Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855258293449879
cohesive_energy=4.134425479783591
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=[1.7453631597805798e-19, 2.4881002037703e-19, 3.0979046524370396e-19, 3.65185722364254e-19, 4.10527321106454e-19, 4.46632371553644e-19, 4.75586907683292e-19, 4.99666020315678e-19, 5.20914086835786e-19, 5.4047826571356e-19, 5.5863893785995e-19, 5.75346435799302e-19, 5.905110376401119e-19, 6.040702584936539e-19, 6.16035313596366e-19, 6.26460676953804e-19, 6.354152421612299e-19, 6.429695049905399e-19, 6.491859503304599e-19, 6.54130267422984e-19, 6.57860134626936e-19, 6.60426821594604e-19, 6.618944153913479e-19, 6.623558422619399e-19, 6.6188320015491e-19, 6.6040919765163e-19, 6.57842510683962e-19, 6.540693847108919e-19, 6.48939215128824e-19, 6.42242116798704e-19, 6.337409675786999e-19, 6.2316660179429995e-19, 6.10224218944848e-19, 5.94492446575602e-19, 5.75348037975936e-19, 5.521901769080999e-19, 5.24253022941042e-19, 4.90096219280796e-19, 4.4723158561476e-19, 3.9274796699895597e-19, 3.17769304881024e-19, 1.8924910400808e-19, -4.39230315504564e-20, -4.54656072136716e-19, -1.086741991252494e-18, -1.9495926153165598e-18, -3.1136059834502397e-18, -4.6934162316396e-18, -6.942055115692259e-18, -1.0137980934597419e-17, -1.4493530157659098e-17, -2.03955483331566e-17]
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: 0.012779446244014088
Energy: 0.013251000574584008
Energy: 1.859711245221689
Energy: 0.9958209835928558
Energy: 0.013251000573606524
Energy: 0.2144322405815974
Energy: 0.9956892490140047
Energy: 0.21443224057668206
Energy: 1.8119852006260613
Energy: 0.9956892490140047
Energy: 1.2354832356835694
Energy: 0.9956892490140047
Energy: 0.9958209835997263
Energy: 0.21443224057668206
Energy: 0.9956892490140047
Energy: 0.21443224057768748

minimum gb energy = 0.012779446244014088 eV
minimum distance =  2.43057074772896 Angstroms
sigma value = 1


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

Energy: 2.03338212347942
Energy: 1.071831839359083
Energy: 1.2206115216124034
Energy: 1.2207956029327596
Energy: 2.0155953116978016
Energy: 0.9613065273203966
Energy: 0.9549574847317175
Energy: 0.9613065273203966
Energy: 1.867595751965261
Energy: 0.9538300780180018
Energy: 0.9562891807071457
Energy: 0.9538300780143437
Energy: 1.9437505658189502
Energy: 0.9552216142109904
Energy: 0.9548546277818463
Energy: 0.9552216142122097
Energy: 1.8814812832404721
Energy: 0.9554253899821464
Energy: 1.2243348349342467
Energy: 0.9554253899467854
Energy: 1.9432945281971903
Energy: 0.9555165495726624
Energy: 1.2850017868001744
Energy: 0.9555165495714432
Energy: 1.785964997821773
Energy: 0.9549062025589506
Energy: 1.2763763806739292
Energy: 0.9549062025491958
Energy: 1.573882218089627
Energy: 0.9545615839952677
Energy: 1.2445074939527752
Energy: 0.9545615839940483
Energy: 1.4274005119363762
Energy: 0.9544780662319797
Energy: 1.2746280171355773
Energy: 0.9544780662319797
Energy: 1.5797364702352588
Energy: 1.0201811261663687
Energy: 1.5815603581870703
Energy: 1.0201811261639298
Energy: 1.5890203789516353
Energy: 0.954462112061128
Energy: 1.4857989906942355
Energy: 0.9544621120599086
Energy: 1.2398046420756463
Energy: 0.9550462095067208
Energy: 1.5731194046836126
Energy: 0.9550462095079401
Energy: 1.3022641618476842
Energy: 0.9542413702169287
Energy: 1.5743242191298055
Energy: 0.9542413702022966
Energy: 1.2799413554002947
Energy: 0.9548232260786444
Energy: 1.862042979424444
Energy: 0.9548232260774251
Energy: 1.293792435073382
Energy: 0.9556745289536881
Energy: 1.6966462736019992
Energy: 0.9556745289561268
Energy: 0.9553913132384526
Energy: 0.9526150546657479
Energy: 1.8704250986228879
Energy: 0.9526150546645286
Energy: 0.9549659024945544
Energy: 0.9545083706594244
Energy: 1.8516623342043625
Energy: 0.9545083706667404
Energy: 0.9716273511425138
Energy: 0.955843826558342
Energy: 1.8498595202089791
Energy: 0.9558438265546839
Energy: 0.9527508627013
Energy: 0.9554591420657478
Energy: 1.7431645929660564
Energy: 0.9554591420755026
Energy: 1.0792597240915018
Energy: 0.9928815539086546
Energy: 1.9305508410316867
Energy: 0.9928815539062159
Energy: 1.0572396544853762
Energy: 0.954682806903337
Energy: 1.8684064293902212
Energy: 0.9546828069008982
Energy: 1.069201112459291
Energy: 0.9552207588032251
Energy: 1.75305730803603
Energy: 0.9552207588007865
Energy: 1.1676153403169907
Energy: 0.9545267536248837
Energy: 1.6213105923708928
Energy: 0.9545267536261031
Energy: 1.4246095221147326
Energy: 0.9548889993944234
Energy: 1.7683736093574918
Energy: 0.9548889993932043
Energy: 1.426556609812423
Energy: 1.1133961929974787
Energy: 1.757290717253667
Energy: 1.1133961930011365
Energy: 1.4056631505815433
Energy: 1.2260289118056686
Energy: 1.407513870346087
Energy: 1.2260289118081074
Energy: 1.4181927866039303
Energy: 1.0223026860943414
Energy: 1.4319854321484191
Energy: 1.0223026860979993
Energy: 1.7539469250958566
Energy: 0.9554784072050969
Energy: 1.405871072674779
Energy: 0.9554784072087549
Energy: 1.6952276285265653
Energy: 0.9543664622399113
Energy: 1.43501650780501
Energy: 0.9543664622447886
Energy: 1.6490977920910566
Energy: 0.9549354227263173
Energy: 1.0942346029138874
Energy: 0.9549354227275366
Energy: 1.7660269756954665
Energy: 0.954907063902267
Energy: 1.0709744727876827
Energy: 0.9549070638986088
Energy: 1.8495376412557007
Energy: 0.9549477981720405
Energy: 1.1261746378832247
Energy: 0.9549477981720405
Energy: 1.8401643798888154
Energy: 0.9550929435031178
Energy: 1.062962954852481
Energy: 0.9550929435592078

minimum gb energy = 0.9526150546645286 eV
minimum distance =  2.31838551261605 Angstroms
sigma value = 1


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

Energy: 2.2558367994550084
Energy: 1.156932493960764
Energy: 0.9934382963852013
Energy: 0.9925887676469886
Energy: 1.7673133244361146
Energy: 0.9926036493043322
Energy: 0.99131388141608
Energy: 0.9926036493043322
Energy: 1.7855935472494298
Energy: 0.9907628669771519
Energy: 0.9904374280905932
Energy: 0.9907628669743713
Energy: 1.7873690306611265
Energy: 0.9928644781138892
Energy: 0.9920367300252592
Energy: 0.9928644781138892
Energy: 1.9019827386755113
Energy: 0.9938425756589669
Energy: 1.1039913406369195
Energy: 0.9938425756756503
Energy: 1.7925806554119899
Energy: 0.9923349196050143
Energy: 1.315048550743307
Energy: 0.9923349196050143
Energy: 1.6061282188681498
Energy: 1.155330599866666
Energy: 1.210645462120091
Energy: 1.1553305998680563
Energy: 1.6062167733746502
Energy: 1.1521433991252863
Energy: 1.2303821790340876
Energy: 1.1521433991252863
Energy: 1.5883150195496754
Energy: 1.1528009225101294
Energy: 1.2308641960701319
Energy: 1.152800922507349
Energy: 1.6028411551400212
Energy: 1.0717576194544014
Energy: 1.5894699766654887
Energy: 1.0717576194544014
Energy: 1.6074504234204987
Energy: 1.1524963540467097
Energy: 1.395976457922122
Energy: 1.1524963540453192
Energy: 1.2052129209027482
Energy: 1.1522659524475325
Energy: 1.396395150591144
Energy: 1.1522659524475325
Energy: 1.2614306052310231
Energy: 0.9928680626013472
Energy: 1.5879098186070586
Energy: 0.9928680626041276
Energy: 1.2823162499228302
Energy: 0.9925837376606437
Energy: 1.7888436997939845
Energy: 0.9925837376620341
Energy: 1.1042257160827178
Energy: 0.9931056685142071
Energy: 1.7737223210127264
Energy: 0.9931056685155973
Energy: 0.9915174348295952
Energy: 0.9920430586313859
Energy: 1.7968360976622084
Energy: 0.9920430586313859
Energy: 0.9919561287552819
Energy: 0.9925391916455771
Energy: 1.7857184197867495
Energy: 0.9925391916427966
Energy: 0.9928018188418231
Energy: 0.9926663247616713
Energy: 1.7877680159080633
Energy: 0.9926663247602809
Energy: 0.9907811431803878
Energy: 0.9931519839055991
Energy: 1.901165516232696
Energy: 0.9931519839055991
Energy: 1.21314233010555
Energy: 0.9921296870618278
Energy: 1.786669331309652
Energy: 0.9921296870632182
Energy: 1.2048783319489818
Energy: 0.9923347538225057
Energy: 1.785634952217227
Energy: 0.9923347538238958
Energy: 1.2333894003370816
Energy: 1.152431165891909
Energy: 1.601861668813251
Energy: 1.152431165891909
Energy: 1.2381134133228546
Energy: 1.1529104693454355
Energy: 1.5883039486648431
Energy: 1.1529104693454355
Energy: 1.5891566158183275
Energy: 1.072220143112014
Energy: 1.6069627274870675
Energy: 1.072220143112014
Energy: 1.4166908500303539
Energy: 1.1523928466090974
Energy: 1.6016202059720102
Energy: 1.1523928466104876
Energy: 1.402586919894675
Energy: 1.152254758509178
Energy: 1.280887620890267
Energy: 1.152254758509178
Energy: 1.59704631775151
Energy: 0.9926096977569643
Energy: 1.2736493534643933
Energy: 0.9926096977583546
Energy: 1.8167759187668717
Energy: 0.9927696016785591
Energy: 1.2845968376262962
Energy: 0.9927696016785591
Energy: 1.777259609975808
Energy: 0.993356912629589
Energy: 1.2122406005347974
Energy: 0.9933569126309478

minimum gb energy = 0.9904374280905932 eV
minimum distance =  2.32875350572922 Angstroms
sigma value = 25


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

Energy: 2.1484005890650053
Energy: 1.166065646493097
Energy: 1.455286718482648
Energy: 1.5113638237207674
Energy: 1.7054144798983653
Energy: 1.099766197461315
Energy: 1.149944030741993
Energy: 1.099766197462931
Energy: 1.7162533316138986
Energy: 1.0576063175284516
Energy: 1.0567428223593827
Energy: 1.0576063175268353
Energy: 1.717654514065251
Energy: 1.0925493554136798
Energy: 1.0925993152226665
Energy: 1.0925493554120635
Energy: 1.6939298679562416
Energy: 1.057041557634518
Energy: 1.5051283215127034
Energy: 1.0570415576070433
Energy: 1.8528749437550716
Energy: 1.0583762744539515
Energy: 1.446056640431197
Energy: 1.0583762744523355
Energy: 1.7165411936586228
Energy: 1.1485377889079593
Energy: 1.4672377337843008
Energy: 1.1485377889079593
Energy: 1.4123570754071033
Energy: 1.1481786842784074
Energy: 1.4203440965962968
Energy: 1.1481786842784074
Energy: 1.418248247688397
Energy: 1.1471383608907206
Energy: 1.4263860581582408
Energy: 1.1471383608907206
Energy: 1.4462271227762333
Energy: 1.0580359633367866
Energy: 1.73207532003399
Energy: 1.0580359633367866
Energy: 1.3957671578014426
Energy: 1.0572018447620328
Energy: 1.7134900513910456
Energy: 1.0572018447652647
Energy: 1.0930378321308967
Energy: 1.0925311121267918
Energy: 1.7133292895483787
Energy: 1.0925311121251755
Energy: 1.0567393908559628
Energy: 1.0571818477873625
Energy: 1.7155568230825964
Energy: 1.0571818477873625
Energy: 1.1434257249963342
Energy: 1.0572400540250395
Energy: 1.715771906418379
Energy: 1.0572400540250395
Energy: 1.0934123365075092
Energy: 1.058460519161206
Energy: 1.6122621541586168
Energy: 1.0584605191595897
Energy: 1.2786400486902458
Energy: 1.1863176599929395
Energy: 1.8013146369951925
Energy: 1.1863176599929395
Energy: 1.1942304078932098
Energy: 1.056802588007774
Energy: 1.717533182370409
Energy: 1.056802588007774
Energy: 1.1953384799014757
Energy: 1.0572363260649604
Energy: 1.6133644532857694
Energy: 1.0572363260649604
Energy: 1.2947252167694077
Energy: 1.056817924712485
Energy: 1.5559372644767946
Energy: 1.056817924712485
Energy: 1.6321137755373902
Energy: 1.149931869103226
Energy: 1.6114019235190438
Energy: 1.1499318691064584
Energy: 1.5109985905641858
Energy: 1.0570098668317698
Energy: 1.635985132152177
Energy: 1.0570098668317698
Energy: 1.5105602988331734
Energy: 1.0573185873791582
Energy: 1.2459498136039697
Energy: 1.057318587377542
Energy: 1.6284885463247374
Energy: 1.0573420528297623
Energy: 1.2194534016945187
Energy: 1.0573420528313786
Energy: 1.7159561282127258
Energy: 1.0572863488387951
Energy: 1.3094122960145531
Energy: 1.0572863488355628
Energy: 1.7471333746105826
Energy: 1.058198831764002
Energy: 1.1752549084262722
Energy: 1.0581988317607698

minimum gb energy = 1.0567393908559628 eV
minimum distance =  2.30801212779136 Angstroms
sigma value = 9


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

Energy: 1.9233875808189045
Energy: 1.2501523099631828
Energy: 1.1016615165123727
Energy: 1.1007255419731747
Energy: 1.5764245572216138
Energy: 1.1011323455243673
Energy: 1.1009820088339417
Energy: 1.1011323455255289
Energy: 1.646474354337508
Energy: 1.100855359546935
Energy: 1.1000608484684218
Energy: 1.1008553595465407
Energy: 1.9252685604728967
Energy: 1.1009410604197862
Energy: 1.1011635222472467
Energy: 1.1009410604180552
Energy: 1.500933507962996
Energy: 1.1013325524539341
Energy: 1.100303982020807
Energy: 1.1013325524524007
Energy: 1.6096595433785463
Energy: 1.218117732076293
Energy: 1.3388770527991163
Energy: 1.2181177320768626
Energy: 1.6460891611446573
Energy: 1.2544590562179818
Energy: 1.0811560608129416
Energy: 1.2544590562175875
Energy: 1.4551009639877797
Energy: 1.3041246402895983
Energy: 1.4092774366466638
Energy: 1.3041246402899926
Energy: 1.3714432646078003
Energy: 1.2534961230389956
Energy: 1.3724492006773878
Energy: 1.2534961230401567
Energy: 1.4533729580011672
Energy: 1.2534961618540357
Energy: 1.6093551912708515
Energy: 1.2534961618538385
Energy: 1.1803243414112972
Energy: 1.1027852787934846
Energy: 1.5763718089646563
Energy: 1.1027852787950185
Energy: 1.0995870230426634
Energy: 1.1008384563721043
Energy: 1.576532138982692
Energy: 1.100838456375763
Energy: 1.1011951011127397
Energy: 1.1007365489586305
Energy: 1.6433774970331143
Energy: 1.1007365489584553
Energy: 1.2022497785575723
Energy: 1.0997434833624213
Energy: 1.6105478697850062
Energy: 1.0997434833647435
Energy: 1.2028060438592425
Energy: 1.1034323702643398
Energy: 1.5014832413304307
Energy: 1.1034323702639672
Energy: 1.3381721736609005
Energy: 1.2172326707011478
Energy: 1.610715957691965
Energy: 1.2172326707005565
Energy: 1.0807207193247486
Energy: 1.1016393213630036
Energy: 1.6484662802891978
Energy: 1.1016393213633757
Energy: 1.0810215737659046
Energy: 1.2542826000939193
Energy: 1.4535020504443088
Energy: 1.2542826000939193
Energy: 1.4081114747110426
Energy: 1.253588630398008
Energy: 1.512461330865967
Energy: 1.2535886303982051
Energy: 1.6411914959823561
Energy: 1.2173687664110737
Energy: 1.4537694661145384
Energy: 1.217368766411468
Energy: 1.5772723041298644
Energy: 1.1002335074363716
Energy: 1.337757990978433
Energy: 1.10023350743578

minimum gb energy = 1.0807207193247486 eV
minimum distance =  2.32622585365005 Angstroms
sigma value = 25


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

Energy: 1.7076130862879595
Energy: 1.2491600720762264
Energy: 1.1923020308831287
Energy: 1.1939587207256477
Energy: 1.4662566976130118
Energy: 1.21704323177661
Energy: 1.300072909213741
Energy: 1.2170432317761495
Energy: 1.5494789525572108
Energy: 1.1927790422069566
Energy: 1.1916113346891155
Energy: 1.1927790422072007
Energy: 1.531294088193354
Energy: 1.2052681443785944
Energy: 1.2039810059651492
Energy: 1.2052681443797864
Energy: 1.4441162802754293
Energy: 1.1922112536833445
Energy: 1.5622139886794686
Energy: 1.192211253683588
Energy: 1.558937525564374
Energy: 1.3010254924676123
Energy: 1.532415243770478
Energy: 1.3010254924681
Energy: 1.5609382522677513
Energy: 1.1922087386173086
Energy: 1.56305144522223
Energy: 1.1922087386180134
Energy: 1.2046475613610765
Energy: 1.2053700721897724
Energy: 1.563973115802903
Energy: 1.205370072188824
Energy: 1.2039239096735044
Energy: 1.1930526797208734
Energy: 1.5344473124357514
Energy: 1.1930526797194374
Energy: 1.2168571134996855
Energy: 1.1927253771916686
Energy: 1.534512919758515
Energy: 1.1927253771914248
Energy: 1.2031867299300463
Energy: 1.1962608881311831
Energy: 1.5281410039251981
Energy: 1.1962608881304788
Energy: 1.498885013229059
Energy: 1.1921741865295066
Energy: 1.5277276089743335
Energy: 1.1921741865285582
Energy: 1.3893123119785789
Energy: 1.1924982059303988
Energy: 1.5355081211287631
Energy: 1.1924982059313471
Energy: 1.3862038497940865
Energy: 1.3025783542548788
Energy: 1.3935058872029051
Energy: 1.302578354254418
Energy: 1.481552745642185
Energy: 1.3020070086539393
Energy: 1.4518579383531407
Energy: 1.3020070086563238
Energy: 1.5353142052743787
Energy: 1.2892514068540841
Energy: 1.4107276433404885
Energy: 1.2892514068547887
Energy: 1.4666258495866697
Energy: 1.2164051712634796
Energy: 1.3905472194127249
Energy: 1.2164051712629917

minimum gb energy = 1.1916113346891155 eV
minimum distance =  2.29841256679352 Angstroms
sigma value = 17


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

Energy: 1.7045784000562532
Energy: 1.227274379895388
Energy: 1.2173304681140726
Energy: 1.2178477046170846
Energy: 1.4437154434194266
Energy: 1.2184892940626753
Energy: 1.3882153062880005
Energy: 1.218489294065376
Energy: 1.4658757670354312
Energy: 1.2189181580642592
Energy: 1.2188076542382789
Energy: 1.2189181580669601
Energy: 1.4976545773338994
Energy: 1.2150383770571351
Energy: 1.2140672768036995
Energy: 1.2150383770584856
Energy: 1.5092640325130318
Energy: 1.3711491851701187
Energy: 1.558360242629177
Energy: 1.3711491851687685
Energy: 1.4826570209810872
Energy: 1.2174497596042733
Energy: 1.4583875592908153
Energy: 1.2174497596056237
Energy: 1.4527622828219129
Energy: 1.2167234090257852
Energy: 1.528483979280912
Energy: 1.2167234090244348
Energy: 1.2819958554076196
Energy: 1.315662164193213
Energy: 1.483290169248953
Energy: 1.3156621641945634
Energy: 1.2488534784010055
Energy: 1.2182122156240136
Energy: 1.4588897652836452
Energy: 1.2182122156213127
Energy: 1.2389206368321606
Energy: 1.2177634644233497
Energy: 1.4699311461486861
Energy: 1.2177634644219995
Energy: 1.275087972202849
Energy: 1.3361722000797234
Energy: 1.511510987930089
Energy: 1.3361722000797234
Energy: 1.474915886355766
Energy: 1.2844943701474782
Energy: 1.4675897279033716
Energy: 1.2844943701488285
Energy: 1.5303384172328518
Energy: 1.2398932689897701
Energy: 1.4553933508784749
Energy: 1.23989326898842
Energy: 1.5301087706912289
Energy: 1.3012544482778745
Energy: 1.2310731419143868
Energy: 1.3012544482751736
Energy: 1.4554925126739482
Energy: 1.2182250930194503
Energy: 1.2399797974039195
Energy: 1.2182250930194503
Energy: 1.4552682483846189
Energy: 1.2175782732829126
Energy: 1.269009453793372
Energy: 1.217578273280212
Energy: 1.544478710795471
Energy: 1.2312064907926223
Energy: 1.274482601289838
Energy: 1.231206490791272
Energy: 1.544223193973123
Energy: 1.3145175226222678
Energy: 1.448222098782307
Energy: 1.3145175226236183
Energy: 1.4555490043308326
Energy: 1.217333429027104
Energy: 1.4723215003809782
Energy: 1.2173334290284543
Energy: 1.24392561507011
Energy: 1.3711948807437195
Energy: 1.5187085306391135
Energy: 1.3711948807450698
Energy: 1.2138568731955568
Energy: 1.220170485719968
Energy: 1.4615681341187532
Energy: 1.220170485717267
Energy: 1.2424220215804063
Energy: 1.2189094420959536
Energy: 1.4594984125632715
Energy: 1.2189094420986542
Energy: 1.286309322802756
Energy: 1.2185264019682582
Energy: 1.4763903069743263
Energy: 1.2185264019655575
Energy: 1.2839396840637676
Energy: 1.219986954308855
Energy: 1.5138011391328212
Energy: 1.2199869543075046
Energy: 1.3609994631009201
Energy: 1.2190503661762844
Energy: 1.4738033214372812
Energy: 1.2190503661762844
Energy: 1.3419642679928399
Energy: 1.2180492300766694
Energy: 1.5137095807511411
Energy: 1.2180492300753192
Energy: 1.3534569389297515
Energy: 1.3372952245961287
Energy: 1.38324231198562
Energy: 1.3372952245907272
Energy: 1.465782507926568
Energy: 1.2180945087159192
Energy: 1.3415944767043761
Energy: 1.2180945087159192
Energy: 1.4661650258544907
Energy: 1.219049292445296
Energy: 1.4122310455495997
Energy: 1.219049292449347
Energy: 1.4814343326237351
Energy: 1.2215699721859226
Energy: 1.3837586720610693
Energy: 1.221569972188623

minimum gb energy = 1.2138568731955568 eV
minimum distance =  2.28730389833693 Angstroms
sigma value = 53


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

Energy: 1.096705037793508
Energy: 1.1310430387064294
Energy: 1.1310560973993098
Energy: 1.684085912301391
Energy: 1.099069807618262
Energy: 1.1495668008952011
Energy: 1.2522231764256058
Energy: 1.1495668008964377
Energy: 1.4381403429421806
Energy: 1.1643542879185558
Energy: 1.1282518043513698
Energy: 1.164354287917602
Energy: 1.3611202736432515
Energy: 1.1871285657563324
Energy: 1.25114658994992
Energy: 1.1871285657513513
Energy: 1.358370931884373
Energy: 1.1520693568808675
Energy: 1.2532988310939543
Energy: 1.1520693568802671
Energy: 1.300889557712098
Energy: 1.1877939224479501
Energy: 1.2525490876136964
Energy: 1.1877939224460778
Energy: 1.2535764447644673
Energy: 1.1876950268064421
Energy: 1.0991833807716616
Energy: 1.1876950268055235
Energy: 1.1325708792162335
Energy: 1.1533736875303877
Energy: 1.0994755018669335
Energy: 1.153373687532896
Energy: 1.1330432875127434
Energy: 1.1677402781415658
Energy: 1.4391786857949092
Energy: 1.167740278143438
Energy: 1.2531471953413216
Energy: 1.149006379307312
Energy: 1.3015816364829715
Energy: 1.1490063793067116
Energy: 1.131324810686008
Energy: 1.1508122091388562
Energy: 1.3588338725927696
Energy: 1.1508122091391386
Energy: 1.4398787763164445
Energy: 1.2600422604532677
Energy: 1.3014496886820643
Energy: 1.260042260451996
Energy: 1.0994442535243247
Energy: 1.1663957934886895
Energy: 1.2542485082508186
Energy: 1.166395793488089

minimum gb energy = 1.096705037793508 eV
minimum distance =  2.27828235990012 Angstroms
sigma value = 9


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

Energy: 1.7530973991874688
Energy: 1.3583195026026695
Energy: 1.8234674475532313
Energy: 1.4013023517897791
Energy: 1.4704512137676495
Energy: 1.3644328523613842
Energy: 1.3837053901234402
Energy: 1.3644328523625349
Energy: 1.3398906276764198
Energy: 1.3303937827395467
Energy: 1.3400412062527083
Energy: 1.330393782730342
Energy: 1.3435100823807573
Energy: 1.3279622994095783
Energy: 1.314573075565146
Energy: 1.3279622994084277
Energy: 1.3375866309995306
Energy: 1.3276711753751358
Energy: 1.3403146329983218
Energy: 1.3276711753751358
Energy: 1.380685231333177
Energy: 1.3675779600333096
Energy: 1.4986603405455123
Energy: 1.3675779600298579
Energy: 1.4435555452128408
Energy: 1.445018776029926
Energy: 1.7532707883069076
Energy: 1.4450188010246878
Energy: 1.4858512135748123
Energy: 1.3642617926968827
Energy: 1.7542455479510475
Energy: 1.3642617926980334
Energy: 1.4950655745093193
Energy: 1.3354864865854517
Energy: 1.3995033179233807
Energy: 1.335486486584301
Energy: 1.3654771517070867
Energy: 1.3804365018318137
Energy: 1.2892430093002982
Energy: 1.3804365018352656
Energy: 1.5558868115072315
Energy: 1.3311904808408082
Energy: 1.2606380193915396
Energy: 1.3311904808419586
Energy: 1.463210549711601
Energy: 1.3770047393135318
Energy: 1.3133628407871811
Energy: 1.3770047393146825
Energy: 1.7560400677700183
Energy: 1.4121480167089848
Energy: 1.3995242664316465
Energy: 1.4121480167078342
Energy: 1.7952132482880456
Energy: 1.3237505650582386
Energy: 1.4968393625327507
Energy: 1.3237505650536363
Energy: 1.5988328902078883
Energy: 1.3467863941492104
Energy: 1.6099154468212302
Energy: 1.3467863941515117
Energy: 1.4828902047830852
Energy: 1.415264569471683
Energy: 1.578222701642091
Energy: 1.4152645694693817
Energy: 1.2806716522603572
Energy: 1.2782360483334994
Energy: 1.6330446562459275
Energy: 1.2782360483334994
Energy: 1.2884991704187498
Energy: 1.3424925266521421
Energy: 1.646192179939416
Energy: 1.3424925266544432
Energy: 1.334643558319373
Energy: 1.3530484086126835
Energy: 1.758157595863487
Energy: 1.3530484086103822
Energy: 1.3085572847498688
Energy: 1.4037770859573393
Energy: 1.6384662310546882
Energy: 1.4037770859573393
Energy: 1.5823840496153097
Energy: 1.3404954439116872
Energy: 1.6131275558028182
Energy: 1.3404954439128378
Energy: 1.698115469586364
Energy: 1.406580208494302
Energy: 1.5217232829780336
Energy: 1.4065802084966035
Energy: 1.7224402327393002
Energy: 1.3752245508658314
Energy: 1.3238560400504786
Energy: 1.375224550866982
Energy: 1.605198815645417
Energy: 1.3406063361580876
Energy: 1.3226466372170262
Energy: 1.3406063361557865
Energy: 1.6892481224629974
Energy: 1.3363958971816827
Energy: 1.2788598228991321
Energy: 1.3363958971828334
Energy: 1.475617164486066
Energy: 1.4058258002778057
Energy: 1.278802338648196
Energy: 1.4058258002789563
Energy: 1.6419563431470328
Energy: 1.2803936370331703
Energy: 1.541087665524715
Energy: 1.2803936370274176
Energy: 1.6419530290284117
Energy: 1.4023422717693184
Energy: 1.6391494829971875
Energy: 1.4023422717693184
Energy: 1.336399366545394
Energy: 1.3378031777269994
Energy: 1.7282652420765081
Energy: 1.3378031930070386
Energy: 1.4113646580111854
Energy: 1.40060613385771
Energy: 1.7093314022174977
Energy: 1.40060613385771
Energy: 1.3034559684692928
Energy: 1.3291780973193408
Energy: 1.4945736745327067
Energy: 1.3291780973170397
Energy: 1.2880237629870825
Energy: 1.2623591675482309
Energy: 1.4854489782192841
Energy: 1.2623591675424777
Energy: 1.3950454658292346
Energy: 1.3820268684864747
Energy: 1.490658357459991
Energy: 1.382026868483023
Energy: 1.393414829827532
Energy: 1.331867718563295
Energy: 1.516972537817456
Energy: 1.3318677185598433
Energy: 1.6942381268736129
Energy: 1.4946817457998616
Energy: 1.5146505072697045
Energy: 1.4946817457687953

minimum gb energy = 1.2606380193915396 eV
minimum distance =  2.20706240482449 Angstroms
sigma value = 73


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

Energy: 1.7809911885520748
Energy: 1.3964752034455388
Energy: 1.4084888952705308
Energy: 1.4770196432211475
Energy: 1.59509782721761
Energy: 1.4172497939688184
Energy: 1.4285951135097277
Energy: 1.4172497939669928
Energy: 1.42498748044585
Energy: 1.3542396541330015
Energy: 1.421088167713692
Energy: 1.354239654132815
Energy: 1.389960110709821
Energy: 1.348906771680545
Energy: 1.3529051346904288
Energy: 1.348906771671604
Energy: 1.3871730307500492
Energy: 1.3553990097397195
Energy: 1.4236037126629408
Energy: 1.35539900973862
Energy: 1.4526934594810275
Energy: 1.3434424379966663
Energy: 1.5004728712682418
Energy: 1.3434424379946746
Energy: 1.5073820230107537
Energy: 1.5107574184851857
Energy: 1.79995392014027
Energy: 1.5107574184860986
Energy: 1.6567165947314992
Energy: 1.4208368172929964
Energy: 1.800075974705113
Energy: 1.420836817291918
Energy: 1.6051585460990643
Energy: 1.373272755195736
Energy: 1.5010354935895065
Energy: 1.3732727551942632
Energy: 1.4218822198731422
Energy: 1.4329746157140466
Energy: 1.3214972111362036
Energy: 1.4329746157133205
Energy: 1.6066088254401916
Energy: 1.3668174016699584
Energy: 1.2789148908414738
Energy: 1.3668174016705184
Energy: 1.6296690378085674
Energy: 1.4235561765597418
Energy: 1.3294190320140633
Energy: 1.4235561765590157
Energy: 1.564247764113653
Energy: 1.3458852910494676
Energy: 1.3462196621407645
Energy: 1.345885291050194
Energy: 1.567427226972779
Energy: 1.3344145075673672
Energy: 1.6723610433865563
Energy: 1.3344145075648155
Energy: 1.6351382963088952
Energy: 1.4047550000923452
Energy: 1.7008014976051622
Energy: 1.404755000093258
Energy: 1.6389090520878673
Energy: 1.3346956040096032
Energy: 1.702901601129156
Energy: 1.3346956040096032
Energy: 1.3462047391049972
Energy: 1.3871109346417527
Energy: 1.7059570064396707
Energy: 1.3871109346384545
Energy: 1.3413131499174211
Energy: 1.3958114923121017
Energy: 1.7229175984400105
Energy: 1.3958114923137404
Energy: 1.2837286245822215
Energy: 1.2813527041111297
Energy: 1.5961448767834883
Energy: 1.2813527041113162
Energy: 1.3220399775105438
Energy: 1.4333378313239324
Energy: 1.5801301400515482
Energy: 1.433337831325758
Energy: 1.5007775157144654
Energy: 1.3696991185918672
Energy: 1.5966198684569455
Energy: 1.3696991185924274
Energy: 1.6973149252604054
Energy: 1.4184495396161108
Energy: 1.6727898866011306
Energy: 1.4184495396157377

minimum gb energy = 1.2789148908414738 eV
minimum distance =  2.24378825628547 Angstroms
sigma value = 7


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

Energy: 2.4464758821363946
Energy: 1.3806790276274483
Energy: 1.5157653928582477
Energy: 1.5132828601077626
Energy: 1.846107520022617
Energy: 1.3745236498907265
Energy: 1.5024873412431645
Energy: 1.374523649889436
Energy: 1.410488612114073
Energy: 1.3481489795635753
Energy: 1.3790937339620015
Energy: 1.3481489795635753
Energy: 1.4254350485522127
Energy: 1.3594429037506366
Energy: 1.3818889106703405
Energy: 1.3594429037506366
Energy: 1.4343463860547025
Energy: 1.3582172985671115
Energy: 1.4820326401036288
Energy: 1.3582172985658207
Energy: 1.4594036278075186
Energy: 1.3893474710441303
Energy: 1.5778944652159954
Energy: 1.3893474710454212
Energy: 1.4619162423301522
Energy: 1.412499456284363
Energy: 1.6610246508512811
Energy: 1.4124994522213554
Energy: 1.64284729024463
Energy: 1.3805171014061146
Energy: 1.6638160426914637
Energy: 1.3805171013983697
Energy: 1.6462045098931983
Energy: 1.3088418183677957
Energy: 1.5785812719241636
Energy: 1.3088418183677957
Energy: 1.466595104280081
Energy: 1.3972683376636366
Energy: 1.3093664448896265
Energy: 1.3972683376675088
Energy: 1.6444029334708206
Energy: 1.3887118053999936
Energy: 1.3058852686623037
Energy: 1.3887118053999936
Energy: 1.6159533471051204
Energy: 1.3936692876078742
Energy: 1.3819625367689274
Energy: 1.3936692876065835
Energy: 1.67183635582959
Energy: 1.3110812974485981
Energy: 1.3605860901463656
Energy: 1.3110812974485981
Energy: 1.6722128661485802
Energy: 1.3956661452140429
Energy: 1.529523224919869
Energy: 1.3956661452153338
Energy: 1.729772398787118
Energy: 1.392159985887827
Energy: 1.5578631981652453
Energy: 1.3921599858891178
Energy: 1.6584767366226987
Energy: 1.379492476448189
Energy: 1.8475517678682494
Energy: 1.3794924764456074
Energy: 1.5027316856545518
Energy: 1.3742534244383648
Energy: 1.8457187846563206
Energy: 1.3742534244474005
Energy: 1.3778856920457525
Energy: 1.365058756294538
Energy: 1.4786388456719046
Energy: 1.3650587562971195
Energy: 1.3909349108544686
Energy: 1.3592840277146898
Energy: 1.4259419017940878
Energy: 1.3592840277108171
Energy: 1.4829711355592625
Energy: 1.3570755355683801
Energy: 1.3886070651191167
Energy: 1.3570755355645074
Energy: 1.5771281615683053
Energy: 1.3894505984858945
Energy: 1.4101649868219788
Energy: 1.3894505984858945
Energy: 1.661168287160191
Energy: 1.379992858823731
Energy: 1.4613632399815726
Energy: 1.3799928588108226
Energy: 1.6607554941788387
Energy: 1.4622390734169433
Energy: 1.6452970192705136
Energy: 1.4622390734182342
Energy: 1.5912737458429576
Energy: 1.3883466101946722
Energy: 1.6930948813357631
Energy: 1.3883466101946722
Energy: 1.532368948211107
Energy: 1.3970987717342975
Energy: 1.465226730318337
Energy: 1.39709877173817
Energy: 1.3080484259448977
Energy: 1.3103452346141076
Energy: 1.464302394133023
Energy: 1.3103452346153983
Energy: 1.295729256864589
Energy: 1.4525880889178588
Energy: 1.5734271075176234
Energy: 1.452588088916568
Energy: 1.3076333102465636
Energy: 1.3099478638732556
Energy: 1.671128287108117
Energy: 1.3099478638745465
Energy: 1.3094332841080412
Energy: 1.396450929857153
Energy: 1.672166830434861
Energy: 1.3964509298597347
Energy: 1.5575267364758407
Energy: 1.3897207198222086
Energy: 1.6802482196219333
Energy: 1.3897207198196269
Energy: 1.8454139743196447
Energy: 1.3763238657736485
Energy: 1.7311513241266174
Energy: 1.3763238657736485

minimum gb energy = 1.295729256864589 eV
minimum distance =  2.24021549415023 Angstroms
sigma value = 29


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

Energy: 1.7188907595974297
Energy: 1.3504138240251327
Energy: 1.3723574186212906
Energy: 1.4428405964053221
Energy: 1.5017813694842579
Energy: 1.3061999593288074
Energy: 1.5025706512881134
Energy: 1.3061999593292322
Energy: 1.4039232555801453
Energy: 1.3098449675893489
Energy: 1.3720655518367004
Energy: 1.3098449675893489
Energy: 1.3746648646492083
Energy: 1.307993498081795
Energy: 1.194852331081835
Energy: 1.3079934980809211
Energy: 1.3738346067838998
Energy: 1.3244255383034094
Energy: 1.3644973627393948
Energy: 1.3244255383034094
Energy: 1.3688920532149549
Energy: 1.3118998068705439
Energy: 1.4352880288135854
Energy: 1.3118998068692196
Energy: 1.5022895217721521
Energy: 1.498100436440094
Energy: 1.351505013692441
Energy: 1.498100436440544
Energy: 1.505580048411937
Energy: 1.3066836490240001
Energy: 1.4349027674478627
Energy: 1.3066836490235503
Energy: 1.4995675110303077
Energy: 1.3081583282053106
Energy: 1.5439880116202944
Energy: 1.3081583282053106

minimum gb energy = 1.194852331081835 eV
minimum distance =  2.29621453669164 Angstroms
sigma value = 5


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

Energy: 1.6974361830503653
Energy: 1.6836308437151606
Energy: 1.6867241697804798
Energy: 1.687026262290011
Energy: 1.2830306173692492
Energy: 1.3287464038772152
Energy: 1.5119792478654597
Energy: 1.3287464038820924
Energy: 1.2802688567214997
Energy: 1.287117351431904
Energy: 1.5829877443420477
Energy: 1.2871173523143218
Energy: 1.2777894796880065
Energy: 1.2838786846787749
Energy: 1.509143713415164
Energy: 1.2838786845386057
Energy: 1.2824998221899508
Energy: 1.2924756223411036
Energy: 1.5199250583014807
Energy: 1.2924756223276908
Energy: 1.2972868783637834
Energy: 1.3119134381791018
Energy: 1.4781515933029186
Energy: 1.311913438176663
Energy: 1.2934583297462083
Energy: 1.3659886057035702
Energy: 1.448643158808216
Energy: 1.3659886057060089
Energy: 1.296871761298652
Energy: 1.3087596445978558
Energy: 1.4454484755840689
Energy: 1.3087596445966363
Energy: 1.4033969476403005
Energy: 1.3095007805493644
Energy: 1.3824357582003854
Energy: 1.3095007805469256
Energy: 1.5767446949080273
Energy: 1.4487107593560136
Energy: 1.6050561489008084
Energy: 1.44871075936333
Energy: 1.2949594511228169
Energy: 1.3308153971752532
Energy: 1.4004827166813836
Energy: 1.3308153971837886
Energy: 1.6113584033123711
Energy: 1.310481604427165
Energy: 1.6447250606511867
Energy: 1.3104816044210683
Energy: 1.5007501970694748
Energy: 1.4429717067251124
Energy: 1.6473576928892653
Energy: 1.4429717067202352
Energy: 1.4515678709844675
Energy: 1.3982253287879376
Energy: 1.2956170491958872
Energy: 1.398225328789157
Energy: 1.4478546450673062
Energy: 1.3293913211307424
Energy: 1.295245156363258
Energy: 1.329391321125865
Energy: 1.4479977299434201
Energy: 1.3099050006022082
Energy: 1.294519367047881
Energy: 1.30990500059855
Energy: 1.4802534929358362
Energy: 1.3868319420684143
Energy: 1.3019167910724794
Energy: 1.3868319420659756
Energy: 1.5815175703802329
Energy: 1.2839720997341388
Energy: 1.2755064861449272
Energy: 1.2839720997365776
Energy: 1.5817825546005666
Energy: 1.3413823559330562
Energy: 1.2766436206467102
Energy: 1.341382355935495
Energy: 1.6057754716852404
Energy: 1.2878856523622235
Energy: 1.2776815730215683
Energy: 1.287885652364662
Energy: 1.6065270140133885
Energy: 1.3220168415547986
Energy: 1.4914843381433338
Energy: 1.3220168415535791
Energy: 1.705893771098535
Energy: 1.4202991745004123
Energy: 1.496375998620326
Energy: 1.4202991745016313
Energy: 1.51183956711715
Energy: 1.2920253536081723
Energy: 1.279313422416488
Energy: 1.2920253536081723
Energy: 1.6489590496181572
Energy: 1.3325465806063979
Energy: 1.3831115548290207
Energy: 1.3325465806076173
Energy: 1.648766179660246
Energy: 1.2849050416874634
Energy: 1.3301149948341848
Energy: 1.2849050419263441
Energy: 1.3691698866810664
Energy: 1.337203611962277
Energy: 1.373385685865827
Energy: 1.337203611962277
Energy: 1.3422281318554907
Energy: 1.3338962078585772
Energy: 1.3446129829463118
Energy: 1.3338962078561385
Energy: 1.3447513947065108
Energy: 1.3292875842203702
Energy: 1.3431143403925494
Energy: 1.3292875842215894
Energy: 1.3662382180427255
Energy: 1.386963766188752
Energy: 1.3688399755067293
Energy: 1.3869637661826553
Energy: 1.33221228027915
Energy: 1.3315062978443564
Energy: 1.5786212504905786
Energy: 1.3315062978467949
Energy: 1.3825908269242333
Energy: 1.3322444490999334
Energy: 1.5782724380105568
Energy: 1.3322444490999334
Energy: 1.2795256240702115
Energy: 1.3002404908944838
Energy: 1.454723909702375
Energy: 1.3002404908932643
Energy: 1.3000727147335625
Energy: 1.5391443935677023
Energy: 1.7214539348849034
Energy: 1.5391443935677023

minimum gb energy = 1.2755064861449272 eV
minimum distance =  2.20847608140418 Angstroms
sigma value = 1


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

Energy: 2.0536385771744703
Energy: 1.3943103077509347
Energy: 1.5195471200077548
Energy: 1.522523316046834
Energy: 1.2681328424543485
Energy: 1.2600300142823366
Energy: 1.2526678199222654
Energy: 1.2600300142806504
Energy: 1.263694257542521
Energy: 1.2559594696612415
Energy: 1.4607285967328034
Energy: 1.2559594696612415
Energy: 1.2513687501037207
Energy: 1.2692989293790884
Energy: 1.2686671540182806
Energy: 1.2692989293841461
Energy: 1.260744298534901
Energy: 1.2682813578060916
Energy: 1.3182215925646028
Energy: 1.2682813578044057
Energy: 1.2599680504372743
Energy: 1.270513244904088
Energy: 1.324025816768365
Energy: 1.270513244904088
Energy: 1.253678212944239
Energy: 1.270560079317331
Energy: 1.4620415499373591
Energy: 1.2705600793189786
Energy: 1.2578652057179192
Energy: 1.2562214837435217
Energy: 1.4594360176616858
Energy: 1.2562214837435217
Energy: 1.2579518624707582
Energy: 1.2579065010523984
Energy: 1.2530783294343344
Energy: 1.2579065010591424
Energy: 1.4485162220049956
Energy: 1.500556867546415
Energy: 1.2564595809047698
Energy: 1.5005568679592804
Energy: 1.2578593884482898
Energy: 1.3957620699046245
Energy: 1.2552198214532413
Energy: 1.3957620699029385
Energy: 1.2564394413594322
Energy: 1.2565117542929196
Energy: 1.6278101282180557
Energy: 1.2565117542929196
Energy: 1.2516372165681722
Energy: 1.2597679118046696
Energy: 1.627706115111082
Energy: 1.2597679118097276
Energy: 1.2569382791995976
Energy: 1.3302392598497275
Energy: 1.2572304962610488
Energy: 1.3302392598480417
Energy: 1.2686938421723235
Energy: 1.2594389330003843
Energy: 1.2552023792112597
Energy: 1.2594389330003843
Energy: 1.267542682967498
Energy: 1.2554043113145805
Energy: 1.2520992666965947
Energy: 1.2554043113145805
Energy: 1.314982721695456
Energy: 1.263246818745183
Energy: 1.255329297216957
Energy: 1.2632468187434973
Energy: 1.4599647092404822
Energy: 1.2556612998250478
Energy: 1.2516136939717804
Energy: 1.2556612998233618
Energy: 1.4613673651637238
Energy: 1.2708909764386207
Energy: 1.2574980457534335
Energy: 1.2708909764386207
Energy: 1.2556133028490322
Energy: 1.2608528257796088
Energy: 1.2582124194765212
Energy: 1.2608528257796088
Energy: 1.2523462594693626
Energy: 1.2569725890494996
Energy: 1.448310291281345
Energy: 1.2569725890494996
Energy: 1.2632125227863729
Energy: 1.2582185316862093
Energy: 1.4483966080858168
Energy: 1.2582185316677026
Energy: 1.2575268339225485
Energy: 1.3301315164127196
Energy: 1.2571356325463245
Energy: 1.3301315164127196
Energy: 1.6279708397642776
Energy: 1.2619100893336714
Energy: 1.257385889754046
Energy: 1.2619100893336714

minimum gb energy = 1.2513687501037207 eV
minimum distance =  2.22244266759317 Angstroms
sigma value = 17


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

Energy: 1.9396587248656463
Energy: 1.6559963231887083
Energy: 1.8101367492161797
Energy: 1.7391080686054796
Energy: 1.2499676019983261
Energy: 1.278616221661965
Energy: 1.3136346524734637
Energy: 1.2786162216640493
Energy: 1.2495041393222397
Energy: 1.254644581454801
Energy: 1.5522015808825829
Energy: 1.2546445814693896
Energy: 1.2494120126108992
Energy: 1.2521628469036874
Energy: 1.5483640892922452
Energy: 1.2521628469016035
Energy: 1.2538539593753852
Energy: 1.3103322084943216
Energy: 1.4051794872478278
Energy: 1.3103322084943216
Energy: 1.3118933464389906
Energy: 1.2788837039275374
Energy: 1.3119321149039236
Energy: 1.2788837039285794
Energy: 1.3157211038624175
Energy: 1.2798827730504945
Energy: 1.3089110840628793
Energy: 1.2798827730546627
Energy: 1.3340169163663311
Energy: 1.2834395040027473
Energy: 1.3091942161995127
Energy: 1.2834395040027473
Energy: 1.4056728009993051
Energy: 1.251835075590306
Energy: 1.2526218978471912
Energy: 1.2518350755559182
Energy: 1.4932596910658766
Energy: 1.2537063474523997
Energy: 1.2474085730397384
Energy: 1.2537063474482317
Energy: 1.496373008760907
Energy: 1.2539862465148381
Energy: 1.2512379226755825
Energy: 1.2539862465190064
Energy: 1.310107970267572
Energy: 1.278043457279251
Energy: 1.2777210200193811
Energy: 1.278043457280293
Energy: 1.772905067054938
Energy: 1.3842278141350481
Energy: 1.2780663812312962
Energy: 1.3842278141485946
Energy: 1.2817700469744604
Energy: 1.3680842787251577
Energy: 1.251980918948722
Energy: 1.3680842787220315
Energy: 1.5465307736294591
Energy: 1.252319119655947
Energy: 1.3544600206304054
Energy: 1.252319119660115
Energy: 1.2821544099986917
Energy: 1.2515764613579785
Energy: 1.3425941167382758
Energy: 1.2515764613965346
Energy: 1.280148657264478
Energy: 1.277196817642504
Energy: 1.4100779833058033
Energy: 1.2771968176414619
Energy: 1.2810389279009726
Energy: 1.2816499957134126
Energy: 1.3880288783384493
Energy: 1.2816499957123706
Energy: 1.2791287291495923
Energy: 1.275726935698781
Energy: 1.3862999042281816
Energy: 1.275726935698781
Energy: 1.3305265261660535
Energy: 1.3581154326961689
Energy: 1.5051026880736902
Energy: 1.3581154326951266
Energy: 1.2615046989536263
Energy: 1.2661594534880432
Energy: 1.4949825216151698
Energy: 1.2661594534860061
Energy: 1.2605979839172645
Energy: 1.2666539732722182
Energy: 1.4950132443786353
Energy: 1.2666539732722182
Energy: 1.2660425223192906
Energy: 1.3785505249374368
Energy: 1.3208322511919628
Energy: 1.378550524940563
Energy: 1.5809031541325875
Energy: 1.3409901959767536
Energy: 1.5124231291862684
Energy: 1.3409901959965524
Energy: 1.2834721423843853
Energy: 1.2669650573199847
Energy: 1.400792214040428
Energy: 1.2669650573199847
Energy: 1.2604405505226117
Energy: 1.26695644371308
Energy: 1.2613437905095095
Energy: 1.2669564437182899
Energy: 1.5946527816325031
Energy: 1.5667321260854
Energy: 1.6120202153968386
Energy: 1.566732126069769
Energy: 1.3189707447099521
Energy: 1.2666197637361845
Energy: 1.2737579342249035
Energy: 1.2666197637393106
Energy: 1.4982442874423147
Energy: 1.2668586831863862
Energy: 1.2610242160391125
Energy: 1.2668586831801338
Energy: 1.438155799377464
Energy: 1.2669363159891196
Energy: 1.2610872799588175
Energy: 1.2669363159901617
Energy: 1.4724280103485774
Energy: 1.267962272771393
Energy: 1.2626231153759075
Energy: 1.2679622727724351
Energy: 1.4226002643586835
Energy: 1.282500670564006
Energy: 1.2755790996075904
Energy: 1.282500670562964
Energy: 1.3875976386032463
Energy: 1.2802348390373948
Energy: 1.2765566231276835
Energy: 1.2802348390384366
Energy: 1.387288259679031
Energy: 1.2758328280963869
Energy: 1.2766357976363034
Energy: 1.275832828098471
Energy: 1.276787502551987
Energy: 1.2524213361850873
Energy: 1.2819915437799096
Energy: 1.2524213361913394
Energy: 1.3439709872665804
Energy: 1.363791399822094
Energy: 1.5838109646911829
Energy: 1.3637913998262619
Energy: 1.251078535667026
Energy: 1.253031585789377
Energy: 1.2835188029393287
Energy: 1.2530315857914613
Energy: 1.2707693405382015
Energy: 1.2791107729218147
Energy: 1.275266389386444
Energy: 1.2791107729207725

minimum gb energy = 1.2474085730397384 eV
minimum distance =  2.21405363894558 Angstroms
sigma value = 89


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

Energy: 2.2192726226828974
Energy: 1.206445233607825
Energy: 1.4658466530633067
Energy: 1.4662096903809365
Energy: 1.2115177818357499
Energy: 1.2138608079399908
Energy: 1.211966020026476
Energy: 1.2138608079399908
Energy: 1.2077122098218223
Energy: 1.2132436449638972
Energy: 1.3360523366008836
Energy: 1.213243644963092
Energy: 1.211583120500707
Energy: 1.2134926632341334
Energy: 1.336126133884667
Energy: 1.2134926632338852
Energy: 1.207923855288547
Energy: 1.2302718051587804
Energy: 1.332922318741809
Energy: 1.2302718051598647
Energy: 1.2770532373377843
Energy: 1.2138251722828515
Energy: 1.277700519527106
Energy: 1.213825172282015
Energy: 1.2834140550270032
Energy: 1.2131677492986073
Energy: 1.2779786885888675
Energy: 1.2131677492986073
Energy: 1.328646915825639
Energy: 1.215077291659768
Energy: 1.276321863565929
Energy: 1.2150772916608525
Energy: 1.3138068097212077
Energy: 1.2135241911627963
Energy: 1.2056566114894682
Energy: 1.213524191163323
Energy: 1.311997475542047
Energy: 1.2136996637311086
Energy: 1.2074470208377286
Energy: 1.2136996637313875
Energy: 1.3133189230632742
Energy: 1.21391463440176
Energy: 1.2084429352623056
Energy: 1.21391463440176
Energy: 1.212337607083365
Energy: 1.2132560562791792
Energy: 1.3088759585772798
Energy: 1.2132560562644619
Energy: 1.2128379087058043
Energy: 1.2116817903662367
Energy: 1.3085349150571761
Energy: 1.2116817901697403
Energy: 1.2126990177048524
Energy: 1.3120514860294177
Energy: 1.2137938006147013
Energy: 1.3120514860310597
Energy: 1.2164886495655391
Energy: 1.2133957528613155
Energy: 1.2134747417156786
Energy: 1.2133957528605102

minimum gb energy = 1.2056566114894682 eV
minimum distance =  2.23043379410142 Angstroms
sigma value = 13


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

Energy: 1.4132681747052704
Energy: 1.279835059475388
Energy: 1.4570461366015623
Energy: 1.4068924244193985
Energy: 1.1723970261795962
Energy: 1.179831647837329
Energy: 1.1788766888070672
Energy: 1.1798316478396145
Energy: 1.1763975903918316
Energy: 1.1772617350279744
Energy: 1.3786275167693351
Energy: 1.1772617350268315
Energy: 1.174452517838506
Energy: 1.1767253379414373
Energy: 1.3752421064868399
Energy: 1.176725337936866
Energy: 1.1785791660861433
Energy: 1.1855347782450596
Energy: 1.2596415056123136
Energy: 1.1855347782450596
Energy: 1.3100759755218847
Energy: 1.1573384696145501
Energy: 1.2088892284422756
Energy: 1.1573384696134073
Energy: 1.3063766372545738
Energy: 1.1561602281878192
Energy: 1.2061591806029772
Energy: 1.1561602281889618
Energy: 1.3351015515419606
Energy: 1.158049797311333
Energy: 1.2079884248970636
Energy: 1.1580497973090476
Energy: 1.3061178735254113
Energy: 1.1589198275812755
Energy: 1.2066898029887962
Energy: 1.1589198275801327
Energy: 1.3064005476399785
Energy: 1.1580752455944978
Energy: 1.2032805254364438
Energy: 1.158075245593355
Energy: 1.2823625929628608
Energy: 1.1618272946127384
Energy: 1.260558532024618
Energy: 1.16182729460931
Energy: 1.1761566476979473
Energy: 1.17639480824711
Energy: 1.2937381589644021
Energy: 1.176394808248253
Energy: 1.1764207831318587
Energy: 1.1763631617985402
Energy: 1.2933194948044562
Energy: 1.1763631617973973
Energy: 1.1765231636790947
Energy: 1.1841777986120339
Energy: 1.2969171734607887
Energy: 1.1841777986143194
Energy: 1.2907406204578924
Energy: 1.1849686634349634
Energy: 1.1778608500411532
Energy: 1.1849686634349634
Energy: 1.2907099496570111
Energy: 1.1765987695407758
Energy: 1.1774710259754049
Energy: 1.1765987695418667
Energy: 1.1767705136977298
Energy: 1.181857388182934
Energy: 1.176716155939077
Energy: 1.181857388188648
Energy: 1.180897465189028
Energy: 1.177562370554439
Energy: 1.3732648790577142
Energy: 1.177562370554439
Energy: 1.1785064909588991
Energy: 1.1779386388924966
Energy: 1.1724786954283457
Energy: 1.1779386388947823
Energy: 1.2930061366281955
Energy: 1.17990265987121
Energy: 1.1777605154676545
Energy: 1.1799026598084086
Energy: 1.3745795445804607
Energy: 1.179523468253309
Energy: 1.1763676361169624
Energy: 1.17952346825788
Energy: 1.2597076021691203
Energy: 1.1805805160442668
Energy: 1.1792618890851947
Energy: 1.1805805160431242
Energy: 1.20510948718051
Energy: 1.1574622919324085
Energy: 1.3061154677991413
Energy: 1.1574622919324085
Energy: 1.2089785007498839
Energy: 1.1574248977901198
Energy: 1.2309249429511107
Energy: 1.1574248977901198
Energy: 1.2052128601910594
Energy: 1.1621472514613709
Energy: 1.2911691074371208
Energy: 1.1621472514625135
Energy: 1.2045774641082738
Energy: 1.1615918632325772
Energy: 1.292078711671504
Energy: 1.1615918632314344
Energy: 1.2149490233204994
Energy: 1.1602461477632224
Energy: 1.3060335274814394
Energy: 1.1602461477632224
Energy: 1.2606524360701525
Energy: 1.1604090263800582
Energy: 1.3041456298631273
Energy: 1.1604090263800582
Energy: 1.2603152397877435
Energy: 1.1783301471667833
Energy: 1.176895524323724
Energy: 1.1783301471667833
Energy: 1.3026043023084526
Energy: 1.17751737069526
Energy: 1.1799806122213519
Energy: 1.17751737069526
Energy: 1.292934237476033
Energy: 1.1821195849710944
Energy: 1.177968874929223
Energy: 1.1821195849699515
Energy: 1.179922759527236
Energy: 1.1768113647179352
Energy: 1.290356505329239
Energy: 1.1768113647179352
Energy: 1.1774005030761259
Energy: 1.184465846550296
Energy: 1.2906660070709528
Energy: 1.1844658465525817
Energy: 1.176292413300217
Energy: 1.1799656170311932
Energy: 1.1766992385075423
Energy: 1.1799656170346216
Energy: 1.1733144972162277
Energy: 1.176610403061322
Energy: 1.1773132275166096
Energy: 1.1766104030624647

minimum gb energy = 1.1561602281878192 eV
minimum distance =  2.23191570351718 Angstroms
sigma value = 37


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

Energy: 1.4442167326221702
Energy: 1.1384570864961736
Energy: 1.386386485237556
Energy: 1.3861357679602075
Energy: 1.1168376462927103
Energy: 1.1326527661236439
Energy: 1.1301249755101026
Energy: 1.1326527661230406
Energy: 1.1292433197751512
Energy: 1.1338410542902622
Energy: 1.3719150110794767
Energy: 1.1338410542891002
Energy: 1.1277288626738358
Energy: 1.1331880798410308
Energy: 1.371916538329538
Energy: 1.1331880798418128
Energy: 1.2577641478507267
Energy: 1.157396886430592
Energy: 1.1912581697327722
Energy: 1.1573968864292292
Energy: 1.3075744667376992
Energy: 1.0988703109462528
Energy: 1.144648214964907
Energy: 1.0988703109480178
Energy: 1.232781356785911
Energy: 1.0983651516976798
Energy: 1.1403001022306372
Energy: 1.0983651516990651
Energy: 1.262337052823919
Energy: 1.2558095064139245
Energy: 1.1452322131193025
Energy: 1.2558095064139245
Energy: 1.2014458048573402
Energy: 1.077261611827775
Energy: 1.1987132762027464
Energy: 1.077261611826792
Energy: 1.1983641658030526
Energy: 1.0766615378098425
Energy: 1.202044034952674
Energy: 1.0766615378104236
Energy: 1.199995099977089
Energy: 1.1987421289585127
Energy: 1.261899091260715
Energy: 1.1987421289585127
Energy: 1.1405727252947504
Energy: 1.0989974328835406
Energy: 1.3084365295758595
Energy: 1.0989974328827585
Energy: 1.1442193287351434
Energy: 1.0984118294082148
Energy: 1.3083705419081355
Energy: 1.0984118294074328
Energy: 1.1922009378880747
Energy: 1.1041550929823782
Energy: 1.257459776970073
Energy: 1.1041550929747148
Energy: 1.3009992739761471
Energy: 1.132373841261706
Energy: 1.1290845387446673
Energy: 1.1323738412605442
Energy: 1.2111051662465044
Energy: 1.132886768719152
Energy: 1.1294276009137107
Energy: 1.1328867687201352
Energy: 1.2687811320976232
Energy: 1.1921944459478024
Energy: 1.129488708687392
Energy: 1.192194445944652
Energy: 1.129727495571679
Energy: 1.141621216586123
Energy: 1.2625991972004906
Energy: 1.141621216586123
Energy: 1.1294305351516039
Energy: 1.133494351473564
Energy: 1.2630502152323617
Energy: 1.133494351474346
Energy: 1.1291970379330762
Energy: 1.1327921954700997
Energy: 1.1298530731361252
Energy: 1.1327921954696976

minimum gb energy = 1.0766615378098425 eV
minimum distance =  2.22985652296906 Angstroms
sigma value = 25


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

Energy: 1.4107756121413941
Energy: 1.1138700458778341
Energy: 1.2524603960045009
Energy: 1.2789856997583995
Energy: 1.0361661618530318
Energy: 1.0514529671392818
Energy: 1.0493361616630543
Energy: 1.0514529671362116
Energy: 1.0494685149775165
Energy: 1.0542719925382626
Energy: 1.0972079677426325
Energy: 1.0542719925397983
Energy: 1.0485249954630287
Energy: 1.0528129285406183
Energy: 1.032793481101698
Energy: 1.052812928539083
Energy: 1.0856631482527621
Energy: 1.0492953570154544
Energy: 1.0893110095626464
Energy: 1.0492953570261667
Energy: 1.0352692236000953
Energy: 1.017622725769162
Energy: 1.0479101000741462
Energy: 1.0176227257706625
Energy: 1.036116050924086
Energy: 1.0172323694834258
Energy: 1.0498588401382454
Energy: 1.0172323694849612
Energy: 1.1356394866455948
Energy: 1.0739722437124395
Energy: 1.070045236961073
Energy: 1.0739722427977882
Energy: 1.078157341991373
Energy: 0.9825378500721221
Energy: 1.1094654394729828
Energy: 0.9825378500736576
Energy: 1.0774396399209916
Energy: 0.9809496553576661
Energy: 1.1128988848166046
Energy: 0.9809496553576661
Energy: 1.1231422968030598
Energy: 1.1591796286262672
Energy: 1.1475649515077506
Energy: 1.1591796286247322
Energy: 1.1274585190310817
Energy: 0.9694270719817487
Energy: 1.1301572771148045
Energy: 0.969427071983284
Energy: 1.1299205576476572
Energy: 0.9722885446156354
Energy: 1.1277350990325967
Energy: 0.9722885446156354
Energy: 1.1472282292209892
Energy: 0.983163626157527
Energy: 1.0951374072581834
Energy: 0.9831636261559916
Energy: 1.109513251425808
Energy: 0.9822519006784011
Energy: 1.0776027791826668
Energy: 0.9822519006799363
Energy: 1.111012134630752
Energy: 0.980867558568403
Energy: 1.0812740709050042
Energy: 0.980867558568403
Energy: 1.05349683316583
Energy: 1.024250240924295
Energy: 1.1362369825488103
Energy: 1.0242502409227596
Energy: 1.0501413733937057
Energy: 1.0171991178951092
Energy: 1.1075101735042108
Energy: 1.0171991178951092
Energy: 1.047801046122407
Energy: 1.0181634469242429
Energy: 1.0487569167525506
Energy: 1.0181634469227074
Energy: 1.0899282269084132
Energy: 1.0577437956567175
Energy: 1.0494715856102017
Energy: 1.0577437956582527
Energy: 1.0862679798762735
Energy: 1.054965251642362
Energy: 1.049631379115522
Energy: 1.0549652516438972
Energy: 1.0898256458133242
Energy: 1.053792327198368
Energy: 1.0490314099073668
Energy: 1.053792327198368
Energy: 1.049394987294194
Energy: 1.054881716854202
Energy: 1.044838518204876
Energy: 1.0548817168557372
Energy: 1.049128416730151
Energy: 1.055635497272712
Energy: 1.0446588651715127
Energy: 1.055635497272712
Energy: 1.0499558846019972
Energy: 1.0578082256539052
Energy: 1.0493666100401364
Energy: 1.057808225623199
Energy: 1.052886615920156
Energy: 1.0539287167817142
Energy: 1.0490844104569064
Energy: 1.053928716780179

minimum gb energy = 0.9694270719817487 eV
minimum distance =  2.24501927927347 Angstroms
sigma value = 41


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

Energy: 1.174472926357106
Energy: 1.029766012272192
Energy: 1.1422082364373856
Energy: 1.163572662898107
Energy: 0.9665919810366339
Energy: 0.9782211076871165
Energy: 0.9722088970252589
Energy: 0.9782211077059969
Energy: 0.9774425619357978
Energy: 0.9827072995976195
Energy: 0.9818649181144823
Energy: 0.9827072995951023
Energy: 0.9790534068854705
Energy: 0.9810394639337894
Energy: 0.9626512180001261
Energy: 0.9810394639312718
Energy: 0.9726232506102087
Energy: 0.9503612686108656
Energy: 0.9714084040744162
Energy: 0.9503612686435915
Energy: 0.9696691174745221
Energy: 0.9483454236855198
Energy: 0.9713902010087647
Energy: 0.9483454236842611
Energy: 0.9655779104584046
Energy: 0.9492636163339204
Energy: 0.9725324267152229
Energy: 0.9492636163389552
Energy: 1.0112781115036285
Energy: 1.0301324362047242
Energy: 0.9903067564696713
Energy: 1.0301324362072415
Energy: 0.9895882319259736
Energy: 0.9125537908313671
Energy: 1.009484450960738
Energy: 0.9125537908338844
Energy: 0.9886797492748948
Energy: 0.9122478523330559
Energy: 1.0090307895684325
Energy: 0.9122478523343147
Energy: 1.0118792158131757
Energy: 0.989242466397521
Energy: 1.049197008239954
Energy: 0.9892424664063318
Energy: 1.0596988042889248
Energy: 0.8926417449433808
Energy: 1.0195115643342483
Energy: 0.8926417449408635
Energy: 1.079503669509721
Energy: 0.8944510337615884
Energy: 1.0233784986512182
Energy: 0.8944510337666232
Energy: 1.0594814200526927
Energy: 0.8860784938414414
Energy: 1.055156845692806
Energy: 0.8860784938427
Energy: 1.0626440675118223
Energy: 0.8878352022101832
Energy: 1.0628549903762934
Energy: 0.8878352022089245
Energy: 1.0652495467145924
Energy: 0.886336755415043
Energy: 1.052912870459934
Energy: 0.8863367554225952
Energy: 1.0263697229470128
Energy: 0.8951969467694697
Energy: 1.0593232738153864
Energy: 0.8951969467682109
Energy: 1.0192227903088078
Energy: 0.8926800933572444
Energy: 1.0554973700244483
Energy: 0.8926800933585031
Energy: 1.0304842664995184
Energy: 0.893671358521346
Energy: 1.0580916516444294
Energy: 0.8936713585226048
Energy: 1.0517891957248382
Energy: 0.9129200750581413
Energy: 1.0075918532371146
Energy: 0.9129200750556239
Energy: 0.992144853965913
Energy: 0.9128892843091847
Energy: 0.9884908032036721
Energy: 0.912889284307926
Energy: 0.9774309763720694
Energy: 0.9148649347888551
Energy: 1.0120002876796552
Energy: 0.9148649347888551
Energy: 0.9734337232788414
Energy: 0.949730064214229
Energy: 1.0114591183467456
Energy: 0.9497300642104528
Energy: 0.9719283515362539
Energy: 0.9484461105853537
Energy: 0.9875384968910106
Energy: 0.9484461105853537
Energy: 0.972568516985407
Energy: 0.9498723597937001
Energy: 0.9774046205836553
Energy: 0.9498723597874066
Energy: 0.9746031771753734
Energy: 0.9816518048860498
Energy: 0.9791034981129711
Energy: 0.9816518048885672
Energy: 0.9749560996089529
Energy: 0.9806859830489214
Energy: 0.9777289860696555
Energy: 0.9806859830501801
Energy: 0.9716847708097467
Energy: 0.9802035035136121
Energy: 0.9783775459849866
Energy: 0.9802035035086061
Energy: 0.9800852081555723
Energy: 0.9808543584295549
Energy: 0.9974086873285204
Energy: 0.9808543584308135
Energy: 0.9773487225756945
Energy: 0.9812732040363126
Energy: 0.9974636342026209
Energy: 0.9812732040375713
Energy: 0.9786703937240416
Energy: 0.9819802060486253
Energy: 0.978142637514781
Energy: 0.9819802060410733
Energy: 0.9832599734529632
Energy: 0.9809041528427627
Energy: 0.980502301940589
Energy: 0.9809041528402452

minimum gb energy = 0.8860784938414414 eV
minimum distance =  2.23542296124592 Angstroms
sigma value = 15


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

Energy: 1.0746841184774927
Energy: 0.9597070525108969
Energy: 1.054358493647104
Energy: 1.0735952315250934
Energy: 0.9055837471944775
Energy: 0.8916425324295831
Energy: 0.9099968531697247
Energy: 0.8916425324285169
Energy: 0.9162137920514555
Energy: 0.9205999470561825
Energy: 0.9094380416883125
Energy: 0.9205999470583152
Energy: 0.915795717344956
Energy: 0.9186724200009044
Energy: 0.9046950180859358
Energy: 0.918672420003037
Energy: 0.9119956141478516
Energy: 0.8922241499165964
Energy: 0.9078713296771002
Energy: 0.892224149922994
Energy: 0.9040397572891323
Energy: 0.890128512902305
Energy: 0.9075101629630775
Energy: 0.8901285129044376
Energy: 0.9343191549069308
Energy: 0.8897482911941496
Energy: 0.9077611777923008
Energy: 0.8897482911962823
Energy: 0.940130803053958
Energy: 0.9559882256742742
Energy: 0.9076396538844429
Energy: 0.9559882256785392
Energy: 0.9215883255395179
Energy: 0.8568012173136329
Energy: 0.909369359012904
Energy: 0.8568012173136329
Energy: 0.9180392037967727
Energy: 0.8559140378064211
Energy: 0.9130310487097592
Energy: 0.8559140378064211
Energy: 0.9397742535796639
Energy: 0.8359883243234066
Energy: 0.9709892183014618
Energy: 0.8359883243223404
Energy: 0.9410556283085609
Energy: 0.8347907187960564
Energy: 0.9390567098899396
Energy: 0.8347907187917912
Energy: 0.9591693023674528
Energy: 0.8368746955744155
Energy: 0.9428730184647268
Energy: 0.8368746955754819
Energy: 0.9801135862730653
Energy: 0.8241260607506666
Energy: 0.9502289246840293
Energy: 0.8241260607517329
Energy: 0.9721139980320455
Energy: 0.8236673382653852
Energy: 0.9909512835158687
Energy: 0.8236673382633011
Energy: 0.9725945418804521
Energy: 0.8247691961616544
Energy: 0.9824472886198508
Energy: 0.8247691961605883
Energy: 0.9966073588576453
Energy: 0.8277267879550345
Energy: 0.9837966017779549
Energy: 0.8277267879592511
Energy: 1.0061237811910364
Energy: 0.8185742876511451
Energy: 1.0064431613380833
Energy: 0.8185742876511451
Energy: 0.9831280755659844
Energy: 0.8260264875537665
Energy: 1.009106952406534
Energy: 0.8260264875516339
Energy: 0.9809324207160323
Energy: 0.8267158381545407
Energy: 0.971821421307109
Energy: 0.8267158381524083
Energy: 0.9910047972561222
Energy: 0.8232580632505795
Energy: 0.9734106967595487
Energy: 0.8232580632527121
Energy: 0.9950104501372341
Energy: 0.8226617629094499
Energy: 0.9787158686972138
Energy: 0.8226617629073173
Energy: 0.9455848929067511
Energy: 0.835160014056101
Energy: 0.9782301530931437
Energy: 0.8351600140507696
Energy: 0.9396753449452191
Energy: 0.8346801221240041
Energy: 0.9260492445604336
Energy: 0.8346801221144075
Energy: 0.9779834367488408
Energy: 0.8382828077438901
Energy: 0.9396240659603057
Energy: 0.8382828077417573
Energy: 0.9708540516973935
Energy: 0.8565496349485351
Energy: 0.920588879126687
Energy: 0.8565496349496012
Energy: 0.9382700169984928
Energy: 0.8563483679113619
Energy: 0.9203789891842412
Energy: 0.8563483679134946
Energy: 0.9103879877380114
Energy: 0.9680523467648506
Energy: 0.9409983014327106
Energy: 0.9680523467413923
Energy: 0.9080863362854701
Energy: 0.8896203719687331
Energy: 0.9217022739403367
Energy: 0.889620371967667
Energy: 0.9077309566518615
Energy: 0.8901451515031698
Energy: 0.9250236447289327
Energy: 0.8901451515031698
Energy: 0.9090306024622993
Energy: 0.9208673142664319
Energy: 0.9095048689668899
Energy: 0.9208673142600342
Energy: 0.9420348996641708
Energy: 0.9187468655745615
Energy: 0.91557591504354
Energy: 0.9187468655766942
Energy: 0.9066652407128587
Energy: 0.919917530807973
Energy: 0.9151100739778047
Energy: 0.9199175308090393
Energy: 0.9096732071548307
Energy: 0.8916184979194132
Energy: 0.9185189573884739
Energy: 0.8916184979172805
Energy: 1.0537434620696176
Energy: 0.919042284355056
Energy: 0.9331399035299273
Energy: 0.9190422843539897
Energy: 0.9159153662499308
Energy: 0.9211865472598859
Energy: 0.908020299058532
Energy: 0.9211865472023064
Energy: 0.9166276210179611
Energy: 0.9207706148674567
Energy: 0.91518317373008
Energy: 0.9207706148685229

minimum gb energy = 0.8185742876511451 eV
minimum distance =  2.24836684186546 Angstroms
sigma value = 85


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

Energy: 1.060930919883355
Energy: 0.8048402371530412
Energy: 0.9344528298086467
Energy: 0.9339291595946129
Energy: 0.7969093988102244
Energy: 0.7925015680471496
Energy: 0.8108677787227574
Energy: 0.7925015680443751
Energy: 0.8096149208001917
Energy: 0.8118738320910209
Energy: 0.8475096092641784
Energy: 0.811873832067901
Energy: 0.8098700957822669
Energy: 0.8107456197513114
Energy: 0.8280527258003846
Energy: 0.8107456197485371
Energy: 0.8114997643908505
Energy: 0.8280933590985419
Energy: 0.810561884093357
Energy: 0.8280933590966921
Energy: 0.7993072863690959
Energy: 0.7918521192551513
Energy: 0.8106738521358697
Energy: 0.7918521192533017
Energy: 0.7992508542210559
Energy: 0.7909711991827084
Energy: 0.8108792117311845
Energy: 0.7909711991827084
Energy: 0.8463185272851662
Energy: 0.8801108334809388
Energy: 0.8128251365370748
Energy: 0.8801108334772397
Energy: 0.8276874936313381
Energy: 0.7698352325693348
Energy: 0.8087539637812067
Energy: 0.7698352325711844
Energy: 0.8279177489654652
Energy: 0.7689724110712022
Energy: 0.8087797005187042
Energy: 0.7689724110693524
Energy: 0.8278541046175678
Energy: 0.7577492056423993
Energy: 0.8795719534506791
Energy: 0.757749205643324
Energy: 0.856751222139889
Energy: 0.7572333377044147
Energy: 0.8529402231718629
Energy: 0.7572333377025651
Energy: 0.8938692787714863
Energy: 0.7586355017073945
Energy: 0.86955383278283
Energy: 0.7586355017083192
Energy: 0.894097636863244
Energy: 0.7520902184877993
Energy: 0.8709886545679036
Energy: 0.7520902184896489
Energy: 0.8838601775092123
Energy: 0.7514290107837194
Energy: 0.9621129339540104
Energy: 0.7514290107837194
Energy: 0.8854284784191643
Energy: 0.7519415671653489
Energy: 0.9042740193484621
Energy: 0.7519415671644243
Energy: 0.8884250676886649
Energy: 0.7500520722196469
Energy: 0.9045746828738235
Energy: 0.7500520722205715
Energy: 0.9625836970228692
Energy: 0.7494592584275476
Energy: 0.9175263109494703
Energy: 0.7494592584275476
Energy: 0.9080773624776008
Energy: 0.7500786221651942
Energy: 0.8946662271434609
Energy: 0.7500786221651942
Energy: 0.9081922381161933
Energy: 0.749391791117513
Energy: 0.9491067345403587
Energy: 0.7493917911193625
Energy: 0.9511544096981085
Energy: 0.7490564300188363
Energy: 0.9510164715385551
Energy: 0.7490564300188363
Energy: 0.894438838348067
Energy: 0.7490396552689641
Energy: 0.909119587331775
Energy: 0.7490396552708136
Energy: 0.9180315591906123
Energy: 0.7497308646269266
Energy: 0.9097586942562942
Energy: 0.7497308646269266
Energy: 0.9172520129370507
Energy: 0.7496037661540923
Energy: 0.9623785347257217
Energy: 0.7496037661540923
Energy: 0.9049990428815619
Energy: 0.7494809511425843
Energy: 0.8858464368348316
Energy: 0.7494809511398101
Energy: 0.8707793594142935
Energy: 0.7519699079347405
Energy: 0.8880318939279396
Energy: 0.751969907931966
Energy: 0.9194629147490173
Energy: 0.7520136569675162
Energy: 0.8837803132382352
Energy: 0.752013656969366
Energy: 0.8704678292574264
Energy: 0.871124546810328
Energy: 0.894394451681494
Energy: 0.871124546810328
Energy: 0.8531434082685845
Energy: 0.7570062043590864
Energy: 0.8277094574295896
Energy: 0.757006204357258
Energy: 0.8534497820493282
Energy: 0.7577045713598853
Energy: 0.8412525956253379
Energy: 0.7577045713589605
Energy: 0.8797721668584104
Energy: 0.8417329522763061
Energy: 0.8278641996160017
Energy: 0.841732952277231
Energy: 0.8164879866927517
Energy: 0.7685647329286814
Energy: 0.829132943918894
Energy: 0.7685647329286814
Energy: 0.8110616214534213
Energy: 0.7696556286742762
Energy: 0.8282927507088377
Energy: 0.7696556286724474
Energy: 0.8111555786316036
Energy: 0.7942086548965677
Energy: 0.8463516453880273
Energy: 0.7942086548937932
Energy: 0.8117727972511993
Energy: 0.7910027618379158
Energy: 0.8386535369752386
Energy: 0.7910027618379158
Energy: 0.8110714192049457
Energy: 0.7915386128333065
Energy: 0.8116101498957936
Energy: 0.7915386128314568
Energy: 0.8362309287683302
Energy: 0.8128013861551092
Energy: 0.8118106997497685
Energy: 0.8128013861532595
Energy: 0.8108707816637327
Energy: 0.8110913334218106
Energy: 0.810924608484287
Energy: 0.8110913334208857
Energy: 0.8117066937330605
Energy: 0.8114986607605843
Energy: 0.8096602034273197
Energy: 0.8114986607328617
Energy: 0.8108640578687101
Energy: 0.79226313035067
Energy: 0.8327932486801547
Energy: 0.7922631303589931
Energy: 0.8096804545331932
Energy: 0.8111078655298205
Energy: 0.8298361381233579
Energy: 0.8111078655298205
Energy: 0.8098501293979178
Energy: 0.7926200050673032
Energy: 0.8096956994703562
Energy: 0.7926200058530195
Energy: 0.8265519543484979
Energy: 0.8112336643082936
Energy: 0.809642626124727
Energy: 0.8112336643055191

minimum gb energy = 0.7490396552689641 eV
minimum distance =  2.240248660703 Angstroms
sigma value = 113


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

Energy: 0.014458292942902776
Energy: 0.014510102686873645
Energy: 0.9905281291371869
Energy: 0.10386214035898425
Energy: 0.015592999168759001
Energy: 0.10455567833344581
Energy: 0.09261997685921647
Energy: 0.10455567833202395
Energy: 0.09054362463533555
Energy: 0.10448590939884467
Energy: 0.015030813941689092
Energy: 0.10448590939884467
Energy: 0.09062565897935557
Energy: 0.10483002981206994
Energy: 0.01653319316503138
Energy: 0.10483002981206994
Energy: 0.09114432623101203
Energy: 0.10408647063186922
Energy: 0.09160989669328742
Energy: 0.10408647063119779
Energy: 0.015091957609106336
Energy: 0.10445985318524456
Energy: 0.09031139555785381
Energy: 0.10445985318319075

minimum gb energy = 0.014458292942902776 eV
minimum distance =  2.44569599389958 Angstroms
sigma value = 1