Model name: model_name=Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000136196613
cohesive_energy=3.540278378030674
mass=63.546
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: 0.013693062190900664
Energy: 0.014420756564773221
Energy: 0.014066512170553144
Energy: 0.014420756564773221
Energy: 0.014420756564773221
Energy: 0.7731559558338978
Energy: 0.014420756564773221
Energy: 0.7731559558338978
Energy: 0.014066512170553144
Energy: 0.014420756564773221
Energy: 0.013693062190900664
Energy: 0.014420756564773221
Energy: 0.014420756564773221
Energy: 0.7731559558345251
Energy: 0.014420756564773221
Energy: 0.7731559558345251

minimum gb energy = 0.013693062190900664 eV
minimum distance =  2.46841708186607 Angstroms
sigma value = 1


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

Energy: 0.9343822753447939
Energy: 0.9248367429777119
Energy: 0.8505906904973883
Energy: 0.9248367429777119
Energy: 0.8805554154985811
Energy: 0.9263019991703506
Energy: 0.8716574473904598
Energy: 0.9263019991703506
Energy: 0.8435041132238263
Energy: 0.9136288066904632
Energy: 0.8698607111039711
Energy: 0.9136288066904632
Energy: 0.8628152878353353
Energy: 0.9354470955421205
Energy: 0.8546451392252997
Energy: 0.9354470955421205
Energy: 0.8653271034420807
Energy: 0.9262918159344373
Energy: 0.8630903753240604
Energy: 0.9262918159344373
Energy: 0.8350072006534761
Energy: 0.9118927807479759
Energy: 0.8281745579457644
Energy: 0.9118927807487367
Energy: 0.8835788332080465
Energy: 0.9133025961575882
Energy: 0.8361311891881639
Energy: 0.9133025961575882
Energy: 0.7872445331470952
Energy: 0.9261004263762226
Energy: 0.8264635528107438
Energy: 0.9261004263762226
Energy: 0.8559134026467423
Energy: 0.883998487604525
Energy: 0.8777155655445306
Energy: 0.8839984876052858
Energy: 0.8235937884855079
Energy: 0.9131790762124771
Energy: 0.781406141548614
Energy: 0.9131790762124771
Energy: 0.8670545413569066
Energy: 0.9161126405834825
Energy: 0.8560658675067989
Energy: 0.9161126405834825
Energy: 0.8628585682569637
Energy: 0.9258667159657072
Energy: 0.8332411592681721
Energy: 0.9258667159649466
Energy: 0.869409701707022
Energy: 0.9130347120435279
Energy: 0.8838546718933679
Energy: 0.9130347120435279
Energy: 0.8749060300346568
Energy: 0.9210192246514612
Energy: 0.847581001592564
Energy: 0.9210192246514612
Energy: 0.87042082888206
Energy: 0.9262665582561986
Energy: 0.8695126826676994
Energy: 0.9262665582569594
Energy: 0.8766583864083471
Energy: 0.924733375389303
Energy: 0.8695905790210832
Energy: 0.9247333753900638
Energy: 0.8695690976024927
Energy: 0.9135697687847605
Energy: 0.8266550705302003
Energy: 0.9135697687847605
Energy: 0.8717879309492677
Energy: 0.9144234172492852
Energy: 0.8812433125901002
Energy: 0.9144234172492852
Energy: 0.8044293159427589
Energy: 0.9254414957309507
Energy: 0.8328797267772241
Energy: 0.9254414957309507
Energy: 0.8712339449255696
Energy: 0.8723029841330984
Energy: 0.8590112003851984
Energy: 0.8723029841330984
Energy: 0.8251605349794356
Energy: 0.9134216103110487
Energy: 0.7919468268814067
Energy: 0.9134216103118094
Energy: 0.8550278963694068
Energy: 0.9248438590790637
Energy: 0.8708193881919484
Energy: 0.9248438590790637
Energy: 0.8634962664605381
Energy: 0.9263365282841972
Energy: 0.825690615489715
Energy: 0.9263365282841972
Energy: 0.8528404513011741
Energy: 0.9146594551100395
Energy: 0.8349429172134006
Energy: 0.9146594551100395
Energy: 0.8361808345458392
Energy: 0.9084291281141373
Energy: 0.8834820871342063
Energy: 0.9084291281141373
Energy: 0.8676974823352177
Energy: 0.925943135022049
Energy: 0.8254539474429913
Energy: 0.925943135022049
Energy: 0.8672497943569737
Energy: 0.9228773700553169
Energy: 0.855685157124202
Energy: 0.9228773700568382
Energy: 0.8236989139610418
Energy: 0.9131117863215844
Energy: 0.8696731405874565
Energy: 0.9131117863215844
Energy: 0.8798654508007965
Energy: 0.924013706249239
Energy: 0.8672841724779319
Energy: 0.924013706249239
Energy: 0.8831085188070523
Energy: 0.9252164547514651
Energy: 0.8659845968961589
Energy: 0.9252164547514651
Energy: 0.8835826632290618
Energy: 0.9197004427675549
Energy: 0.869300804797927
Energy: 0.9197004427675549
Energy: 0.854269387465862
Energy: 0.9140715886734011
Energy: 0.8747068255698456
Energy: 0.9140715886734011
Energy: 0.8650650983847306
Energy: 0.9345244655816357
Energy: 0.8552128363640723
Energy: 0.9345244655816357

minimum gb energy = 0.781406141548614 eV
minimum distance =  2.29376442551064 Angstroms
sigma value = 1


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

Energy: 0.9989172274161199
Energy: 0.9891213224887886
Energy: 0.8989354037808867
Energy: 0.9891213224887886
Energy: 0.907550104740934
Energy: 0.9657549543078238
Energy: 0.9110297997818131
Energy: 0.9657549543078238
Energy: 0.8645286187980266
Energy: 0.9886695946865013
Energy: 0.90562523679732
Energy: 0.988669594685634
Energy: 0.8825627760713369
Energy: 0.9367676090812477
Energy: 0.868258731257738
Energy: 0.9367676090812477
Energy: 0.882691404571306
Energy: 0.9714947914865044
Energy: 0.9056295972000306
Energy: 0.9714947914865044
Energy: 0.9270258707248222
Energy: 0.9729685415753392
Energy: 0.9052685954353847
Energy: 0.9729685415753392
Energy: 0.907123968366922
Energy: 0.9406707150178364
Energy: 0.8865319225196124
Energy: 0.9406707150178364
Energy: 0.8166116309579641
Energy: 0.9886872125576102
Energy: 0.8622672680775255
Energy: 0.9886872125576102
Energy: 0.881311481650167
Energy: 0.9251072518280793
Energy: 0.9110288671539597
Energy: 0.9251072518289465
Energy: 0.8729693528002175
Energy: 0.9896573391528862
Energy: 0.8839551189147526
Energy: 0.9896573391528862
Energy: 0.9069825119371542
Energy: 0.950292589696773
Energy: 0.9068470021963585
Energy: 0.9502925896959057
Energy: 0.8510678390101813
Energy: 0.979903688782902
Energy: 0.9058411692619427
Energy: 0.9799036887837694
Energy: 0.9258528093983265
Energy: 0.9708020136348846
Energy: 0.8848752338100558
Energy: 0.9708020136348846
Energy: 0.9254416976806703
Energy: 0.9707944869791209
Energy: 0.8926030646985141
Energy: 0.9707944869791209
Energy: 0.8508953826668163
Energy: 0.9797964228092906
Energy: 0.9129564011725262
Energy: 0.9797964228092906
Energy: 0.9071000696510468
Energy: 0.9502533595999921
Energy: 0.9109008735862687
Energy: 0.9502533595999921
Energy: 0.872916717218485
Energy: 0.9900030270276331
Energy: 0.8465813004285035
Energy: 0.9900030270276331
Energy: 0.8838870030649826
Energy: 0.9252192248193666
Energy: 0.9110280019491621
Energy: 0.9252192248193666
Energy: 0.8166463419925677
Energy: 0.9893716669868675
Energy: 0.8467832553179587
Energy: 0.9893716669877347
Energy: 0.9070940327439998
Energy: 0.9406919423868373
Energy: 0.868306269426308
Energy: 0.9406919423868373
Energy: 0.9266948874183069
Energy: 0.9727777149677098
Energy: 0.8617061874771746
Energy: 0.9727777149677098
Energy: 0.8826860893953358
Energy: 0.9715013544570018
Energy: 0.8880970005227986
Energy: 0.971501354457869
Energy: 0.8827847218158862
Energy: 0.9368858069332673
Energy: 0.8706770537210956
Energy: 0.9368858069332673
Energy: 0.8643308530896318
Energy: 0.9886626262118828
Energy: 0.910354999595303
Energy: 0.9886626262127501
Energy: 0.9076152041437727
Energy: 0.9657544264402974
Energy: 0.9111550386403359
Energy: 0.9657544264402974
Energy: 0.9989172274161199
Energy: 0.9891213224879213
Energy: 0.9113012051441671
Energy: 0.9891213224887886
Energy: 0.907550104740934
Energy: 0.9657549543078238
Energy: 0.9110297997809458
Energy: 0.9657549543078238
Energy: 0.864528618798894
Energy: 0.9886695946865013
Energy: 0.9056252367929836
Energy: 0.988669594685634
Energy: 0.8825627760713369
Energy: 0.9367676090812477
Energy: 0.868258731257738
Energy: 0.9367676090812477

minimum gb energy = 0.8166116309579641 eV
minimum distance =  2.28350975101528 Angstroms
sigma value = 25


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

Energy: 0.9548936536669127
Energy: 1.0372067520747237
Energy: 0.9337604948298452
Energy: 1.0372067520747237
Energy: 0.9691648089415026
Energy: 1.0029805032542245
Energy: 0.9337831351629128
Energy: 1.0029805032552328
Energy: 0.9224590646426656
Energy: 1.0649747885482193
Energy: 0.9349498682119566
Energy: 1.0649747885482193
Energy: 0.9326300875316159
Energy: 1.009510490446973
Energy: 0.9083211111494608
Energy: 1.009510490446973
Energy: 0.909800301247101
Energy: 1.0374165363669905
Energy: 0.8758388674994066
Energy: 1.0374165363669905
Energy: 0.9866681087443516
Energy: 1.065377479383731
Energy: 0.9077908341551371
Energy: 1.065377479383731
Energy: 0.9349610547018472
Energy: 0.9369265629624589
Energy: 0.9311536550842006
Energy: 0.9369265629624589
Energy: 1.020272210719903
Energy: 1.0377198789324065
Energy: 0.8709621038005482
Energy: 1.0377198789313982
Energy: 0.9315542600843502
Energy: 0.9987968254977299
Energy: 0.9351819068970254
Energy: 0.9987968254967217
Energy: 0.9335872431330284
Energy: 1.0653981367908896
Energy: 0.8984809911681464
Energy: 1.0653981367908896
Energy: 0.9341493555279902
Energy: 1.0370223275206598
Energy: 0.9344704336547814
Energy: 1.0370223275206598
Energy: 0.9095878346856746
Energy: 1.0370942862737111
Energy: 0.9347241822032827
Energy: 1.037094286272703
Energy: 0.9347324281260381
Energy: 1.0102772576936339
Energy: 0.8979967449574413
Energy: 1.0102772576936339
Energy: 0.9320142152665317
Energy: 0.9338207040896882
Energy: 0.9687200560795229
Energy: 0.9338207040896882
Energy: 0.8580466017064442
Energy: 1.0376288585262958
Energy: 0.8690622950192575
Energy: 1.0376288585262958
Energy: 0.9344603367093185
Energy: 0.9392371991523318
Energy: 0.9083415479888522
Energy: 0.9392371991523318
Energy: 0.8558597701881239
Energy: 1.0648858142600315
Energy: 0.8555066296743727
Energy: 1.0648858142600315
Energy: 0.9083347283183363
Energy: 1.0118456599246681
Energy: 0.9319824763721672
Energy: 1.0118456599246681
Energy: 0.8967537918812634
Energy: 1.0088657319221555
Energy: 0.9100948865575148
Energy: 1.0088657319211474
Energy: 0.9097507185918988
Energy: 1.0651358385599354
Energy: 0.9375343399797295
Energy: 1.0651358385599354
Energy: 0.9455352913135269
Energy: 0.9937264186333471
Energy: 0.9353171977215492
Energy: 0.9937264186333471
Energy: 0.9548152802693901
Energy: 1.0372810249051092
Energy: 0.9790132234843202
Energy: 1.0372810249051092
Energy: 0.9364627150003496
Energy: 1.0043748384357571
Energy: 0.9342278932159584
Energy: 1.0043748384357571
Energy: 0.8998776129060038
Energy: 1.0654413944906551
Energy: 0.9337631094556632
Energy: 1.0654413944906551
Energy: 0.9348379169468659
Energy: 0.9443628202424951
Energy: 0.9073387731296738
Energy: 0.9443628202284258

minimum gb energy = 0.8555066296743727 eV
minimum distance =  2.28710924127833 Angstroms
sigma value = 9


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

Energy: 1.0116126048407148
Energy: 1.010932281174964
Energy: 0.987933437884368
Energy: 1.010932281174964
Energy: 0.9731835606622238
Energy: 1.0678268922503926
Energy: 0.9959742844720372
Energy: 1.0678268922503926
Energy: 0.903400695270106
Energy: 1.0060287115070834
Energy: 0.9539159331990316
Energy: 1.0060287115082862
Energy: 1.0048514305942982
Energy: 1.0877360037548733
Energy: 0.9227178627854814
Energy: 1.0877360037548733
Energy: 1.0603944778754106
Energy: 1.0670053822439447
Energy: 0.9546814084230095
Energy: 1.0670053822427417
Energy: 0.8936067800518527
Energy: 1.006271524653282
Energy: 0.9235178743006617
Energy: 1.0062715246544849
Energy: 1.0030414108341696
Energy: 0.9231842476768608
Energy: 0.9239411234644116
Energy: 0.9231842476780635
Energy: 0.987655524496902
Energy: 1.006117622062421
Energy: 0.9156914558598025
Energy: 1.006117622062421
Energy: 1.0021031743518338
Energy: 1.0676274234045506
Energy: 1.0273317522724386
Energy: 1.0676274234045506
Energy: 1.0082684324433198
Energy: 1.0108919622703048
Energy: 0.9227191616774375
Energy: 1.0108919622703048
Energy: 0.9478431330313019
Energy: 1.0660900602394485
Energy: 0.953631814824355
Energy: 1.0660900602394485
Energy: 1.0048318404785068
Energy: 1.0326731393786683
Energy: 0.9226264362597998
Energy: 1.032673139379871
Energy: 0.8936688295572052
Energy: 1.011026959691244
Energy: 0.8938235820013862
Energy: 1.0110269596924468
Energy: 2.0017900264524293
Energy: 1.0054598109682324
Energy: 0.9960796365865177
Energy: 1.0054598109694355
Energy: 0.8936623390310323
Energy: 1.0109816852927958
Energy: 0.9873571093314251
Energy: 1.0109816852927958
Energy: 1.004832586312362
Energy: 1.032431202530653
Energy: 0.9225785771922805
Energy: 1.0324312025318556
Energy: 0.947688598357865
Energy: 1.0659612097344906
Energy: 0.9538100071682206
Energy: 1.065961209733288
Energy: 1.0079533873742959
Energy: 1.0111949512203178
Energy: 0.9229463776513712
Energy: 1.0111949512203178
Energy: 1.0021044273364468
Energy: 1.0675399225158098
Energy: 0.9550667382298575
Energy: 1.0675399225158098
Energy: 0.9876538502192765
Energy: 1.006175616084411
Energy: 0.9157101898624076
Energy: 1.006175616084411
Energy: 1.003034879150565
Energy: 0.9231114828893233
Energy: 0.9239444220259639
Energy: 0.9231114828893233

minimum gb energy = 0.8936067800518527 eV
minimum distance =  2.36682971028892 Angstroms
sigma value = 25


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

Energy: 0.958468580513506
Energy: 1.108549277401313
Energy: 1.098983518761556
Energy: 1.1085492774028003
Energy: 0.9430090268479557
Energy: 1.0808395460350686
Energy: 0.9319344740298392
Energy: 1.0808395460350686
Energy: 0.9326017907885076
Energy: 1.0946545426597603
Energy: 0.9316782888838674
Energy: 1.0946545426612475
Energy: 0.9585257621595153
Energy: 1.0761022430989122
Energy: 1.0602139382260622
Energy: 1.0761022430989122
Energy: 1.0573254121170863
Energy: 0.9436362510739292
Energy: 0.9672640317829179
Energy: 0.9436362510739292
Energy: 0.9355926686542817
Energy: 1.1605780698110935
Energy: 0.9343527223928556
Energy: 1.160578069809606
Energy: 0.9670710636318982
Energy: 1.0763162856962631
Energy: 0.932057635780402
Energy: 1.0763162856962631
Energy: 1.0483234117014046
Energy: 0.9332257819036344
Energy: 0.9572630717083417
Energy: 0.9332257819214834
Energy: 0.9318723959493309
Energy: 1.078125637779899
Energy: 0.9452860901770421
Energy: 1.078125637779899
Energy: 1.0920826267152757
Energy: 1.093960561658912
Energy: 0.9341518007524058
Energy: 1.093960561658912
Energy: 0.9620265230464513
Energy: 1.0769277634790293
Energy: 1.171218903504868
Energy: 1.076927763477542
Energy: 0.9324084622310704
Energy: 0.9690632452818266
Energy: 1.0903183556928349
Energy: 0.9690632452818266
Energy: 1.0479083448269524
Energy: 1.0944132345694788
Energy: 0.9319982371302583
Energy: 1.0944132345679913
Energy: 0.9318749729257257
Energy: 1.0787014083693767
Energy: 0.9572855964318422
Energy: 1.0787014083693767
Energy: 0.9680889530620768
Energy: 1.0690471062559748
Energy: 1.048489627155584
Energy: 1.0690471062559748
Energy: 0.9427227371528961
Energy: 1.0377420670645359
Energy: 0.9353558787405286
Energy: 1.037742067061561
Energy: 0.9322181238645896
Energy: 1.015549396569624
Energy: 1.0898958928659037
Energy: 1.015549396569624

minimum gb energy = 0.9316782888838674 eV
minimum distance =  2.34969637014301 Angstroms
sigma value = 17


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

Energy: 1.0622200575120355
Energy: 1.0614301436390046
Energy: 1.198588056472165
Energy: 1.0614301436390046
Energy: 1.0957655627605842
Energy: 1.023371068449608
Energy: 0.9596182695036249
Energy: 1.0233710684504502
Energy: 1.0764524034385459
Energy: 1.0576422252468907
Energy: 0.9593317388128032
Energy: 1.0576422252460485
Energy: 0.9617609424801685
Energy: 1.0610532891721538
Energy: 1.0339212928315078
Energy: 1.0610532891738387
Energy: 1.103918527587844
Energy: 1.124946107937158
Energy: 0.9828384212714466
Energy: 1.1249461079380005
Energy: 0.9715710032137062
Energy: 0.9953152264100048
Energy: 1.0734340211830282
Energy: 0.9953152264108471
Energy: 0.96438750001878
Energy: 1.0680233848382479
Energy: 0.9599678138815628
Energy: 1.0680233848374054
Energy: 1.0714013129618456
Energy: 1.060882615332019
Energy: 0.9688422532688308
Energy: 1.0608826153337036
Energy: 0.9744904610099276
Energy: 1.106314808812324
Energy: 1.1057649994310275
Energy: 1.106314808812324
Energy: 1.1740120922527737
Energy: 1.033069328734229
Energy: 0.9598688091278772
Energy: 1.0330693287350712
Energy: 0.9645094493339955
Energy: 1.0564301174910353
Energy: 1.0799979675150246
Energy: 1.0564301174910353
Energy: 0.9692886324427344
Energy: 1.0647722388362544
Energy: 0.9691237360794287
Energy: 1.0647722388362544
Energy: 1.0930132179430707
Energy: 1.0588536435469982
Energy: 1.0585453868082062
Energy: 1.0588536435469982
Energy: 0.9594830770840327
Energy: 1.1765204130541935
Energy: 1.0867801047207002
Energy: 1.1765204130516662
Energy: 1.0456767023257796
Energy: 1.0692528225193627
Energy: 0.9739941877858866
Energy: 1.0692528225193627
Energy: 1.0777822589570112
Energy: 1.0606744916582442
Energy: 1.0714497287225049
Energy: 1.0606744916582442
Energy: 0.9603382910661381
Energy: 1.0562913433800467
Energy: 1.1820051076380484
Energy: 1.0562913433817314
Energy: 1.068503583691521
Energy: 1.0568055660434867
Energy: 0.9715763064323403
Energy: 1.0568055660443292
Energy: 0.9600086163523307
Energy: 1.0728868682620802
Energy: 1.0239182344410418
Energy: 1.0728868682620802
Energy: 0.9596965753998357
Energy: 1.0611131079441107
Energy: 0.9619576864062006
Energy: 1.0611131079449532
Energy: 1.0166418302804938
Energy: 1.0578947246299342
Energy: 1.0762164997675612
Energy: 1.0578947246307766
Energy: 0.9599266222008194
Energy: 1.1273799203577188
Energy: 1.176575798987982
Energy: 1.1273799203577188
Energy: 1.0942749200686963
Energy: 1.061528185193877
Energy: 0.9598638630118171
Energy: 1.061528185193877
Energy: 0.9686023780909014
Energy: 1.0695105000040652
Energy: 1.0886899561736034
Energy: 1.0695105000040652
Energy: 0.9684069418981106
Energy: 1.0576170698311869
Energy: 1.0878466526108275
Energy: 1.0576170698311869
Energy: 1.0981344934517612
Energy: 1.0609001433269525
Energy: 0.9610688154054698
Energy: 1.06090014332611
Energy: 0.9821953511797203
Energy: 1.1057249677722836
Energy: 1.20019901996639
Energy: 1.1057249677714411
Energy: 1.074157726533046
Energy: 0.9950774360227973
Energy: 1.077276664039896
Energy: 0.9950774360236396
Energy: 1.1438400865794356
Energy: 1.1023108276864004
Energy: 0.9642504972844211
Energy: 1.1023108276864004
Energy: 0.9686382157534272
Energy: 1.1052430658655807
Energy: 1.0698231459348166
Energy: 1.1052430658655807

minimum gb energy = 0.9593317388128032 eV
minimum distance =  2.26803433135924 Angstroms
sigma value = 53


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

Energy: 0.9210079085785928
Energy: 0.9203310347295737
Energy: 1.0836114028755959
Energy: 0.9203310347276343
Energy: 1.1021168901894434
Energy: 0.9954539988978898
Energy: 0.9357388535312038
Energy: 0.9954539988978898
Energy: 0.9218957159137235
Energy: 0.9197853483772412
Energy: 1.0832884190503185
Energy: 0.9197853483772412
Energy: 0.9216365372446488
Energy: 0.9198935033979673
Energy: 0.9402171842187871
Energy: 0.9198935033979673
Energy: 1.1021237006339835
Energy: 0.9954557428396429
Energy: 0.937448619642881
Energy: 0.9954557428377034
Energy: 0.9210079085785928
Energy: 0.9203310347295737
Energy: 1.0836072167674764
Energy: 0.9203310347295737
Energy: 1.1021168901894434
Energy: 0.9954539988978898
Energy: 0.9357388535312038
Energy: 0.9954539988978898
Energy: 0.9218957159137235
Energy: 0.9197853483772412
Energy: 1.0832884190503185
Energy: 0.9197853483772412
Energy: 0.9216365372446488
Energy: 0.9198935033979673
Energy: 0.9402171842187871
Energy: 0.9198935033979673
Energy: 1.1021237006339835
Energy: 0.9954557428377034
Energy: 0.937448619642881
Energy: 0.9954557428396429
Energy: 0.9210079085785928
Energy: 0.9203310347295737
Energy: 1.1646014987372117
Energy: 0.9203310347295737
Energy: 1.1021168901894434
Energy: 0.9954539988978898
Energy: 0.9357388535312038
Energy: 0.9954539988978898
Energy: 0.9218957159137235
Energy: 0.9197853483772412
Energy: 1.0832884190503185
Energy: 0.9197853483772412

minimum gb energy = 0.9197853483772412 eV
minimum distance =  2.32759265654546 Angstroms
sigma value = 9


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

Energy: 1.0171016209053412
Energy: 1.1515846593097014
Energy: 1.290086812269304
Energy: 1.151584659304677
Energy: 1.136371273666849
Energy: 1.054518996271711
Energy: 1.0135920224224153
Energy: 1.054518996271711
Energy: 0.9959048001165995
Energy: 1.0060890959855322
Energy: 1.0131048513024925
Energy: 1.0060890959862498
Energy: 1.1034016327977023
Energy: 1.1779380218077367
Energy: 1.01351750293758
Energy: 1.177938021805583
Energy: 1.1242318227021597
Energy: 1.0583880426809908
Energy: 1.0113029642116524
Energy: 1.0583880426809908
Energy: 1.0064613582290134
Energy: 1.0056847041259105
Energy: 1.1092467356493758
Energy: 1.0056847041259105
Energy: 1.2849402187634973
Energy: 1.0544543330977918
Energy: 1.0115076052784184
Energy: 1.0544543330985097
Energy: 1.002102100627022
Energy: 1.2190473468200564
Energy: 1.1138506261162493
Energy: 1.2190473468200564
Energy: 0.9984847172305689
Energy: 1.183459515165154
Energy: 1.0123753184779576
Energy: 1.1834595151708962
Energy: 0.9979452752112054
Energy: 1.0518972766279608
Energy: 1.010595605237485
Energy: 1.0518972766279608
Energy: 1.0031666584322028
Energy: 1.0702703413240027
Energy: 1.269047285798546
Energy: 1.070270341323285
Energy: 1.1296237390064852
Energy: 1.1434702240640282
Energy: 1.0028322451177691
Energy: 1.1434702240654637
Energy: 0.9979797381045525
Energy: 1.080537961606681
Energy: 1.196815932804752
Energy: 1.0805379616059634
Energy: 1.1071826731004817
Energy: 1.114124591063204
Energy: 1.0203571794635515
Energy: 1.1141245910423883
Energy: 1.0056480924059206
Energy: 1.1273545956153246
Energy: 1.1120718894171748
Energy: 1.1273545956153246
Energy: 1.0014546716880104
Energy: 1.1836516665861267
Energy: 1.1061419692828809
Energy: 1.1836516665861267
Energy: 1.0640684448400293
Energy: 1.1270656620156436
Energy: 1.0054300328725874
Energy: 1.127065662014926
Energy: 1.006145883595789
Energy: 1.0548498483858038
Energy: 1.122800932040429
Energy: 1.0548498483872393
Energy: 1.1222702918347116
Energy: 1.0799928886273737
Energy: 1.0077697359035191
Energy: 1.0799928886273737
Energy: 1.004245770150691
Energy: 1.0625023348936773
Energy: 1.0730896430863486
Energy: 1.062502334894395
Energy: 1.1083161493146394
Energy: 1.1720448681410542
Energy: 1.1049518298064673
Energy: 1.1720448681410542
Energy: 1.0774906433653808
Energy: 1.1148040431712014
Energy: 0.9973790425220597
Energy: 1.1148040431704835
Energy: 1.0122506197818992
Energy: 1.1330602076392118
Energy: 0.9978831156610147
Energy: 1.1330602076392118
Energy: 1.2876497276376075
Energy: 1.0730380111566604
Energy: 1.0012502937426615
Energy: 1.073038011157378
Energy: 1.0117916025546076
Energy: 1.1567661854848206
Energy: 1.2144898131880812
Energy: 1.1567661854855384
Energy: 1.0611949830613714
Energy: 1.0060595195573176
Energy: 0.9965179608276344
Energy: 1.0060595195580353
Energy: 1.1167061620950314
Energy: 1.130455765049119
Energy: 1.1026449606630266
Energy: 1.130455765048401
Energy: 1.0243913853632258
Energy: 1.1725200212586042
Energy: 1.1031913879113013
Energy: 1.1725200212241504
Energy: 1.0588359930707347
Energy: 1.0055550801711575
Energy: 0.9958760593261683
Energy: 1.0055550801704396
Energy: 1.0134507205290622
Energy: 1.1557805635997738
Energy: 1.216359323165266
Energy: 1.1557805635997738
Energy: 1.2190045965282874
Energy: 1.0723660192047768
Energy: 1.0007313021531599
Energy: 1.0723660192047768
Energy: 1.0140274384166976
Energy: 1.0559214741362013
Energy: 0.9968222946634293
Energy: 1.0559214741362013
Energy: 1.014101642073769
Energy: 1.118808752381485
Energy: 0.9964293285799795
Energy: 1.118808752381485
Energy: 1.1121866059225571
Energy: 1.1743513871631117
Energy: 1.1031770768550853
Energy: 1.1743513871681361
Energy: 1.0105232083214384
Energy: 1.1562354537044799
Energy: 1.2841628051367697
Energy: 1.156235453703762

minimum gb energy = 0.9958760593261683 eV
minimum distance =  2.28420572609628 Angstroms
sigma value = 73


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

Energy: 1.0129223022102634
Energy: 1.0116781202125749
Energy: 1.2863717031273867
Energy: 1.0116781202125749
Energy: 1.0252144124801044
Energy: 1.09482184904857
Energy: 1.0154563107099819
Energy: 1.09482184904857
Energy: 1.010223961079242
Energy: 1.0123083384394793
Energy: 1.0069810612039918
Energy: 1.0123083384394793
Energy: 0.9979132809979343
Energy: 1.0951390681605961
Energy: 1.0155753775992908
Energy: 1.0951390681605961
Energy: 0.9971904186839282
Energy: 1.0811723452328388
Energy: 1.008120044484052
Energy: 1.0811723452328388
Energy: 1.0114568787439282
Energy: 1.0139039118444266
Energy: 1.2354040894033747
Energy: 1.0139039118455655
Energy: 1.2718362704419093
Energy: 1.2161705433928782
Energy: 1.0137685636539753
Energy: 1.2161705433928782
Energy: 0.9976474475119297
Energy: 1.0109521052082728
Energy: 1.2424139386497
Energy: 1.0109521052082728
Energy: 1.2338411082936087
Energy: 1.0118924063793844
Energy: 1.0140922297996369
Energy: 1.0118924063793844
Energy: 1.0110985169474176
Energy: 1.074652551895731
Energy: 1.010918896890827
Energy: 1.074652551895731
Energy: 1.0017413447482668
Energy: 1.0115644101800072
Energy: 1.2318418040711754
Energy: 1.0115644101800072
Energy: 1.130323317491021
Energy: 1.0953480404958849
Energy: 0.9986070130871246
Energy: 1.0953480404958849
Energy: 1.0127420156300078
Energy: 1.0770997740877144
Energy: 1.1269332187544083
Energy: 1.0770997740877144
Energy: 1.2786514034594154
Energy: 1.0777791809969077
Energy: 1.011199378126945
Energy: 1.0777791809969077
Energy: 1.006633021234904
Energy: 1.0442769035566808
Energy: 1.1318984284133198
Energy: 1.0442769035566808
Energy: 1.2321338107671695
Energy: 1.0112071209209645
Energy: 0.9979455137892458
Energy: 1.0112071209209645
Energy: 1.0134510846524651
Energy: 1.013585884988344
Energy: 1.010250794712603
Energy: 1.013585884988344
Energy: 1.0153808753480114
Energy: 1.0123906692832634
Energy: 1.010546985854789
Energy: 1.0123906692832634
Energy: 1.0087908107546912
Energy: 1.0110753107706372
Energy: 0.9961091644249573
Energy: 1.0110753107706372
Energy: 1.015171328852649
Energy: 1.0434976041129012
Energy: 1.2714133465670736
Energy: 1.0434976041129012
Energy: 1.2873422987253644
Energy: 1.0113122243701078
Energy: 1.0104018760434603
Energy: 1.0113122243701078
Energy: 1.0152244535454709
Energy: 1.0825420021647274
Energy: 1.1286696915832606
Energy: 1.0825420021647274

minimum gb energy = 0.9961091644249573 eV
minimum distance =  2.29407692498444 Angstroms
sigma value = 7


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

Energy: 1.0920496901168233
Energy: 1.0892779474058292
Energy: 1.2768851096537372
Energy: 1.0892779474066345
Energy: 1.244246478205153
Energy: 1.0774272461983323
Energy: 1.0175677142929678
Energy: 1.0774272461983323
Energy: 1.011430838710656
Energy: 1.0391670070321977
Energy: 1.0314183140961304
Energy: 1.039167007033003
Energy: 1.0349139085346417
Energy: 1.1388009631360874
Energy: 1.028724809347546
Energy: 1.1388009631360874
Energy: 1.02095713271929
Energy: 1.0796835475999482
Energy: 1.0359964983438927
Energy: 1.0796835475999482
Energy: 1.0180164305900066
Energy: 1.0393951421256251
Energy: 1.1718097993327456
Energy: 1.0393951421256251
Energy: 1.1365133369041893
Energy: 1.1072708274097762
Energy: 1.0269208518297852
Energy: 1.1072708274105814
Energy: 1.0177795210292353
Energy: 1.0397207231066627
Energy: 1.2324755555338676
Energy: 1.0397207231066627
Energy: 1.1400880507426643
Energy: 1.1339964767412658
Energy: 1.0294115292280392
Energy: 1.1339964767412658
Energy: 1.0099832523738286
Energy: 1.1022326234143711
Energy: 1.16945789453908
Energy: 1.1022326234143711
Energy: 1.0298406766646582
Energy: 1.0393477621475407
Energy: 1.0323047974363297
Energy: 1.0393477621475407
Energy: 1.0450654671933477
Energy: 1.1266831048834407
Energy: 1.0360177458679558
Energy: 1.1266831048834407
Energy: 1.0418450747858454
Energy: 1.149395107306035
Energy: 1.0367360356821318
Energy: 1.14939510730684
Energy: 1.0496034297515027
Energy: 1.0337180281903273
Energy: 1.0328272854773077
Energy: 1.0337180281903273
Energy: 1.0086644956883761
Energy: 1.173700176673496
Energy: 1.1331105566240505
Energy: 1.173700176673496
Energy: 1.2135180280229994
Energy: 1.0325735572766968
Energy: 1.0309429710304945
Energy: 1.0325735572783072
Energy: 1.0173556857647663
Energy: 1.0893089100254112
Energy: 1.0967270746896451
Energy: 1.0893089100254112
Energy: 1.0369931861111028
Energy: 1.1754244400140215
Energy: 1.03590530259386
Energy: 1.1754244400140215
Energy: 1.01782195950593
Energy: 1.0395225128309789
Energy: 1.0357676121848995
Energy: 1.0395225128309789
Energy: 1.0184410346959467
Energy: 1.0919984138234375
Energy: 1.081802614217986
Energy: 1.0919984138234375
Energy: 1.0362815556500575
Energy: 1.1783082069805217
Energy: 1.0286810263726038
Energy: 1.1783082069805217
Energy: 1.0095458768337127
Energy: 1.0403442202576352
Energy: 1.1244075730096186
Energy: 1.0403442202584403
Energy: 1.2033192149456984
Energy: 1.08704978380595
Energy: 1.0266284774507919
Energy: 1.0870497838051447
Energy: 1.0900479459723287
Energy: 1.0886049890732954
Energy: 1.2125044074078914
Energy: 1.0886049890732954
Energy: 1.0922536325880083
Energy: 1.0805354454119875
Energy: 1.0265562677681397
Energy: 1.0805354454119875
Energy: 1.0294629543331568
Energy: 1.0388289088272626
Energy: 1.030983641983016
Energy: 1.0388289088272626
Energy: 1.011721365906737
Energy: 1.1400808704992407
Energy: 1.0440829805476648
Energy: 1.1400808705000463
Energy: 1.0784304957943496
Energy: 1.0788182324986093
Energy: 1.0283280619929616
Energy: 1.0788182324978042
Energy: 1.0190852752155952
Energy: 1.0394687256433068
Energy: 1.0787006146086018
Energy: 1.0394687256433068
Energy: 1.0928422743925439
Energy: 1.0376438493459943
Energy: 1.01791347546611
Energy: 1.0376438493459943
Energy: 1.0190763471630035
Energy: 1.040248652481086
Energy: 1.1083556419405127
Energy: 1.0402486524802808

minimum gb energy = 1.0086644956883761 eV
minimum distance =  2.27892294005705 Angstroms
sigma value = 29


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

Energy: 0.9980693785339319
Energy: 0.9868684124766554
Energy: 0.9698475906661146
Energy: 0.9868684124763749
Energy: 0.9663906943113926
Energy: 1.0003769783457992
Energy: 0.9839286649211838
Energy: 1.0003769783457992
Energy: 0.9703668353636707
Energy: 1.0538904941473877
Energy: 1.083210796255993
Energy: 1.0538904941471072
Energy: 0.9992345757859183
Energy: 0.9668833008097323
Energy: 0.9858925367798987
Energy: 0.9668833008102932
Energy: 0.9984808380108191
Energy: 1.0276939708404578
Energy: 0.9686595148065851
Energy: 1.0276939708404578
Energy: 0.9860018880454213
Energy: 1.0485253428220462
Energy: 0.9855642563558914
Energy: 1.0485253428220462
Energy: 0.9698615402196993
Energy: 1.027704143579782
Energy: 0.9985601369860685
Energy: 1.027704143579782
Energy: 0.983390496763096
Energy: 0.9668799533034091
Energy: 0.9990730561274217
Energy: 0.9668799533031287
Energy: 1.082968606937098
Energy: 1.0540312851718117
Energy: 0.9731241761535108
Energy: 1.0540312851715623

minimum gb energy = 0.9663906943113926 eV
minimum distance =  2.32441831948919 Angstroms
sigma value = 5


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

Energy: 0.976850857274096
Energy: 0.9740293424346793
Energy: 1.1142790139064047
Energy: 0.9740293424346793
Energy: 1.0972902681428998
Energy: 1.0195055462589464
Energy: 0.925066765262115
Energy: 1.0195055462589464
Energy: 0.9347829864856014
Energy: 0.9717145737659039
Energy: 1.105955410841814
Energy: 0.9717145737651431
Energy: 0.9377374132065026
Energy: 1.0114991716356574
Energy: 0.9535110721619128
Energy: 1.0114991716356574
Energy: 0.9440389898020278
Energy: 1.019828234964096
Energy: 1.122239664430239
Energy: 1.019828234964096
Energy: 0.9616540534460685
Energy: 0.9819383087833309
Energy: 0.9405124228000742
Energy: 0.9819383087840914
Energy: 0.9482418841917857
Energy: 1.0242736463650046
Energy: 0.9400209678024046
Energy: 1.0242736463650046
Energy: 0.9450407159094792
Energy: 0.9836764045590031
Energy: 0.9368379818131392
Energy: 0.9836764045590031
Energy: 0.9614140412140659
Energy: 1.0144326531357741
Energy: 0.9306741801723878
Energy: 1.0144326531357741
Energy: 0.9580705025993189
Energy: 1.012584031022687
Energy: 0.9378991804656343
Energy: 1.012584031022687
Energy: 0.9453415773523342
Energy: 0.9832453977651855
Energy: 0.9362190737000237
Energy: 0.9832453977651855
Energy: 0.9352730166588691
Energy: 0.9826858115130606
Energy: 1.0757161086259348
Energy: 0.9826858115130606
Energy: 0.9737685656968559
Energy: 0.9800799618969307
Energy: 0.9734671446569096
Energy: 0.9800799618969307
Energy: 0.942853481509808
Energy: 0.9806973097742765
Energy: 0.9688143702320914
Energy: 0.9806973097742765
Energy: 1.195119708553787
Energy: 1.0132927943256835
Energy: 0.9364058638853869
Energy: 1.013292794324923
Energy: 0.9560883919570591
Energy: 0.9637482261896025
Energy: 1.1036836913484862
Energy: 0.9637482261896025
Energy: 1.1347104693751286
Energy: 1.0205163494986365
Energy: 0.9373341525901103
Energy: 1.0205163494986365
Energy: 0.9495331440217695
Energy: 0.9805348407415962
Energy: 1.0271800270046223
Energy: 0.9805348407415962
Energy: 0.955752589121976
Energy: 1.0247445870930834
Energy: 0.942247485462785
Energy: 1.0247445870930834
Energy: 0.9320397684866109
Energy: 1.0150100762393928
Energy: 0.9803062578561509
Energy: 1.0150100762393928
Energy: 0.9237254514074968
Energy: 0.9819509346761368
Energy: 0.9553596591714735
Energy: 0.9819509346761368
Energy: 0.9493375754251144
Energy: 1.0153339872165403
Energy: 0.9602876509141834
Energy: 1.0153339872165403
Energy: 0.9283100777429838
Energy: 0.9831372073209479
Energy: 0.9249951522415596
Energy: 0.9831372073209479
Energy: 1.0733186254579612
Energy: 0.9782597699666246
Energy: 0.9322324421736718
Energy: 0.9782597699666246
Energy: 1.0692437682315936
Energy: 0.962110007956501
Energy: 0.9258864600617567
Energy: 0.962110007956501
Energy: 0.9673753328243146
Energy: 0.9809857527747003
Energy: 0.9429131476679751
Energy: 0.9809857527747003
Energy: 0.9283626227867927
Energy: 1.0047050853225172
Energy: 1.0402894894205283
Energy: 1.004705085321757
Energy: 0.9694986105116726
Energy: 1.0003050860693676
Energy: 0.9548223658384247
Energy: 1.0003050860693676
Energy: 0.9355916887220324
Energy: 1.0184746749403168
Energy: 1.0266333682603879
Energy: 1.0184746749403168
Energy: 1.1174571733472682
Energy: 0.9798479973927238
Energy: 0.9483357294129238
Energy: 0.9798479973927238
Energy: 0.9407670087018197
Energy: 0.9673601512287373
Energy: 1.0312487878197043
Energy: 0.9673601512287373
Energy: 1.129708764627131
Energy: 0.9975308122835997
Energy: 0.9344686198226678
Energy: 0.997530812282839
Energy: 0.9534852320196687
Energy: 0.9830567491523302
Energy: 0.9267882953880396
Energy: 0.9830567491523302

minimum gb energy = 0.9237254514074968 eV
minimum distance =  2.28287366352592 Angstroms
sigma value = 1


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

Energy: 0.935895202478392
Energy: 0.9347566771812027
Energy: 0.9227889409525897
Energy: 0.9347566771812027
Energy: 0.9264995593399347
Energy: 0.9480025598694162
Energy: 0.8870669128307367
Energy: 0.9480025598683643
Energy: 0.8748692436076112
Energy: 0.9348063009177423
Energy: 1.225316582844255
Energy: 0.9348063009177423
Energy: 0.9029395907540071
Energy: 0.9863815923523622
Energy: 0.8867473284716024
Energy: 0.9863815923523622
Energy: 0.8764666163395675
Energy: 1.019706385676611
Energy: 1.0835118332982487
Energy: 1.019706385676611
Energy: 0.8750384308675576
Energy: 0.9384445648832286
Energy: 0.8867493619607618
Energy: 0.9384445648842804
Energy: 0.8766156552646048
Energy: 1.0193514848788505
Energy: 0.9028677537028603
Energy: 1.0193514848788505
Energy: 0.8761568519380722
Energy: 0.938158359699734
Energy: 0.924039332172551
Energy: 0.938158359699734
Energy: 0.9341276344350931
Energy: 0.9277259455673033
Energy: 0.9098215111019919
Energy: 0.9277259455662515
Energy: 0.9342724287190292
Energy: 0.92774241573328
Energy: 0.9392287197293814
Energy: 0.92774241573328
Energy: 0.8765729949123564
Energy: 0.9381340916671499
Energy: 0.9098730361870951
Energy: 0.9381340916671499
Energy: 0.8759678063086628
Energy: 1.019257649400226
Energy: 0.923567377793545
Energy: 1.019257649400226
Energy: 0.8758196263506839
Energy: 0.9385159602752379
Energy: 0.8867252145329126
Energy: 0.9385159602752379
Energy: 0.876482194955619
Energy: 1.019704562912466
Energy: 1.0707175765935442
Energy: 1.019704562912466
Energy: 0.9029392515279526
Energy: 0.9863532129041905
Energy: 0.8867174938293371
Energy: 0.9863532129041905
Energy: 0.8748723251784033
Energy: 0.9348090736964745
Energy: 0.9655218805526083
Energy: 0.9348090736964745
Energy: 0.9264622249230066
Energy: 0.9480235123304774
Energy: 0.8870123840307225
Energy: 0.9480235123304774
Energy: 0.935895202478392
Energy: 0.9347566771812027
Energy: 0.9378348663895241
Energy: 0.9347566771812027
Energy: 0.9264995593399347
Energy: 0.9480025598694162
Energy: 0.8870669128307367
Energy: 0.9480025598694162
Energy: 0.8748692436076112
Energy: 0.9348063009177423
Energy: 1.2253165828432033
Energy: 0.9348063009177423
Energy: 0.9029395907529554
Energy: 0.9863815923523622
Energy: 0.8867473284716024
Energy: 0.9863815923523622
Energy: 0.8764666163406192
Energy: 1.019706385676611
Energy: 1.0835118331731368
Energy: 1.019706385676611
Energy: 0.8750384308675576
Energy: 0.9384445648853321
Energy: 0.8867493619607618
Energy: 0.9384445648853321
Energy: 0.8766156552646048
Energy: 1.0193514848788505
Energy: 0.9028677537028603
Energy: 1.0193514848788505

minimum gb energy = 0.8748692436076112 eV
minimum distance =  2.3008835923138 Angstroms
sigma value = 17


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

Energy: 0.9232410470596153
Energy: 0.9216063043635078
Energy: 1.1530661451889752
Energy: 0.9216063043628577
Energy: 1.0423782283740728
Energy: 0.9077452229427987
Energy: 0.8886386189703813
Energy: 0.9077452229447488
Energy: 0.8845889620104237
Energy: 0.9108996776564311
Energy: 1.1079028757040255
Energy: 0.9108996776564311
Energy: 0.920568936258549
Energy: 0.8822109563212444
Energy: 0.8796886949925238
Energy: 0.8822109563218944
Energy: 0.8776882087808543
Energy: 0.9770628360051486
Energy: 0.8981527375350751
Energy: 0.9770628360051486
Energy: 0.8742804859330477
Energy: 0.8922614296956173
Energy: 0.8964980402571409
Energy: 0.8922614296813748
Energy: 0.8898729984625922
Energy: 0.9615365665496399
Energy: 0.9136742370862949
Energy: 0.9615365665496399
Energy: 0.8754505867118938
Energy: 0.9514127078182855
Energy: 0.8796300647194465
Energy: 0.9514127078195855
Energy: 0.9248782488236447
Energy: 1.0732815972926018
Energy: 0.8992996401060639
Energy: 1.0732815972919516
Energy: 0.9219311364668069
Energy: 0.9466143689624109
Energy: 0.8875028672772189
Energy: 0.9466143689604607
Energy: 0.884711114287142
Energy: 0.9257710563090422
Energy: 0.8845343550929162
Energy: 0.9257710563103423
Energy: 0.8873102572603806
Energy: 0.9530089663091764
Energy: 0.8787524300662414
Energy: 0.9530089663091764
Energy: 0.8725639541836788
Energy: 0.9399287095686684
Energy: 0.8876849095581943
Energy: 0.9399287095680182
Energy: 0.8843185263865292
Energy: 0.9758077120727163
Energy: 0.9406536894310716
Energy: 0.9758077120733663
Energy: 0.8732707151281475
Energy: 0.885559129573648
Energy: 0.9296415346668969
Energy: 0.8855591295755981
Energy: 0.8844957819690963
Energy: 0.9123352670521998
Energy: 0.8973230302316103
Energy: 0.9123352670534999
Energy: 0.9026133650238016
Energy: 0.8856387235934721
Energy: 0.8875326160491647
Energy: 0.8856387235980225
Energy: 0.880477771131164
Energy: 0.9224323287617435
Energy: 0.8899949293052125
Energy: 0.9224323287617435
Energy: 1.0285168748914746
Energy: 0.9553608516484979
Energy: 0.8863691784018609
Energy: 0.9553608516478478
Energy: 0.8934543220371716
Energy: 0.910738927497958
Energy: 0.9305750871464836
Energy: 0.9107389274973081
Energy: 0.8843431659255768
Energy: 0.900504100760515
Energy: 0.8828695104021715
Energy: 0.9005041007585649
Energy: 0.8811165339362586
Energy: 0.9235317750178126
Energy: 1.037288869597527
Energy: 0.9235317750158624
Energy: 0.9079994747307589
Energy: 0.8901934063816171
Energy: 0.8947277832267597
Energy: 0.8901934063829173
Energy: 0.8849182765207751
Energy: 0.9632415237415048
Energy: 1.0435457364921534
Energy: 0.963241523742805
Energy: 0.9072007323173957
Energy: 0.9227763270273824
Energy: 0.8817905937608744
Energy: 0.9227763270260823
Energy: 0.8798721745199227
Energy: 0.9778936818456855
Energy: 0.9017648847940188
Energy: 0.9778936818463356
Energy: 1.0352339555760375
Energy: 0.9393399629393224
Energy: 0.8854947498540929
Energy: 0.9393399629393224
Energy: 0.933279364269049
Energy: 1.0564379468383434
Energy: 0.8730701438105031
Energy: 1.0564379468071399
Energy: 0.9366334600354885
Energy: 0.9756815637418056
Energy: 0.8788171177664383
Energy: 0.9756815637418056
Energy: 0.8796969873613356
Energy: 0.9389030009002599
Energy: 0.9241066196070303
Energy: 0.9389030008983096
Energy: 0.8877667871858159
Energy: 0.9756210190317598
Energy: 0.8907729394577785
Energy: 0.9756210190324097
Energy: 0.8729359576543089
Energy: 1.053435091993094
Energy: 0.8816926135381985
Energy: 1.053435091993094
Energy: 0.88584272539448
Energy: 0.9472550799548181
Energy: 1.0613281535628099
Energy: 0.9472550799554681
Energy: 0.9243934260127795
Energy: 1.0723666680756063
Energy: 0.8946962350565836
Energy: 1.0723666680743063
Energy: 0.8816310653263781
Energy: 0.9235153939624313
Energy: 0.9129582974271496
Energy: 0.9235153939630814
Energy: 0.9433729421334055
Energy: 0.9628468597139537
Energy: 0.8880745989482228
Energy: 0.9628468597146036
Energy: 0.894769832757861
Energy: 0.8917392771920483
Energy: 0.8766451486806768
Energy: 0.891739277189448
Energy: 0.8984822840634907
Energy: 0.9784526337580701
Energy: 0.8812129744791136
Energy: 0.9784526337587203

minimum gb energy = 0.8725639541836788 eV
minimum distance =  2.28908004581531 Angstroms
sigma value = 89


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

Energy: 0.8128074494348442
Energy: 0.8123328741878785
Energy: 0.8204439374653418
Energy: 0.8123328741878785
Energy: 0.8209402903291639
Energy: 0.8397603786770282
Energy: 0.8222492518662708
Energy: 0.8397603786770282
Energy: 0.820907199610844
Energy: 0.956950881213235
Energy: 1.3624918626998899
Energy: 0.956950881213235
Energy: 0.8061929288300856
Energy: 0.83973611979909
Energy: 0.8223038080161514
Energy: 0.83973611979909
Energy: 0.8218464807544268
Energy: 0.8915866597534202
Energy: 0.8148605738776108
Energy: 0.8915866597534202
Energy: 0.8134575991625924
Energy: 0.8137109752374715
Energy: 0.8167702221348639
Energy: 0.8137109752374715
Energy: 0.8212180718776732
Energy: 0.9569700661659372
Energy: 0.8129076502920825
Energy: 0.9569700661659372
Energy: 0.8145062395666459
Energy: 0.9561493955281049
Energy: 0.8223249870111373
Energy: 0.9561493955281049
Energy: 0.8237386478036194
Energy: 0.8919022342775493
Energy: 0.8074666110796431
Energy: 0.8919022342775493
Energy: 0.8408329319887771
Energy: 0.8883016830590614
Energy: 0.8150806540811036
Energy: 0.8883016830590614
Energy: 0.8120234610261292
Energy: 0.8405373700171427
Energy: 0.8207718286239041
Energy: 0.8405373700171427
Energy: 0.8121879648776414
Energy: 0.9584027477747671
Energy: 0.8221149883258402
Energy: 0.9584027477747671
Energy: 0.8231090203264703
Energy: 0.8150932126351221
Energy: 0.8075124577743314
Energy: 0.8150932126351221
Energy: 0.8155107045141076
Energy: 0.8898319578515254
Energy: 0.815317028236725
Energy: 0.8898319578515254
Energy: 0.8123772232333439
Energy: 0.8151874696602729
Energy: 0.8229069692881474
Energy: 0.8151874696602729

minimum gb energy = 0.8061929288300856 eV
minimum distance =  2.31488819970723 Angstroms
sigma value = 13


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

Energy: 0.8048488843905435
Energy: 0.773283253782108
Energy: 1.0996516784044865
Energy: 0.7732832537828209
Energy: 0.9472139456923064
Energy: 0.7925494400517699
Energy: 0.7679917937341851
Energy: 0.792549440050344
Energy: 0.7747604041975701
Energy: 0.7736227112693707
Energy: 1.1453515535862822
Energy: 0.7736227112700835
Energy: 0.7782528219446181
Energy: 0.792564332228242
Energy: 0.7637905089183271
Energy: 0.7925643322289551
Energy: 0.7834903122328432
Energy: 0.8328065298781743
Energy: 0.7787445220009845
Energy: 0.8328065298774614
Energy: 0.7752453885750347
Energy: 0.7934630576418266
Energy: 0.7857870182549571
Energy: 0.7934630576404007
Energy: 0.783242870637205
Energy: 0.8336794662494436
Energy: 0.802723096049422
Energy: 0.8336794662480177
Energy: 0.7679333971787883
Energy: 0.7928145091778266
Energy: 0.7858203573989962
Energy: 0.7928145091785395
Energy: 0.783526470548872
Energy: 0.8337681465543253
Energy: 0.9193917266165254
Energy: 0.8337681465543253
Energy: 0.9314196330335428
Energy: 0.8496950239829224
Energy: 0.7641224199658194
Energy: 0.8496950239836354
Energy: 0.7835502552031075
Energy: 0.8510816721665169
Energy: 0.7669408986039662
Energy: 0.8510816721665169
Energy: 1.0415327028505055
Energy: 0.849936902749423
Energy: 0.7631874066639663
Energy: 0.8499369027501359
Energy: 0.8132650183157372
Energy: 0.7884429396141822
Energy: 0.7657349509701706
Energy: 0.7884429396141822
Energy: 1.0817834885324251
Energy: 0.8502187825055189
Energy: 0.763424246777852
Energy: 0.8502187825055189
Energy: 0.7793683721299888
Energy: 0.7735917927494161
Energy: 0.7663965497236069
Energy: 0.7735917927472773
Energy: 0.795459860531558
Energy: 0.8507884398509643
Energy: 0.7671131387525375
Energy: 0.8507884398502514
Energy: 0.7866934310025867
Energy: 0.8288096573860775
Energy: 0.7676946794141627
Energy: 0.8288096573860775
Energy: 0.7806728017699401
Energy: 0.8313966423112403
Energy: 0.7941310157865572
Energy: 0.8313966423112403
Energy: 0.7867070443917228
Energy: 0.7888476413470822
Energy: 0.7945779527420312
Energy: 0.7888476413470822
Energy: 0.7866499277992693
Energy: 0.7888088180183429
Energy: 0.7939743795199741
Energy: 0.78880881801763
Energy: 0.780851227735472
Energy: 0.8314579066483976
Energy: 0.7936994414856691
Energy: 0.8314579066483976
Energy: 0.7869794772042878
Energy: 0.8287937605706335
Energy: 0.7677241724784263
Energy: 0.8287937605706335
Energy: 0.7948810123115178
Energy: 0.8506744439613739
Energy: 0.7673404877349846
Energy: 0.8506744439613739
Energy: 0.7812788007965576
Energy: 0.7737478843079223
Energy: 0.7689475143965229
Energy: 0.7737478843150514
Energy: 1.0819191357523112
Energy: 0.8502347447829643
Energy: 0.7634204223120398
Energy: 0.8502347447836772
Energy: 0.8131210459834561
Energy: 0.7883628489057616
Energy: 0.768567825910859
Energy: 0.7883628489057616
Energy: 1.04178036819699
Energy: 0.8497330143627079
Energy: 0.7632356441749041
Energy: 0.849733014361282
Energy: 0.7834213102997075
Energy: 0.8510670844854655
Energy: 0.7685271277264207
Energy: 0.8510670844847527
Energy: 0.9313308230559643
Energy: 0.8497900722771256
Energy: 0.7641268282510322
Energy: 0.8497900722785514
Energy: 0.7833480753864069
Energy: 0.8338192524539787
Energy: 1.030584497094315
Energy: 0.83381925245184
Energy: 0.770658098821217
Energy: 0.7927152203777303
Energy: 0.7858437527913873
Energy: 0.7927152203777303
Energy: 0.7833424562671963
Energy: 0.8339379185266933
Energy: 0.911841421645295
Energy: 0.8339379185266933
Energy: 0.7755122821014608
Energy: 0.7935054821523008
Energy: 0.7857401616134093
Energy: 0.7935054821537265
Energy: 0.7834843188976709
Energy: 0.8328550564630053
Energy: 0.777616972225707
Energy: 0.8328550564637182
Energy: 0.7783269278206858
Energy: 0.7926404187605314
Energy: 0.7639289822508821
Energy: 0.7926404187605314

minimum gb energy = 0.7631874066639663 eV
minimum distance =  2.32677421723347 Angstroms
sigma value = 37


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

Energy: 0.736897120654399
Energy: 0.7358498320862358
Energy: 0.6984027778508545
Energy: 0.7358498320862358
Energy: 0.7240654304217554
Energy: 0.7356985724958363
Energy: 0.7012227410569691
Energy: 0.7356985724933832
Energy: 0.7135238377716893
Energy: 0.8317447363400456
Energy: 1.2204663788215677
Energy: 0.8317447363400456
Energy: 0.6952299867155025
Energy: 0.7356294071203114
Energy: 0.7001802946103688
Energy: 0.7356294071203114
Energy: 0.6997800184743113
Energy: 0.7354796624171268
Energy: 0.6962273559624014
Energy: 0.7354796624183534
Energy: 0.6906062168366233
Energy: 0.7357007753829089
Energy: 0.6972531645968826
Energy: 0.7357007753829089
Energy: 0.722122586267201
Energy: 0.771523663421115
Energy: 0.9373714590652124
Energy: 0.771523663421115
Energy: 0.6952869077941237
Energy: 0.7364753538901188
Energy: 0.7388935667779921
Energy: 0.7364753538901188
Energy: 0.6998454429516986
Energy: 0.7357206483497511
Energy: 0.9439039988638869
Energy: 0.7357206483497511
Energy: 0.9981922280078216
Energy: 0.8201990146354059
Energy: 0.6973340986048785
Energy: 0.8201990146366325
Energy: 0.722235737588843
Energy: 0.7711602224336651
Energy: 0.6970265816737772
Energy: 0.7711602224336651
Energy: 0.9880578825723736
Energy: 0.7359358545742782
Energy: 0.7001544854118132
Energy: 0.7359358545742782
Energy: 0.6999460812359192
Energy: 0.7358224019823089
Energy: 0.6907063800130449
Energy: 0.7358224019823089
Energy: 0.9461615802668203
Energy: 0.771348327858599
Energy: 0.7011087313173583
Energy: 0.7713483278598257
Energy: 0.7353651004768832
Energy: 0.7718260837743328
Energy: 0.695438873137029
Energy: 0.7718260837743328
Energy: 0.7357964074732686
Energy: 0.7360318115369489
Energy: 0.7004097390856073
Energy: 0.7360318115369489
Energy: 0.7002258379066377
Energy: 0.8211638791485789
Energy: 0.6906555894264698
Energy: 0.8211638791485789
Energy: 0.7015857380662877
Energy: 0.8527686723905828
Energy: 0.7016096005909659
Energy: 0.8527686723893563
Energy: 0.7020367937511391
Energy: 0.7372581062171799
Energy: 0.6956222897225144
Energy: 0.7372581062171799
Energy: 0.6954150592138961
Energy: 0.7364675871479232
Energy: 0.6944709377694318
Energy: 0.7364675871479232

minimum gb energy = 0.6906062168366233 eV
minimum distance =  2.33050855092443 Angstroms
sigma value = 25


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

Energy: 0.677003568708387
Energy: 0.6385208734226239
Energy: 0.618225060795242
Energy: 0.6385208734216661
Energy: 0.8348694308985428
Energy: 0.6545915714141916
Energy: 0.6421414011921825
Energy: 0.6545915714132338
Energy: 0.6362819986224432
Energy: 0.6358226927694274
Energy: 0.8728836984464924
Energy: 0.6358226927694274
Energy: 0.6392507063621161
Energy: 0.6549329294154681
Energy: 0.6416822176258601
Energy: 0.6549329294250458
Energy: 0.6412630990595265
Energy: 0.6547660717538413
Energy: 0.619079606785703
Energy: 0.654766071750968
Energy: 0.6156370389235394
Energy: 0.6553345311904687
Energy: 0.6419032103252409
Energy: 0.655334531189511
Energy: 0.6414380252381084
Energy: 0.6360769695121333
Energy: 0.6399197132945065
Energy: 0.6360769695140489
Energy: 0.6129802047333976
Energy: 0.6763864958531406
Energy: 0.6373908614470474
Energy: 0.6763864958521828
Energy: 0.6412635251262795
Energy: 0.6547427449843934
Energy: 0.8355485767407551
Energy: 0.6547427449824779
Energy: 0.6157872786126976
Energy: 0.6383213832011739
Energy: 0.6782248987384076
Energy: 0.6383213831992584
Energy: 0.6414608073552316
Energy: 0.6362472215686055
Energy: 1.0159346045223345
Energy: 0.6362472215676477
Energy: 0.8667928218065146
Energy: 0.7486946688985133
Energy: 0.6374736483142314
Energy: 0.7486946688966413
Energy: 0.640962895034544
Energy: 0.6548353765539991
Energy: 0.816129636916544
Energy: 0.6548353765530415
Energy: 0.8561026925814402
Energy: 0.7028092358594931
Energy: 0.6411558838075119
Energy: 0.7028092358575774
Energy: 0.6416271383110606
Energy: 0.6360997859389698
Energy: 0.6161452599207965
Energy: 0.6360997859380119
Energy: 0.8482927969472323
Energy: 0.7483384071301369
Energy: 0.6448817119249525
Energy: 0.748338407129179
Energy: 0.6413798750730899
Energy: 0.6763522444222873
Energy: 0.613112908646855
Energy: 0.6763522444222873
Energy: 0.8441232280543706
Energy: 0.6546051342054113
Energy: 0.6417917492811027
Energy: 0.6546051342034956
Energy: 0.6812495157567475
Energy: 0.6358954402390063
Energy: 0.6168916947911672
Energy: 0.6358954402399641
Energy: 1.0120505264662631
Energy: 0.7456818319741132
Energy: 0.6446321444593099
Energy: 0.7456818319721976
Energy: 0.6409567716262169
Energy: 0.7440366028159864
Energy: 0.6132462357301065
Energy: 0.7440366028159864
Energy: 0.6359276363753875
Energy: 0.6549178634370657
Energy: 0.6396411812929117
Energy: 0.6549178634370657
Energy: 0.6414667394851238
Energy: 0.7026678797568567
Energy: 0.8614908242203602
Energy: 0.7026678797549412
Energy: 0.6185963479088287
Energy: 0.7460391690391761
Energy: 0.6443910707225136
Energy: 0.7460391690391761
Energy: 0.6397462986941277
Energy: 0.7444914624030193
Energy: 0.84947130974224
Energy: 0.7444914624030193
Energy: 0.6154740954246176
Energy: 0.6765076144474239
Energy: 0.642242526364251
Energy: 0.6765076144474239

minimum gb energy = 0.6129802047333976 eV
minimum distance =  2.33440589168903 Angstroms
sigma value = 41


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

Energy: 0.8972986788664727
Energy: 0.592628003959465
Energy: 0.5581069283286806
Energy: 0.5926280039602502
Energy: 0.9040731571192809
Energy: 0.5789977103064391
Energy: 0.571388282103695
Energy: 0.57899771030958
Energy: 0.5913153804285766
Energy: 0.5690120163020276
Energy: 0.5556199052313185
Energy: 0.5690120163020276
Energy: 0.7421948597538801
Energy: 0.5794784223489888
Energy: 0.5713449012532631
Energy: 0.5794784223482037
Energy: 0.5677252331432527
Energy: 0.6083452624553186
Energy: 0.5613155249278501
Energy: 0.6083452624545334
Energy: 0.5776030939845958
Energy: 0.5797659943912359
Energy: 0.5713202068406884
Energy: 0.5797659943928063
Energy: 0.5706481069514046
Energy: 0.5793093649860138
Energy: 0.5770428772279039
Energy: 0.5793093649820877
Energy: 0.5567238680075369
Energy: 0.5919224323432021
Energy: 0.5687110262613381
Energy: 0.5919224323432021
Energy: 0.5735369887782357
Energy: 0.5925024705207393
Energy: 0.7414797424852789
Energy: 0.5925024705223096
Energy: 0.5550947686479326
Energy: 0.569510662444868
Energy: 0.5921904371215688
Energy: 0.569510662444868
Energy: 0.5706808769534616
Energy: 0.5792212287085001
Energy: 1.0286235213280637
Energy: 0.5792212287077149
Energy: 0.556869209848408
Energy: 0.5929241247192787
Energy: 0.8974952479115349
Energy: 0.5929241247177081
Energy: 0.5734296009813248
Energy: 0.5948816048064723
Energy: 1.0273973089530397
Energy: 0.5948816048080428
Energy: 0.7691962755642584
Energy: 0.6488801429297585
Energy: 0.5924015739053151
Energy: 0.6488801429282237
Energy: 0.5706575697697521
Energy: 0.5791896619365978
Energy: 0.8931492957822569
Energy: 0.5791896619365978
Energy: 0.7716161063231076
Energy: 0.5936671307295673
Energy: 0.5685945817098995
Energy: 0.5936671307287821
Energy: 0.5734327717484867
Energy: 0.5925557389136817
Energy: 0.7305600890302266
Energy: 0.5925557389105408
Energy: 0.7568470684879997
Energy: 0.6489113736195637
Energy: 0.5712799691777706
Energy: 0.6489113736227046
Energy: 0.5707604955520319
Energy: 0.5918525094467738
Energy: 0.5568381331838085
Energy: 0.5918525094452033
Energy: 0.7590550282813745
Energy: 0.5933654653827951
Energy: 0.5763295970619298
Energy: 0.5933654653812247
Energy: 0.5944656156337129
Energy: 0.5928597835006043
Energy: 0.5548651635011883
Energy: 0.5928597835006043
Energy: 1.0259724500225675
Energy: 0.6617731020374197
Energy: 0.5714694289148646
Energy: 0.6617731020374197
Energy: 0.8982210197161375
Energy: 0.5919111038730798
Energy: 0.5565979545165146
Energy: 0.5919111038660128
Energy: 0.9103688815789376
Energy: 0.5927939451180904
Energy: 0.5766337102091083
Energy: 0.5927939451282984
Energy: 0.5944787635853961
Energy: 0.6499947240358425
Energy: 0.5549616056783772
Energy: 0.6499947240342722
Energy: 0.8925948766848114
Energy: 0.607160172594856
Energy: 0.5714794675023768
Energy: 0.6071601725964264
Energy: 0.5706766460472376
Energy: 0.5921848257387488
Energy: 0.7694766438576045
Energy: 0.5921848257363932
Energy: 0.5715511814946519
Energy: 0.591789819066971
Energy: 0.5766462025621107
Energy: 0.5917898190685416
Energy: 0.5734892789657694
Energy: 0.6503748469160036
Energy: 0.7616500809638387
Energy: 0.6503748469160036
Energy: 0.5653094727250912
Energy: 0.6267542797024411
Energy: 0.5738952327673584
Energy: 0.6267542797047969
Energy: 0.5754784793877176
Energy: 0.5922081019850929
Energy: 0.7662730727963323
Energy: 0.5922081019850929
Energy: 0.5564235574680874
Energy: 0.5923787998219342
Energy: 0.5978244414382984
Energy: 0.5923787998227193

minimum gb energy = 0.5548651635011883 eV
minimum distance =  2.32354773293957 Angstroms
sigma value = 15


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

Energy: 0.8090504607239
Energy: 0.5358438160656747
Energy: 0.9606523669836526
Energy: 0.535843816067005
Energy: 0.926226005641022
Energy: 0.5333183846473737
Energy: 0.5346353107818647
Energy: 0.5333183846393913
Energy: 0.5539898794558222
Energy: 0.5330883126796734
Energy: 1.0479390982267092
Energy: 0.5330883126796734
Energy: 0.8101392527861799
Energy: 0.5346211656067805
Energy: 0.5345663366674568
Energy: 0.534621165604785
Energy: 0.5323278503308013
Energy: 0.5369458641801603
Energy: 0.7930103645021676
Energy: 0.5369458641535526
Energy: 0.8052701942163205
Energy: 0.5334598541189117
Energy: 0.5346144274577542
Energy: 0.5334598541195769
Energy: 0.5341870849393648
Energy: 0.5450195709710113
Energy: 0.5290265106396856
Energy: 0.5450195706026755
Energy: 0.6666378688394757
Energy: 0.5434286833560528
Energy: 0.5346304719088191
Energy: 0.5434286833567179
Energy: 0.5360146108534145
Energy: 0.5449482818350382
Energy: 0.6689285200647452
Energy: 0.5449482818410248
Energy: 0.5268915866694879
Energy: 0.5332799704183366
Energy: 0.5328744570957521
Energy: 0.5332799704382924
Energy: 0.5341143612914151
Energy: 0.5337568348261336
Energy: 0.810060070609507
Energy: 0.5337568348234727
Energy: 0.5103475714918656
Energy: 0.5333005259568653
Energy: 0.5543197268816886
Energy: 0.5333005259522089
Energy: 0.5360595729495191
Energy: 0.5451213668828739
Energy: 1.033617356302715
Energy: 0.5451213668835391
Energy: 0.5265836529253042
Energy: 0.5364808836236972
Energy: 0.8095111143331256
Energy: 0.5364808836250275
Energy: 0.5342247395467464
Energy: 0.5333106111772816
Energy: 1.0364088696036209
Energy: 0.5333106111872596
Energy: 0.6951307239566895
Energy: 0.5334707305363335
Energy: 0.5543971035796388
Energy: 0.5334707305343379
Energy: 0.5360667568350491
Energy: 0.5438082722520403
Energy: 0.9182565666019046
Energy: 0.5438082722533708
Energy: 0.6990550773248176
Energy: 0.5810850626218462
Energy: 0.5328658812523136
Energy: 0.5810850626178551
Energy: 0.5342466400335277
Energy: 0.5328301737630282
Energy: 0.8029346574817712
Energy: 0.5328301737650238
Energy: 0.6896195135654755
Energy: 0.5337784988046562
Energy: 0.5346200837514306
Energy: 0.5337784988053215
Energy: 0.5360186997976432
Energy: 0.5542431852727581
Energy: 0.6651959054013165
Energy: 0.5542431852547979
Energy: 0.6977364694050819
Energy: 0.5437110466647654
Energy: 0.5380899880347546
Energy: 0.5437110466627699
Energy: 0.534261157032369
Energy: 0.5328983162505072
Energy: 0.5237698966777431
Energy: 0.5328983162511723
Energy: 0.953935812984814
Energy: 0.5342321674552272
Energy: 0.5347157840420722
Energy: 0.5342321674519012
Energy: 0.5558643661116027
Energy: 0.5539189472565129
Energy: 0.5273151769740889
Energy: 0.5539189472598389
Energy: 0.9316164412568837
Energy: 0.5430466184772473
Energy: 0.5378245713482415
Energy: 0.5430466184765822
Energy: 0.8104594801390276
Energy: 0.5331655716673809
Energy: 0.5239753700605615
Energy: 0.5331655716653853
Energy: 1.0339384921907255
Energy: 0.5348114023966439
Energy: 0.5347617355248416
Energy: 0.5348114023986394
Energy: 0.5558032113366799
Energy: 0.6024753119605484
Energy: 0.525262435897795
Energy: 0.6024753119605484
Energy: 0.8145283331830505
Energy: 0.5437397732692838
Energy: 0.5382287061345894
Energy: 0.5437397732679534
Energy: 0.5341320256480889
Energy: 0.5808222211794906
Energy: 0.6973280995819023
Energy: 0.5808222211781601
Energy: 0.8031245273727892
Energy: 0.5325514950612114
Energy: 0.5346576071916421
Energy: 0.5325514950612114
Energy: 0.5360349471929295
Energy: 0.6081174878345994
Energy: 0.6847683213888245
Energy: 0.6081174878326038
Energy: 0.5313671217574464
Energy: 0.5540068359291764
Energy: 0.5380112850469303
Energy: 0.5540068359305069
Energy: 0.5296227194054877
Energy: 0.5811047073900405
Energy: 0.6961524786037908
Energy: 0.5811047073933663
Energy: 0.5249043083577598
Energy: 0.5323939461384185
Energy: 0.5365803415125066
Energy: 0.532393946136423
Energy: 0.5358920450882845
Energy: 0.6078326599918975
Energy: 0.9510894213532932
Energy: 0.6078326599952236

minimum gb energy = 0.5103475714918656 eV
minimum distance =  2.33269742002665 Angstroms
sigma value = 85


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

Energy: 0.8205778578849006
Energy: 0.5316561823816455
Energy: 0.6192220243963675
Energy: 0.5316561823591456
Energy: 0.9926589586637976
Energy: 0.5219489434799321
Energy: 0.4894355220163749
Energy: 0.521948943481086
Energy: 0.7907039089311769
Energy: 0.5273560498712927
Energy: 0.4870468628033562
Energy: 0.5273560498707158
Energy: 0.9683151475390732
Energy: 0.5181632512509361
Energy: 0.48937685440079237
Energy: 0.5181632512509361
Energy: 0.5768442093169565
Energy: 0.4961728679645571
Energy: 0.48995865872192695
Energy: 0.496172867965711
Energy: 0.863428877841607
Energy: 0.5264849262531083
Energy: 0.4892597886267287
Energy: 0.5264849262513773
Energy: 0.5472055586065088
Energy: 0.53464388364367
Energy: 0.5512324793393336
Energy: 0.534643883644247
Energy: 0.7573503184141617
Energy: 0.5166763688867833
Energy: 0.4970633238383299
Energy: 0.5166763688867833
Energy: 0.49613796751533734
Energy: 0.5021152636176612
Energy: 0.6738519065068898
Energy: 0.5021152636176612
Energy: 0.6418996487117201
Energy: 0.5286840090986875
Energy: 0.547616780559921
Energy: 0.5286840090986875
Energy: 0.4905778459840797
Energy: 0.51720076950239
Energy: 0.7878200872075929
Energy: 0.5172007695035438
Energy: 0.5178923504344628
Energy: 0.5229234219549546
Energy: 0.5772242547776055
Energy: 0.5229234219549546
Energy: 0.48895684264078254
Energy: 0.5010251858333621
Energy: 0.8904501893066935
Energy: 0.5010251858333621
Energy: 0.46196604686894277
Energy: 0.5275268562025692
Energy: 0.790989380872688
Energy: 0.5275268562019922
Energy: 0.4907280385108771
Energy: 0.5173513574604696
Energy: 1.0713868284881831
Energy: 0.5173513574616235
Energy: 0.4558085843039097
Energy: 0.5205296886566301
Energy: 0.7572349167111072
Energy: 0.5205296886566301
Energy: 0.4889708976053532
Energy: 0.5023320818518249
Energy: 1.0192518591842712
Energy: 0.502332081851248
Energy: 0.6052046660851056
Energy: 0.5275005671194417
Energy: 0.7909148303552642
Energy: 0.5275005671188647
Energy: 0.49045715870889867
Energy: 0.5180009277390686
Energy: 0.9679053653409564
Energy: 0.518000927743684
Energy: 0.611037107717886
Energy: 0.5203710908623832
Energy: 0.5771229558354858
Energy: 0.5203710908877678
Energy: 0.4898469068558552
Energy: 0.5093276122267097
Energy: 0.8631953884916939
Energy: 0.5093276122267097
Energy: 0.6654939642203833
Energy: 0.5173242788313172
Energy: 0.5476916512857867
Energy: 0.5173242788307402
Energy: 0.49740449016773575
Energy: 0.5163941934613874
Energy: 0.7573742235712636
Energy: 0.5163941934613874
Energy: 0.6745482158700601
Energy: 0.5361678975742564
Energy: 0.4971569361992745
Energy: 0.5361678975742564
Energy: 0.5490621140513753
Energy: 0.5182854209276846
Energy: 0.6418002972863254
Energy: 0.5182854209276846
Energy: 0.8975207828536091
Energy: 0.5174470831727325
Energy: 0.49125756052587166
Energy: 0.5174470831727325
Energy: 0.5787321194321455
Energy: 0.5164142977438236
Energy: 0.5179824302244944
Energy: 0.5164142977455544
Energy: 0.9084131899337206
Energy: 0.5394719912227841
Energy: 0.48938304722641246
Energy: 0.5394719912227841
Energy: 0.7912548817062124
Energy: 0.5286913417133126
Energy: 0.45648222667570854
Energy: 0.5286913417617742
Energy: 1.0713873038207629
Energy: 0.5173788961439273
Energy: 0.4905502825736762
Energy: 0.5173788961445042
Energy: 0.8214924548494981
Energy: 0.5259826147205345
Energy: 0.45585281724074295
Energy: 0.5259826147188037
Energy: 0.987632431199452
Energy: 0.5339043564692088
Energy: 0.489425236127909
Energy: 0.5339043564732472
Energy: 0.7913706326940031
Energy: 0.5285742863008233
Energy: 0.4559712133077372
Energy: 0.5285742863089002
Energy: 0.9679847434929343
Energy: 0.5180118655189833
Energy: 0.49113879560803925
Energy: 0.5180118655189833
Energy: 0.5785053582472794
Energy: 0.5162426328031281
Energy: 0.6107622719136164
Energy: 0.516242632803705
Energy: 0.7727458191063331
Energy: 0.543654867301214
Energy: 0.4912205623293602
Energy: 0.5436548673115987
Energy: 0.549134558589594
Energy: 0.5175711220081267
Energy: 0.6655004192094007
Energy: 0.5175711220075497
Energy: 0.7573086756438416
Energy: 0.51640134547818
Energy: 0.49871764755393616
Energy: 0.5164013454787569
Energy: 0.4973794258617247
Energy: 0.5164674081222652
Energy: 0.6744043157910551
Energy: 0.5164674081222652
Energy: 0.5292244151883024
Energy: 0.552230605991798
Energy: 0.5512607697639823
Energy: 0.5522306059935288
Energy: 0.4916376942299238
Energy: 0.5176010422671184
Energy: 0.897606578387839
Energy: 0.5176010422665415
Energy: 0.5179694669969613
Energy: 0.5162330446903666
Energy: 0.5808025122363131
Energy: 0.5162330447220972
Energy: 0.4905237950713885
Energy: 0.5165273970612159
Energy: 0.9085265786199721
Energy: 0.5165273970612159

minimum gb energy = 0.4558085843039097 eV
minimum distance =  2.34071841691337 Angstroms
sigma value = 113


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

Energy: 0.015486414514794867
Energy: 0.016382845550598386
Energy: 0.6448243720733129
Energy: 0.016382845550598386
Energy: 0.6443278866098883
Energy: 0.2514940051557164
Energy: 0.25149248243619077
Energy: 0.2514940051557164
Energy: 0.015486414514794867
Energy: 0.016382845550598386
Energy: 0.6448243720759
Energy: 0.016382845550598386
Energy: 0.6443278866098883
Energy: 0.25149400515527287
Energy: 0.25149248309418554
Energy: 0.2514940051557164
Energy: 0.015486414514794867
Energy: 0.016382845550598386
Energy: 0.6448243720754812
Energy: 0.016382845550598386
Energy: 0.6443278866098883
Energy: 0.2514940051557164
Energy: 0.25149248283106157
Energy: 0.2514940051557164

minimum gb energy = 0.015486414514794867 eV
minimum distance =  2.54313942734431 Angstroms
sigma value = 1