 1.6258446712095387
Energy: 1.6572560602249533
Energy: 1.6520081204780641
Energy: 2.0493385956147234
Energy: 1.6520081204772337
Energy: 1.631055683969988
Energy: 1.6232875348316318
Energy: 2.0062848672209124
Energy: 1.6232875348274798
Energy: 2.044020237730481
Energy: 1.6356610551096251
Energy: 1.6430201762415977
Energy: 1.6356610551021522
Energy: 2.0521389266369963
Energy: 1.6227855276214755
Energy: 1.63670428825951
Energy: 1.6227855276231364
Energy: 2.0440211197321707
Energy: 1.62337356589896
Energy: 1.6221215135520923
Energy: 1.6233735658956387
Energy: 2.009294574040893
Energy: 1.6227531902183194
Energy: 1.6247279791419347
Energy: 1.6227531902224712
Energy: 2.0273482248487134
Energy: 1.8586635367065676
Energy: 1.6277785631413317
Energy: 1.8586635366990947
Energy: 1.9530997421437222
Energy: 1.8494596111431607
Energy: 2.4513216068944823
Energy: 1.8494596111456518
Energy: 1.851791477795581
Energy: 1.8361479891745853
Energy: 1.8418184830208482
Energy: 1.8361479891646213
Energy: 1.8313024258234765
Energy: 1.704370681427552
Energy: 1.839218977571451
Energy: 1.7043706814267219
Energy: 1.8536969346471786
Energy: 1.8359116618690463
Energy: 1.6409625371132952
Energy: 1.8359116618690463
Energy: 2.050276559680596
Energy: 1.8399917261891157
Energy: 1.8440437256247013
Energy: 1.8399917262024015

minimum gb energy = 1.6220669193612036 eV
minimum distance =  2.2759256646999 Angstroms
sigma value = 29


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

Energy: 1.538553073469119
Energy: 1.9143993609996703
Energy: 1.5558747286428194
Energy: 1.5389820358465456
Energy: 1.5545578641908953
Energy: 1.6638696472531247
Energy: 1.5493055315742423
Energy: 1.6638696472468901
Energy: 1.5525492399058523
Energy: 1.6228388112536627
Energy: 1.5390774390960957
Energy: 1.622838811248585
Energy: 1.5409215855972518
Energy: 1.5453978314397303
Energy: 1.5570760936910766
Energy: 1.545397830616571
Energy: 1.5513099633971483
Energy: 1.5564105137686368
Energy: 1.5401639516669703
Energy: 1.556410513771722
Energy: 1.550367647822358
Energy: 1.6215795110546642
Energy: 1.5403279647751345
Energy: 1.6215795110589064
Energy: 1.5394558672926473
Energy: 1.6258160005613698
Energy: 1.5494333862122593
Energy: 1.6258160005568703
Energy: 1.5540462824658037
Energy: 1.5479578595460561
Energy: 1.5407210130133369
Energy: 1.547957859559907
Energy: 1.5407490619646687
Energy: 1.5497993448413847
Energy: 1.5493954491084443
Energy: 1.5497993448272445

minimum gb energy = 1.538553073469119 eV
minimum distance =  2.31454440705273 Angstroms
sigma value = 5


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

Energy: 2.2142599272158323
Energy: 1.4792885163487122
Energy: 1.8414379730194772
Energy: 1.4650232372794185
Energy: 1.748813342925277
Energy: 1.4783799921457803
Energy: 1.8253319017603902
Energy: 1.47837999214193
Energy: 1.8258462092142596
Energy: 1.5503978286900133
Energy: 1.8520994511377853
Energy: 1.5503978286907978
Energy: 1.4928183477811001
Energy: 1.478795324031921
Energy: 1.787296964977274
Energy: 1.478795324031921
Energy: 1.4783657150806921
Energy: 1.477898954002276
Energy: 1.8422094089204542
Energy: 1.477898954002276
Energy: 1.4786312039264398
Energy: 1.4807852625977185
Energy: 1.8806288062563965
Energy: 1.4807852625953655
Energy: 1.4775514817910944
Energy: 1.4774792161831576
Energy: 1.7888118695268425
Energy: 1.477479216182373
Energy: 1.47675107743203
Energy: 1.4770576342005
Energy: 2.231572876443584
Energy: 1.4770576342005
Energy: 1.5294012113172863
Energy: 1.523532610023632
Energy: 2.149113253389005
Energy: 1.523532610023632
Energy: 1.848599897690519
Energy: 1.4640905694854283
Energy: 1.4863934841604831
Energy: 1.4640905694854283
Energy: 1.5296013834836988
Energy: 1.463489427471074
Energy: 1.4675322062941742
Energy: 1.4634894274702896
Energy: 2.192378363697474
Energy: 1.4632482313550064
Energy: 1.4641774128064708
Energy: 1.4632482313534374
Energy: 2.198260809238929
Energy: 1.4631819739512528
Energy: 1.4631963001372579
Energy: 1.4631819739536058
Energy: 1.4776365414472088
Energy: 1.5157499774493088
Energy: 1.8505930406104796
Energy: 1.5157499774493088
Energy: 1.479359476182894
Energy: 1.4782669441692011
Energy: 1.844716801950598
Energy: 1.4782669441699854
Energy: 1.4827804369259379
Energy: 1.4789260528789523
Energy: 1.7487886101066163
Energy: 1.478926052878168
Energy: 1.4814545435391056
Energy: 1.478327214425085
Energy: 1.4848015397307568
Energy: 1.478327214425085
Energy: 1.794092288506649
Energy: 1.4773366064675113
Energy: 1.4891017653810916
Energy: 1.4773366064635896
Energy: 1.8638837065432075
Energy: 1.5522310428563948
Energy: 1.7623008468091523
Energy: 1.5522310428579635
Energy: 1.7876167568630001
Energy: 1.4780400499856157
Energy: 1.489047597988323
Energy: 1.4780400499848314
Energy: 1.8799267586071946
Energy: 1.479715287605556
Energy: 1.7537773669025694
Energy: 1.4797152876032027
Energy: 1.8422690747043433
Energy: 1.4781627785621039
Energy: 1.4787841481758908
Energy: 1.4781627785605351
Energy: 1.7507919424837666
Energy: 1.4778265978350622
Energy: 1.4800111275167005
Energy: 1.477826597836631
Energy: 2.2026100565920834
Energy: 1.4773807369175425
Energy: 1.4843884899136814
Energy: 1.4773807369198955
Energy: 2.1462720146219008
Energy: 1.521059067257702
Energy: 1.5288205613634085
Energy: 1.5210590672608393
Energy: 1.4883719030920006
Energy: 1.4639390310203058
Energy: 1.8487142804361394
Energy: 1.4639390310210905
Energy: 1.4676583190920343
Energy: 1.4636608602672099
Energy: 1.5295801054094031
Energy: 1.4636608602656411
Energy: 1.4644252296811564
Energy: 1.466760222462057
Energy: 1.5665147434437927
Energy: 1.4667602224628415
Energy: 1.493040816203065
Energy: 1.4627525762035591
Energy: 2.2261038898411507
Energy: 1.4627525762035591
Energy: 1.8460969765911377
Energy: 1.5154014374961398
Energy: 1.4945495103713007
Energy: 1.515401437495355
Energy: 1.8463889347007834
Energy: 1.4785733335034108
Energy: 1.4810986015096976
Energy: 1.4785733335057638
Energy: 1.7494359190400457
Energy: 1.4790987066810939
Energy: 1.479946945948205
Energy: 1.4790987066356005
Energy: 1.4860731652790673
Energy: 1.4784098213901486
Energy: 1.4801944971969245
Energy: 1.4784098213893642

minimum gb energy = 1.4627525762035591 eV
minimum distance =  2.29927817624955 Angstroms
sigma value = 1


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

Energy: 2.713755179844517
Energy: 1.4074462920663122
Energy: 1.4062235250745563
Energy: 1.393512229452655
Energy: 1.6634729455152806
Energy: 1.406958279322314
Energy: 1.804307046036383
Energy: 1.4069582793255675
Energy: 1.6369925181264788
Energy: 1.5074360492671235
Energy: 1.804846391011497
Energy: 1.507436049266039
Energy: 1.676340339385742
Energy: 1.505468886628157
Energy: 1.8158914021449954
Energy: 1.5054688866303259
Energy: 1.41716711057026
Energy: 1.4176597046939272
Energy: 1.6668429704140768
Energy: 1.4176597046907229
Energy: 1.4174990029894046
Energy: 1.45529395608626
Energy: 1.6669670249236261
Energy: 1.4552939560873444
Energy: 1.420143689530345
Energy: 1.4169570475357174
Energy: 1.8167729175403302
Energy: 1.4169570475335485
Energy: 1.4171412791957283
Energy: 1.4187640230846996
Energy: 1.9648648563484148
Energy: 1.4187640230868686
Energy: 1.4958079885348483
Energy: 1.4799180021682043
Energy: 1.9646722217080266
Energy: 1.4799180021866412
Energy: 2.1755015707716288
Energy: 1.375526728159305
Energy: 1.583138287306756
Energy: 1.375526728159305
Energy: 1.4989373243004296
Energy: 1.3839442497334633
Energy: 1.6478892513358094
Energy: 1.3839442497334633
Energy: 2.132503703845499
Energy: 1.37466690418601
Energy: 1.5757019846800664
Energy: 1.3746669041870945
Energy: 2.1321205420658265
Energy: 1.3748184546186006
Energy: 1.5620369123399527
Energy: 1.3748184546218543
Energy: 1.41871852307212
Energy: 1.3749913293237443
Energy: 1.9588565891582141
Energy: 1.3749913293259133
Energy: 1.6730964707657516
Energy: 1.6675232340735293
Energy: 1.9581818992121351
Energy: 1.6675232340713604
Energy: 1.6750514387744262
Energy: 1.67342984443615
Energy: 1.8322226858628794
Energy: 1.67342984443615
Energy: 1.4301752753987391
Energy: 1.4188552557788208
Energy: 1.71903194937028
Energy: 1.418855255775567
Energy: 1.4619605494050374
Energy: 1.418355052791631
Energy: 1.6667660711841588
Energy: 1.4183550527938
Energy: 1.4286582731954551
Energy: 1.4173543964549071
Energy: 1.96452598088899
Energy: 1.417354396458111
Energy: 1.4556624760664074
Energy: 1.4186877441440011
Energy: 1.9645934375493006
Energy: 1.4186877441429167
Energy: 2.0348246925040328
Energy: 1.4078290497115058
Energy: 1.4071011340481545
Energy: 1.4078290497136747
Energy: 2.03245290049191
Energy: 1.406194228863854
Energy: 1.4071779298940301
Energy: 1.406194228866023
Energy: 1.6682945697004807
Energy: 1.4060669368113632
Energy: 1.4077170911376884
Energy: 1.406066936807025
Energy: 1.9806553052202234
Energy: 1.405739756069249
Energy: 1.4080655252903378
Energy: 1.4057397560670801

minimum gb energy = 1.37466690418601 eV
minimum distance =  2.28755292413855 Angstroms
sigma value = 17


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

Energy: 2.620011105692155
Energy: 1.3610381117650745
Energy: 1.7638402818826242
Energy: 1.350664765474114
Energy: 1.4117442371393756
Energy: 1.3576607917311596
Energy: 1.6102089102911918
Energy: 1.3576607917298187
Energy: 1.9068285882672071
Energy: 1.3636507626131522
Energy: 1.6801908862228463
Energy: 1.3636507626151633
Energy: 1.9919972855893706
Energy: 1.4053094162185655
Energy: 1.6299979621750886
Energy: 1.405309416219906
Energy: 1.5880583261650394
Energy: 1.3443151343187054
Energy: 1.9198850552752407
Energy: 1.3443151343200466
Energy: 1.3454752499516764
Energy: 1.3443111771947704
Energy: 1.8650983831577523
Energy: 1.3443111771954408
Energy: 1.3455387606643219
Energy: 1.344085853686493
Energy: 1.6273899800498814
Energy: 1.3440858536885039
Energy: 1.3557243644260462
Energy: 1.3450621416226285
Energy: 1.8627741326886946
Energy: 1.345062141623299
Energy: 1.8578971971371552
Energy: 1.3453587217172953
Energy: 1.8395199548362975
Energy: 1.3453587217159546
Energy: 1.6759254390435925
Energy: 1.4090247179340118
Energy: 1.637774034380302
Energy: 1.4090247179346822
Energy: 1.8559793434619756
Energy: 1.3585279796800016
Energy: 1.3651653846776546
Energy: 1.3585279796833531
Energy: 1.8560817430061112
Energy: 1.3891076060920267
Energy: 1.6314076823427046
Energy: 1.3891076060920267
Energy: 1.8602135808243447
Energy: 1.3556238824618208
Energy: 1.3569132450167656
Energy: 1.3556238824611504
Energy: 1.6488637720707688
Energy: 1.3561177855731719
Energy: 1.3586869006665179
Energy: 1.356117785577864
Energy: 1.975990028414469
Energy: 1.3565598098316733
Energy: 1.3694779576281324
Energy: 1.3565598098289922
Energy: 1.8667610168142088
Energy: 1.3572013781907961
Energy: 1.359609057681639
Energy: 1.3572013781914662
Energy: 1.395312508492242
Energy: 1.3582905640284626
Energy: 2.3058293094512323
Energy: 1.3582905640271221
Energy: 1.3581381018257705
Energy: 1.3573031651176193
Energy: 1.8544352044862842
Energy: 1.3573031651182899
Energy: 1.4048373466822146
Energy: 1.3579115152375973
Energy: 1.8332826529477253
Energy: 1.3579115152891506
Energy: 1.3707696555103148
Energy: 1.356943820549249
Energy: 2.6187023635738926
Energy: 1.3569438205412052
Energy: 1.6808262878448377
Energy: 1.3569201945362355
Energy: 1.5870728995290322
Energy: 1.356920194539587
Energy: 1.6788274576645081
Energy: 1.6581465176764323
Energy: 1.9738379986114172
Energy: 1.6581465176771024
Energy: 1.5978937113553622
Energy: 1.4051705749740182
Energy: 1.980252571166226
Energy: 1.4051705749720074
Energy: 1.9190658825682598
Energy: 1.3448339943715504
Energy: 1.6576760413524616
Energy: 1.3448339943695395
Energy: 1.8614209391721752
Energy: 1.357691139474412
Energy: 1.34411989852984
Energy: 1.3576911394750824
Energy: 1.6373148293863053
Energy: 1.3447717917747273
Energy: 1.3503029473390136
Energy: 1.3447717917747273
Energy: 2.622895767920412
Energy: 1.3458845912086692
Energy: 1.35294337741479
Energy: 1.3458845912079989
Energy: 1.602678088054248
Energy: 1.3451097807815247
Energy: 1.8619874619565897
Energy: 1.3451097807781733
Energy: 1.6378520526882463
Energy: 1.4133679468674243
Energy: 1.6796577925824177
Energy: 1.4133679468660838
Energy: 1.3665571125876683
Energy: 1.3581200483962286
Energy: 1.8534094124786864
Energy: 1.3581200483942177
Energy: 1.6005671169235767
Energy: 1.3843058019732022
Energy: 1.8561429462682266
Energy: 1.3843058019738725
Energy: 1.3559266914043042
Energy: 1.357055656726657
Energy: 1.8592276449903191
Energy: 1.357055656723976
Energy: 1.3558743597870384
Energy: 1.3557468970873883
Energy: 1.6197327402813535
Energy: 1.3557468970880586
Energy: 1.3638213093750733
Energy: 1.357246342411894
Energy: 1.9903353921744837
Energy: 1.3572463424078718
Energy: 1.3616471398089307
Energy: 1.3887201315202589
Energy: 1.8676344444658322
Energy: 1.3887201315202589
Energy: 2.305717947383701
Energy: 1.3582400197913156
Energy: 1.3944417763104795
Energy: 1.3582400197913156
Energy: 1.8551902121782262
Energy: 1.3568861652680912
Energy: 1.3586177231236412
Energy: 1.3568861652687616
Energy: 1.8356287852209086
Energy: 1.3737335108073123
Energy: 1.3863385838657678
Energy: 1.373733510804631

minimum gb energy = 1.344085853686493 eV
minimum distance =  2.29611577022912 Angstroms
sigma value = 89


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

Energy: 2.8571443424071323
Energy: 1.2230402291253986
Energy: 1.2179258813085672
Energy: 1.2414803742927427
Energy: 1.2412286419337086
Energy: 1.3064088616091063
Energy: 1.2376477142391646
Energy: 1.306408861612614
Energy: 1.211401182258399
Energy: 1.306823104781492
Energy: 1.240328528444916
Energy: 1.306823104781492
Energy: 1.2153791547971786
Energy: 1.308104501291502
Energy: 1.2171437605542532
Energy: 1.3081045012862405
Energy: 1.2174870319395754
Energy: 1.2178192874804503
Energy: 1.225941542976388
Energy: 1.2178192874804503
Energy: 1.2213254471663981
Energy: 1.2181096441090402
Energy: 1.2246736454253784
Energy: 1.2181096441090402
Energy: 1.2195823122076335
Energy: 1.2172154422305959
Energy: 1.2183748827918994
Energy: 1.2172154422305959
Energy: 1.2177123962772554
Energy: 1.2186714389812265
Energy: 1.2109203232347632
Energy: 1.2186714389812265
Energy: 1.218897599964457
Energy: 1.2191328028092616
Energy: 1.2109841344683094
Energy: 1.2191328028092616
Energy: 1.2394191318925953
Energy: 1.3020663364401608
Energy: 1.2403490113576843
Energy: 1.3020663364401608
Energy: 1.2193998384913014
Energy: 1.3022385952562623
Energy: 1.2102336160187113
Energy: 1.3022385952562623
Energy: 1.2229832898252744
Energy: 1.2190984052624632
Energy: 1.2194712222683917
Energy: 1.2190984052624632
Energy: 1.2260600780973878
Energy: 1.2183717317347496
Energy: 1.2185129018517118
Energy: 1.2183717317329954
Energy: 1.2175485125705052
Energy: 1.217123389384796
Energy: 1.218877859042225
Energy: 1.2171233893830422
Energy: 1.2140573650963058
Energy: 1.2183407120030478
Energy: 1.2185659497485415
Energy: 1.218340712004802

minimum gb energy = 1.2102336160187113 eV
minimum distance =  2.31862509179865 Angstroms
sigma value = 13


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

Energy: 2.4629582475814495
Energy: 1.125938515121784
Energy: 1.5675921536908668
Energy: 1.1184409741115562
Energy: 1.4268953617597042
Energy: 1.1229303737779226
Energy: 1.4499506473851604
Energy: 1.1229303737955654
Energy: 1.7206622383379935
Energy: 1.1219879740415917
Energy: 1.455316463001247
Energy: 1.1219879740452674
Energy: 1.779055150839708
Energy: 1.122807630360232
Energy: 1.3992948637067457
Energy: 1.122807630361702
Energy: 1.4025000032162596
Energy: 1.123280268597352
Energy: 1.6926831503416613
Energy: 1.1232802686024979
Energy: 1.449569643886196
Energy: 1.1220285849703784
Energy: 1.9653232496670365
Energy: 1.1220285849725837
Energy: 1.4454069394168487
Energy: 1.1217268528882183
Energy: 1.69671327950239
Energy: 1.1217268528661644
Energy: 1.1262621724729134
Energy: 1.1231187031002883
Energy: 1.9122859017876321
Energy: 1.123118703092937
Energy: 1.1426037946474707
Energy: 1.1223901258114628
Energy: 1.6996466245831798
Energy: 1.1223901258004358
Energy: 1.1279458740337691
Energy: 1.1222646771736104
Energy: 1.7035459928885355
Energy: 1.1222646771684646
Energy: 1.1475920852882364
Energy: 1.1442215468364285
Energy: 2.465502741485067
Energy: 1.1442215468540713
Energy: 1.699906474298064
Energy: 1.122043829390706
Energy: 1.4290093356130473
Energy: 1.122043829390706
Energy: 1.401870142944593
Energy: 1.1698516412172024
Energy: 1.397392306005898
Energy: 1.1698516412098512
Energy: 1.693807884145082
Energy: 1.17105307367334
Energy: 1.7810790362922058
Energy: 1.1710530736630484
Energy: 1.701189736964337
Energy: 1.1231935991901938
Energy: 1.4004892436724163
Energy: 1.1231935991901938
Energy: 1.7040908982949161
Energy: 1.1234578280712417
Energy: 1.1253833743154624
Energy: 1.1234578280683012
Energy: 1.6960908139182498
Energy: 1.1229775148396295
Energy: 1.12663723249679
Energy: 1.1229775148374241
Energy: 2.1723981966430244
Energy: 1.123169242468267
Energy: 1.127936769778126
Energy: 1.1231692424763533
Energy: 1.6779222967231164
Energy: 1.1230169624151662
Energy: 1.401021321512544
Energy: 1.123016962413696
Energy: 1.6994696428416285
Energy: 1.1228274827680838
Energy: 1.4552968990072646
Energy: 1.1228274827497726
Energy: 1.7779270371653562
Energy: 1.142775746448388
Energy: 1.4299891326593843
Energy: 1.1427757464527988
Energy: 1.7013859846536556
Energy: 1.1782156011861395
Energy: 1.9644152345557093
Energy: 1.178215601196364
Energy: 1.406923006186753
Energy: 1.1224781917249604
Energy: 1.6943398080296803
Energy: 1.1224781917337818
Energy: 1.1249035852459834
Energy: 1.1214663682961694
Energy: 1.695610203566273
Energy: 1.1214663682829373
Energy: 1.4000752528233888
Energy: 1.122123639154788
Energy: 1.912310618975087
Energy: 1.1221236391525826
Energy: 1.1235409671576606
Energy: 1.141522791973627
Energy: 1.9183298449744632
Energy: 1.141522791984654
Energy: 1.1218495056309192
Energy: 1.121981322361312
Energy: 1.6978704250118786
Energy: 1.121981322367928
Energy: 1.1477497523336686
Energy: 1.1226097895853124
Energy: 1.7167924087541182
Energy: 1.1226097895889882
Energy: 1.699268408878343
Energy: 1.1220094471890587
Energy: 1.6666232915217605
Energy: 1.1220094471875885
Energy: 1.451861241370432
Energy: 1.171571247758021
Energy: 1.697854139564487
Energy: 1.1715712477616966
Energy: 1.6938813023267307
Energy: 1.1743286314281531
Energy: 1.780676405658768
Energy: 1.174328631426683
Energy: 1.395971359077929
Energy: 1.1230251938262539
Energy: 1.6973545180883032
Energy: 1.123025193837949
Energy: 1.6977921780657637
Energy: 1.1234130759075944
Energy: 1.1478874694854384
Energy: 1.1234130759090646
Energy: 1.6956576854157468
Energy: 1.122413879555825
Energy: 1.1230447310223026
Energy: 1.1224138795425926
Energy: 1.6637828516844149
Energy: 1.1218567526131078
Energy: 1.1288922210847623
Energy: 1.1218567526057566

minimum gb energy = 1.1184409741115562 eV
minimum distance =  2.31375389576692 Angstroms
sigma value = 37


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

Energy: 2.410759555875312
Energy: 1.0239488212584484
Energy: 1.0229239802987422
Energy: 1.0258130464644073
Energy: 1.9396998979992743
Energy: 1.0231746716868921
Energy: 1.5207800234955842
Energy: 1.0231746716919512
Energy: 1.9543718497183438
Energy: 1.0234605814392814
Energy: 1.5020831177039102
Energy: 1.0234605814228395
Energy: 1.7232135668332789
Energy: 1.1127272948251723
Energy: 1.492735122135921
Energy: 1.1127272948251723
Energy: 1.470122075501136
Energy: 1.019896744661206
Energy: 1.7566536743334031
Energy: 1.0198967446599412
Energy: 1.4775000027548773
Energy: 1.020353922042013
Energy: 1.4741548267364246
Energy: 1.0203539220458075
Energy: 1.2924163625559835
Energy: 1.0197721697285926
Energy: 1.9399246079462453
Energy: 1.0197721697247983
Energy: 1.2665922364564743
Energy: 1.0046672013809546
Energy: 1.7205428300629828
Energy: 1.0046672013796898
Energy: 1.2606182922008256
Energy: 1.008425885890476
Energy: 2.134499610008816
Energy: 1.00842588589427
Energy: 1.2604047294366019
Energy: 1.0046710601293616
Energy: 1.9399222031328243
Energy: 1.0046710601268323
Energy: 1.3008214792728325
Energy: 1.3009857301179082
Energy: 2.1298793725666303
Energy: 1.3009857301179082
Energy: 1.7262192966134013
Energy: 1.0041330256840677
Energy: 1.9401110512318054
Energy: 1.0041330256853325
Energy: 1.726597560718234
Energy: 1.0035757992877126
Energy: 1.9560987773381597
Energy: 1.003575799290242
Energy: 1.7287813832755028
Energy: 1.0977214093963892
Energy: 1.7247134832827256
Energy: 1.0977214093963892
Energy: 1.75665367434858
Energy: 1.112993643352477
Energy: 1.4759806496116128
Energy: 1.1129936433512124
Energy: 1.9366217791746243
Energy: 1.1127114848369764
Energy: 1.5090673097362797
Energy: 1.1127114848382411
Energy: 1.940650319084834
Energy: 1.111936981100915
Energy: 1.2913608882520107
Energy: 1.111936981100915
Energy: 1.7205428299782735
Energy: 1.0250374219540161
Energy: 1.0258257866054696
Energy: 1.0250374219325153
Energy: 2.134499610008816
Energy: 1.0236152790743966
Energy: 1.0235618683162604
Energy: 1.0236152790769262
Energy: 1.9343994681316072
Energy: 1.022492279483309
Energy: 1.0372857724486533
Energy: 1.022492279483309

minimum gb energy = 1.0035757992877126 eV
minimum distance =  2.30904083602599 Angstroms
sigma value = 25


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

Energy: 2.806462650242046
Energy: 0.8762698761160125
Energy: 1.3657758448737254
Energy: 0.8740317141391785
Energy: 2.2899745050214433
Energy: 0.874548467440553
Energy: 1.265325469323505
Energy: 0.8745484674425281
Energy: 2.2827160146548873
Energy: 0.8747923370738077
Energy: 1.2652580280712609
Energy: 0.8747923370738077
Energy: 1.838787879156284
Energy: 0.8745580260045407
Energy: 1.537771279331602
Energy: 0.8745580259986152
Energy: 1.96852210579788
Energy: 0.9488220205493499
Energy: 1.961179281736523
Energy: 0.9488220205473747
Energy: 1.8019990400675647
Energy: 0.9451313205457526
Energy: 1.9655652282998668
Energy: 0.9451313205457526
Energy: 1.8000176640026955
Energy: 0.8770231777594273
Energy: 2.1334529784642253
Energy: 0.8770231777554769
Energy: 1.2344992099528262
Energy: 0.8771680625837787
Energy: 2.1113445845199057
Energy: 0.877168062582791
Energy: 1.2644966335212557
Energy: 0.8770744284491998
Energy: 1.9597783597406158
Energy: 0.8770744284472247
Energy: 1.2657537556503342
Energy: 0.8763030021855404
Energy: 2.2738518953506968
Energy: 0.8763030021845528
Energy: 1.0702221827797613
Energy: 0.8704589719517503
Energy: 2.3618375688024726
Energy: 0.8704589719458247
Energy: 1.085494653026892
Energy: 0.8763065731282829
Energy: 2.2736367646006626
Energy: 0.87630657312532
Energy: 1.0735933786954692
Energy: 0.8673961834320449
Energy: 2.27219608755351
Energy: 0.8673961834310574
Energy: 1.083021953909807
Energy: 0.8711870448187723
Energy: 2.2648627293139745
Energy: 0.8711870448187723
Energy: 1.4690552373832673
Energy: 0.8677068430547401
Energy: 2.276889903526138
Energy: 0.8677068430577028
Energy: 1.4594938723437128
Energy: 0.8682149366855932
Energy: 2.2807823662263904
Energy: 0.8682149366905312
Energy: 1.6258173547140116
Energy: 0.8678444359387073
Energy: 2.280345573141208
Energy: 0.8678444359278437
Energy: 1.4999501179401957
Energy: 0.949983014437215
Energy: 1.8155738857093224
Energy: 0.9499830144441282
Energy: 1.9382740962672704
Energy: 0.9492593870367243
Energy: 1.7992489644274696
Energy: 0.9492593870386994
Energy: 2.285778242902218
Energy: 0.9527921963782267
Energy: 1.8022452395216062
Energy: 0.9527921964354628
Energy: 2.366834810743606
Energy: 0.9458779202372217
Energy: 1.2613830325957962
Energy: 0.9458779202421597
Energy: 2.290740948302805
Energy: 0.8746181429985879
Energy: 1.0814995207925824
Energy: 0.8746181430035258
Energy: 2.2756161896743707
Energy: 0.8750287629486841
Energy: 1.2584626380524468
Energy: 0.8750287629476965
Energy: 2.1070049051190596
Energy: 0.8858627285474472
Energy: 0.8829808912145765
Energy: 0.8858627285464596
Energy: 2.287239726879139
Energy: 0.873506996138099
Energy: 0.8794537720597567
Energy: 0.8735069961410619
Energy: 2.420112665865414
Energy: 0.8841212908591729
Energy: 0.8807544494230687
Energy: 0.8841212908621356

minimum gb energy = 0.8673961834310574 eV
minimum distance =  2.31318511796772 Angstroms
sigma value = 41


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

Energy: 2.8695940186820836
Energy: 0.7747436843139397
Energy: 1.2738207160986832
Energy: 0.7765899237741837
Energy: 2.495683859011268
Energy: 0.7704260281526399
Energy: 1.1007777262122775
Energy: 0.7704260281518304
Energy: 2.493118492084684
Energy: 0.77068622714338
Energy: 1.121687655502555
Energy: 0.7706862271417605
Energy: 1.9490765965963615
Energy: 0.772004184665917
Energy: 1.096538592791536
Energy: 0.7720041846642977
Energy: 2.2291728216766815
Energy: 0.7815973281546345
Energy: 1.6936904769981405
Energy: 0.7815973281562538
Energy: 1.96148138469858
Energy: 1.1221801467254713
Energy: 1.6936321381316886
Energy: 1.1221801467238521
Energy: 1.9631115436461208
Energy: 0.8324974633741313
Energy: 1.9627634427913463
Energy: 0.832497463374941
Energy: 1.6941940460863378
Energy: 0.8296002724724564
Energy: 1.705847630076985
Energy: 0.829600272468408
Energy: 1.4584135523301687
Energy: 0.7715262910165455
Energy: 2.229032844289347
Energy: 0.7715262910205938
Energy: 1.4223730186740222
Energy: 0.7815806854624028
Energy: 2.225210341154565
Energy: 0.7815806854607834
Energy: 1.1014981757742393
Energy: 0.7722856411511638
Energy: 2.5060894318820264
Energy: 0.7722856411511638
Energy: 1.1181385431186126
Energy: 0.7711261106938955
Energy: 2.4953180786513385
Energy: 0.7711261106914664
Energy: 1.102727156904993
Energy: 0.7709273750728244
Energy: 2.4884800173209722
Energy: 0.7709273750744436
Energy: 0.7776759164380519
Energy: 0.772470968902161
Energy: 2.2123429889084085
Energy: 0.7724709689029707
Energy: 0.7746589098033888
Energy: 0.7711282235359199
Energy: 2.493382916665477
Energy: 0.7711282235343007
Energy: 0.7765826120060105
Energy: 0.7706259035410175
Energy: 2.4839727746659315
Energy: 0.7706259035442562
Energy: 1.0999969792987776
Energy: 0.771185218842929
Energy: 2.479625816267573
Energy: 0.771185218842929
Energy: 1.1110249711788367
Energy: 0.7690081654322918
Energy: 2.4922379639545014
Energy: 0.76900816543634
Energy: 1.0961392632928189
Energy: 0.7719280422216886
Energy: 1.9558860176977517
Energy: 0.7719280422281661
Energy: 1.6888543911720024
Energy: 0.7705687295053485
Energy: 1.9533109807831128
Energy: 0.7705687295093969
Energy: 1.796977681018157
Energy: 0.7752706214369175
Energy: 2.2275190927392963
Energy: 0.7752706214401562
Energy: 1.688711428603071
Energy: 0.829539137780162
Energy: 1.9546431782253455
Energy: 0.8295391377769233
Energy: 2.229914347060375
Energy: 0.8275924075260285
Energy: 1.9581029416026061
Energy: 0.8275924075325058
Energy: 1.7053902800178047
Energy: 0.8297559393889101
Energy: 1.6932649452992756
Energy: 0.8297559393881004
Energy: 2.2230360077339584
Energy: 0.7740792742574476
Energy: 1.4454414987631372
Energy: 0.774079274293883
Energy: 2.2216496261121867
Energy: 0.7708281636081129
Energy: 1.6932803312356959
Energy: 0.7708281635426031
Energy: 2.217173240722211
Energy: 0.7722488572413011
Energy: 1.1038282708219682
Energy: 0.7722488572429204
Energy: 2.4915843804958775
Energy: 0.7694913879866241
Energy: 1.1132358656545416
Energy: 0.7694913880441109
Energy: 2.2169263347656636
Energy: 0.7716233073718264
Energy: 1.0997109221483528
Energy: 0.7716233073726361
Energy: 2.217317504949902
Energy: 0.7718835140760926
Energy: 0.776551078620939
Energy: 0.7718835140769021
Energy: 2.492904855356548
Energy: 0.77141537554084
Energy: 0.7734527526429575
Energy: 0.7714153755416497
Energy: 2.4796337273504694
Energy: 0.7718432021592672
Energy: 0.7784536368715202
Energy: 0.7718432021576479

minimum gb energy = 0.7690081654322918 eV
minimum distance =  2.31975698447997 Angstroms
sigma value = 15


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

Energy: 2.4348271794772836
Energy: 0.6989683648296261
Energy: 1.206357490520452
Energy: 0.7017613626499238
Energy: 2.6455655442051937
Energy: 0.6944480615090696
Energy: 0.9824128668565536
Energy: 0.6944480615076976
Energy: 2.64192426836714
Energy: 0.6946752011070526
Energy: 0.9908730091031744
Energy: 0.6946752011063666
Energy: 2.186787933021367
Energy: 0.6966193035898423
Energy: 1.2595719798192044
Energy: 0.6966193035891564
Energy: 2.4181424330269974
Energy: 0.7085995802453342
Energy: 1.5033220417246262
Energy: 0.7085995802432765
Energy: 2.1842497134851646
Energy: 0.705749705531328
Energy: 1.485871152097776
Energy: 0.7057497055292703
Energy: 1.7208323951245978
Energy: 0.7026741568470211
Energy: 1.949769114347989
Energy: 0.7026741568662265
Energy: 1.957704665002709
Energy: 0.7439893252188761
Energy: 1.4916522841372253
Energy: 0.7439893252113311
Energy: 1.7225121279646676
Energy: 1.2785444283087724
Energy: 1.948671111324198
Energy: 1.2785444283087724
Energy: 1.7200775923470717
Energy: 1.2761353621680553
Energy: 2.1893816112679714
Energy: 1.276135362170799
Energy: 1.493648425965735
Energy: 0.7087970232842538
Energy: 2.139389501174133
Energy: 0.7087970233089463
Energy: 1.2645644781785033
Energy: 0.7054726296636604
Energy: 2.4098701489623138
Energy: 0.7054726296561155
Energy: 1.4876976149445222
Energy: 0.6959123914497303
Energy: 2.408520323676428
Energy: 0.6959123914099475
Energy: 0.9833305731128065
Energy: 0.6970270433334509
Energy: 1.952070290121717
Energy: 0.6970270433272777
Energy: 0.9794929258660677
Energy: 0.695233550477999
Energy: 2.6398947191164424
Energy: 0.6952335504704539
Energy: 0.9798033367777376
Energy: 0.6961235494509797
Energy: 2.4102707414948927
Energy: 0.696123549441377
Energy: 0.7034884237489855
Energy: 0.6966338865888826
Energy: 2.406897789161951
Energy: 0.6966338866039725
Energy: 0.6942829183407008
Energy: 0.6960842809344583
Energy: 2.6385920867916344
Energy: 0.6960842809385737
Energy: 0.7026172919643394
Energy: 0.6945716232311542
Energy: 2.1772274983935413
Energy: 0.6945716232318402
Energy: 0.9803021453410007
Energy: 0.6947819770415811
Energy: 2.6353991472410794
Energy: 0.6947819770456966
Energy: 0.9771503414641569
Energy: 0.694567619690764
Energy: 2.6397961945096253
Energy: 0.6945676196921357
Energy: 0.9806877680356444
Energy: 0.6961513162807552
Energy: 2.1796382291159957
Energy: 0.6961513162800694
Energy: 1.4848930844565955
Energy: 0.6961439728644082
Energy: 2.176820588758591
Energy: 0.6961439728987036
Energy: 1.497049875525254
Energy: 0.7039828649245368
Energy: 2.41126481979359
Energy: 0.7039828649307099
Energy: 1.4914338755042078
Energy: 0.706233835370492
Energy: 1.8350213228463435
Energy: 0.7062338353773511
Energy: 1.9544296596895037
Energy: 1.2759524713301806
Energy: 2.1886024939930557
Energy: 1.2759524713329242
Energy: 1.4953958705776318
Energy: 1.2790034698155597
Energy: 1.9509757806104944
Energy: 1.2790034698169317
Energy: 1.9545889098132212
Energy: 0.743828698394831
Energy: 1.7280732488534531
Energy: 0.7438286984016277
Energy: 1.9532952432842532
Energy: 0.7021463418272548
Energy: 1.9513724780375823
Energy: 0.7021463418279407
Energy: 1.950320957882136
Energy: 0.7032958287881476
Energy: 1.4876416128215635
Energy: 0.7032958289314396
Energy: 2.4149921551333975
Energy: 0.7064656936023531
Energy: 1.2643873229958884
Energy: 0.7064656936023531
Energy: 1.9509476882535377
Energy: 0.697573138849566
Energy: 1.4908280804053635
Energy: 0.6975731388536814
Energy: 2.4096181201524347
Energy: 0.6947989092435316
Energy: 0.9815643984534561
Energy: 0.6947989092414739
Energy: 2.6440458939188556
Energy: 0.694747548914196
Energy: 0.9812127213975063
Energy: 0.6947475489121383
Energy: 2.4096006057554242
Energy: 0.6961009294577326
Energy: 0.704341193321046
Energy: 0.6961009294419568
Energy: 2.641764669049425
Energy: 0.6952003099393896
Energy: 0.7051395358664523
Energy: 0.6952003099407614
Energy: 2.6343840127571716
Energy: 0.6965469766901775
Energy: 0.6989709833375507
Energy: 0.6965469766908635

minimum gb energy = 0.6942829183407008 eV
minimum distance =  2.32040204659411 Angstroms
sigma value = 85


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

Energy: 2.6381352326605225
Energy: 0.6133091318970995
Energy: 0.6172830419968929
Energy: 0.6253566294242509
Energy: 2.7381254500766796
Energy: 0.6148573351211516
Energy: 0.8705565379308842
Energy: 0.614857335118772
Energy: 2.3247283678491604
Energy: 0.6143041501005866
Energy: 0.8590040977348673
Energy: 0.6143041500999916
Energy: 1.9090410471448063
Energy: 0.6158170876454861
Energy: 1.3093909137907997
Energy: 0.6158170876460811
Energy: 2.536042761717471
Energy: 0.6138466747009368
Energy: 1.3136701320138526
Energy: 0.6138466746527779
Energy: 1.9174424011210782
Energy: 0.6139861111299761
Energy: 1.305390149428529
Energy: 0.6139861111311659
Energy: 1.916362063832628
Energy: 0.6154153750623649
Energy: 1.7162724249970207
Energy: 0.6154153750546313
Energy: 2.126311377637012
Energy: 0.6178912423196891
Energy: 1.3063667279585058
Energy: 0.6178912423381305
Energy: 1.923230029235551
Energy: 0.6150505530740745
Energy: 1.7161565604528823
Energy: 0.615050553124018
Energy: 1.9230463352065401
Energy: 1.1518631697728405
Energy: 2.1274914802246823
Energy: 1.151863169772246
Energy: 1.7138011536780262
Energy: 0.6139147949400474
Energy: 1.854762831121003
Energy: 0.6139147949388576
Energy: 1.5067306296397676
Energy: 0.6195195785271759
Energy: 2.1216063561006497
Energy: 0.6195195798508006
Energy: 1.7164050667074215
Energy: 0.6176803190758958
Energy: 2.124486141679075
Energy: 0.6176803197912212
Energy: 1.3093541919102314
Energy: 0.6164140157365366
Energy: 1.707893316813752
Energy: 0.6164140157353469
Energy: 1.1039493535304088
Energy: 0.6128755635448675
Energy: 2.5253511802892263
Energy: 0.6128755635442726
Energy: 1.311120350944354
Energy: 0.6148604335394704
Energy: 2.1172477481276752
Energy: 0.6148604335400653
Energy: 0.8581226669707933
Energy: 0.6154000669485243
Energy: 2.1173183299748213
Energy: 0.6154000669509039
Energy: 0.8607658314245515
Energy: 0.6142300207968661
Energy: 2.7381673778555817
Energy: 0.6142300207968661
Energy: 0.8597057556211901
Energy: 0.6165601249745193
Energy: 2.5203269258347136
Energy: 0.6165601249774666
Energy: 0.6123911770058336
Energy: 0.6158297728031703
Energy: 2.5202081787532915
Energy: 0.6158297728031703
Energy: 0.6151634132497322
Energy: 0.614495892269367
Energy: 2.739263583905182
Energy: 0.6144958922723414
Energy: 0.6131258854423796
Energy: 0.6180274890051839
Energy: 2.313957586373757
Energy: 0.6180274890069687
Energy: 0.8622043760852012
Energy: 0.6147291125461041
Energy: 2.723076964359153
Energy: 0.6147291125455091
Energy: 0.8652402927353343
Energy: 0.6137598807956841
Energy: 2.7440550741739846
Energy: 0.6137598807962791
Energy: 0.8611805321730092
Energy: 0.6148795809070696
Energy: 1.9096155223675344
Energy: 0.6148795809070696
Energy: 1.3070060978430151
Energy: 0.6130974331310787
Energy: 2.52374443328377
Energy: 0.6130974331310787
Energy: 1.3139389991757218
Energy: 0.6141312522097129
Energy: 2.331749425968977
Energy: 0.6141312521894867
Energy: 1.3062008364532303
Energy: 0.6160821663481288
Energy: 1.9155196709124742
Energy: 0.6160821663439647
Energy: 1.7148613973656197
Energy: 0.9075016559308532
Energy: 2.333505264861658
Energy: 0.9075016559308532
Energy: 1.7227608743185199
Energy: 1.1473729964466535
Energy: 1.923689383941558
Energy: 1.1473729964460584
Energy: 1.9260095152146937
Energy: 0.6166317153804052
Energy: 1.504111557525774
Energy: 0.6166317154285911
Energy: 1.7138975516915507
Energy: 0.6140488982569857
Energy: 1.9236210338424187
Energy: 0.6140488982623399
Energy: 2.1225114866709567
Energy: 1.1464781306868588
Energy: 1.5132219199533576
Energy: 1.1464781306856693
Energy: 2.336416428873433
Energy: 0.906481843083113
Energy: 1.5148019239170911
Energy: 0.906481843083113
Energy: 1.8504954022190103
Energy: 0.6144702728448401
Energy: 1.3058526702864064
Energy: 0.6144702728424607
Energy: 2.531699499770389
Energy: 0.6129135881170511
Energy: 1.3142803768728228
Energy: 0.6129135881111022
Energy: 2.5277135071049357
Energy: 0.6132482518959064
Energy: 1.3102526796115042
Energy: 0.6132482518935268
Energy: 2.116765928063897
Energy: 0.6154665146146178
Energy: 0.8600276330136902
Energy: 0.6154665146152128
Energy: 2.7421355168995105
Energy: 0.614458550488466
Energy: 0.8613257294963947
Energy: 0.6144585504896558
Energy: 2.5199683098913805
Energy: 0.6164717449574578
Energy: 0.862354437513191
Energy: 0.6164717449616219
Energy: 2.1094524880549232
Energy: 0.6174401723648596
Energy: 0.614282710531366
Energy: 0.6174401723642648
Energy: 2.739303805540424
Energy: 0.614726331351115
Energy: 0.6151377714519152
Energy: 0.6147263313517098
Energy: 2.318358667569563
Energy: 0.6167474740304396
Energy: 0.6133910263557184
Energy: 0.6167474740310346

minimum gb energy = 0.6123911770058336 eV
minimum distance =  2.32245870261913 Angstroms
sigma value = 113


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

Energy: 0.019799532952836568
Energy: 0.6062230178125024
Energy: 2.201433416866026
Energy: 0.02055405908506566
Energy: 1.6365326212367006
Energy: 0.10267492600025184
Energy: 1.638816241412486
Energy: 0.10267492600025184
Energy: 0.02197842293342698
Energy: 0.10183270119797105
Energy: 1.6404319871292257
Energy: 0.10183270120157878
Energy: 0.021828477076348444
Energy: 0.10205324065253789
Energy: 1.6358419134743036
Energy: 0.10205323875430951
Energy: 1.6377601005706024
Energy: 0.10182384807673753
Energy: 1.6378220513537647
Energy: 0.10182384807628021
Energy: 0.02563247790179057
Energy: 0.10186370961797424
Energy: 1.637696469617656
Energy: 0.10186370961797424

minimum gb energy = 0.019799532952836568 eV
minimum distance =  2.4859598408844 Angstroms
sigma value = 1