Model name: model_name=Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8296494334936138
cohesive_energy=4.3759129323723
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.013804517297103474
Energy: 0.014051570372700578
Energy: 0.014051845107841094
Energy: 0.014051570373212424
Energy: 0.013804517297103474
Energy: 0.014051570372188732
Energy: 0.014051570372700578
Energy: 4.739931723829683
Energy: 0.014051570372188732
Energy: 4.739931723824166
Energy: 0.014051570372700578
Energy: 4.739931723828176
Energy: 0.014051845107841094
Energy: 0.014051570373212424
Energy: 0.013804517297103474
Energy: 0.014051570372700578
Energy: 0.014051845107841094
Energy: 0.014051570372700578
Energy: 0.014051570373212424
Energy: 4.739931723825161
Energy: 0.014051570373212424
Energy: 4.739931723826669
Energy: 0.014051570373212424
Energy: 4.739931723824166
Energy: 0.013804517297103474
Energy: 0.014051570373695832
Energy: 0.014051845108324502
Energy: 0.014051570373212424
Energy: 0.013804517297103474
Energy: 0.014051570373212424
Energy: 0.014051570372700578
Energy: 4.739931723828176
Energy: 0.014051570372700578
Energy: 4.739931723824166
Energy: 0.014051570373212424
Energy: 4.739931723824166

minimum gb energy = 0.013804517297103474 eV
minimum distance =  2.228049037117 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.6935616503109834
Energy: 1.5883591531779697
Energy: 1.4997271063136524
Energy: 1.5883591531792018
Energy: 1.6935616503109834
Energy: 1.5883591531792018
Energy: 1.6082184719566877
Energy: 1.5566410665197876
Energy: 1.607352034761285
Energy: 1.5566410665210197
Energy: 1.6082184719566877
Energy: 1.5566410665210197
Energy: 1.474219413018529
Energy: 1.5565123896096031
Energy: 1.660250965560465
Energy: 1.5565123896096031
Energy: 1.474219413018529
Energy: 1.5565123896096031
Energy: 1.6602929844916068
Energy: 1.6013152861011473
Energy: 1.48863950364624
Energy: 1.6013152860999151
Energy: 1.6602929844903747
Energy: 1.6013152861011473
Energy: 1.6597656961324627
Energy: 1.58936371443231
Energy: 1.5658708404864392
Energy: 1.58936371443231
Energy: 1.6597656961324627
Energy: 1.58936371443231
Energy: 1.6575752511309099
Energy: 1.5564442476265112
Energy: 1.4744849428740234
Energy: 1.5564442476252789
Energy: 1.6575752511309099
Energy: 1.5564442476265112
Energy: 1.655767374091628
Energy: 1.556612066186461
Energy: 1.4743269722585892
Energy: 1.556612066187693
Energy: 1.655767374091628
Energy: 1.556612066186461
Energy: 1.6792087030921297
Energy: 1.589336495196711
Energy: 1.488764619655264
Energy: 1.589336495196711
Energy: 1.6792087030908975
Energy: 1.589336495196711
Energy: 1.6992224542083596
Energy: 1.601257520841013
Energy: 1.4879609840463779
Energy: 1.601257520842245
Energy: 1.6992224542083596
Energy: 1.601257520841013
Energy: 1.6560575572030873
Energy: 1.556590337516249
Energy: 1.4823380869817706
Energy: 1.556590337516249
Energy: 1.6560575572043192
Energy: 1.556590337516249
Energy: 1.4746424226260335
Energy: 1.6023896606110435
Energy: 1.6072958468143326
Energy: 1.6023896606122754
Energy: 1.4746424226260335
Energy: 1.6023896606110435
Energy: 1.4896569432422941
Energy: 1.5889514786992733
Energy: 1.489661014506809
Energy: 1.5889514786980412
Energy: 1.4896569432422941
Energy: 1.5889514786992733
Energy: 1.6071006480150531
Energy: 1.6023896606135075
Energy: 1.5188663957713873
Energy: 1.6023896606135075
Energy: 1.6071006480150531
Energy: 1.6023896606135075
Energy: 1.4823212372807029
Energy: 1.5566102575197807
Energy: 1.6560913724390336
Energy: 1.556610257521013
Energy: 1.4823212372807029
Energy: 1.5566102575197807
Energy: 1.4880002652196085
Energy: 1.6013958844222145
Energy: 1.6993849633408762
Energy: 1.6013958844234462
Energy: 1.4880002652196085
Energy: 1.6013958844234462
Energy: 1.4887451700693302
Energy: 1.589560427901853
Energy: 1.6791960464869018
Energy: 1.589560427901853
Energy: 1.4887451700693302
Energy: 1.589560427901853
Energy: 1.4743135688908278
Energy: 1.556534583661701
Energy: 1.6558225590950177
Energy: 1.5565345836604692
Energy: 1.4743135688908278
Energy: 1.556534583661701
Energy: 1.4745019275935884
Energy: 1.556475623408687
Energy: 1.6571133600447987
Energy: 1.5564756234099193
Energy: 1.4745019275935884
Energy: 1.5564756234099193
Energy: 1.5653446270204185
Energy: 1.5893309240660909
Energy: 1.6597891850112527
Energy: 1.5893309240660909
Energy: 1.5653446270204185
Energy: 1.5893309240660909
Energy: 1.4885487127907298
Energy: 1.6013279382877088
Energy: 1.6602705896845222
Energy: 1.6013279382877088
Energy: 1.4885487127907298
Energy: 1.6013279382877088
Energy: 1.6602498444111806
Energy: 1.5565075846035092
Energy: 1.4742174382594275
Energy: 1.5565075846047414
Energy: 1.6602498444099483
Energy: 1.5565075846035092
Energy: 1.6073170068514078
Energy: 1.5566659097092057
Energy: 1.6082372905141005
Energy: 1.5566659097079736
Energy: 1.6073170068514078
Energy: 1.5566659097092057
Energy: 1.4997271063148843
Energy: 1.5883591531792018
Energy: 1.6935616503109834
Energy: 1.5883591531792018
Energy: 1.4997271063148843
Energy: 1.5883591531792018

minimum gb energy = 1.4742174382594275 eV
minimum distance =  2.23000382608723 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.093228939642909
Energy: 1.706712349751176
Energy: 1.564826104147937
Energy: 1.706712349751176
Energy: 2.093228939642909
Energy: 1.706712349751176
Energy: 1.6333959380476277
Energy: 1.6588783902984894
Energy: 1.654443312784364
Energy: 1.6588783902991904
Energy: 1.6333959380476277
Energy: 1.6588783902991904
Energy: 1.540899067267102
Energy: 1.7025734401256671
Energy: 1.7574463949121755
Energy: 1.7025734401256671
Energy: 1.540899067267102
Energy: 1.7025734401256671
Energy: 1.6424118620292933
Energy: 1.6821584808542869
Energy: 1.7924340875531055
Energy: 1.6821584808549874
Energy: 1.6424118620292933
Energy: 1.6821584808549874
Energy: 1.642809527569726
Energy: 1.6726459744856512
Energy: 1.6886597801407057
Energy: 1.6726459744856512
Energy: 1.642809527569726
Energy: 1.6726459744856512
Energy: 1.6724260356183884
Energy: 1.6744459239571814
Energy: 1.5363841862063987
Energy: 1.6744459239571814
Energy: 1.6724260356183884
Energy: 1.6744459239571814
Energy: 1.6724768666872336
Energy: 1.6742737787351427
Energy: 1.603257806073877
Energy: 1.6742737787351427
Energy: 1.6724768666872336
Energy: 1.6742737787351427
Energy: 1.536948570069334
Energy: 1.6729492458270336
Energy: 1.6970695028509937
Energy: 1.6729492458270336
Energy: 1.536948570069334
Energy: 1.6729492458270336
Energy: 1.6416480684955908
Energy: 1.6821789058356449
Energy: 1.6683361856490964
Energy: 1.6821789058356449
Energy: 1.6416480684955908
Energy: 1.6821789058356449
Energy: 1.6337035649797065
Energy: 1.7029159220067127
Energy: 1.6218626651531776
Energy: 1.7029159220067127
Energy: 1.6337035649797065
Energy: 1.7029159220067127
Energy: 1.6324083963135145
Energy: 1.6569881482845554
Energy: 1.6541977270691004
Energy: 1.6569881482845554
Energy: 1.6324083963135145
Energy: 1.6569881482838547
Energy: 1.7495122390230722
Energy: 1.6732141663556623
Energy: 1.607572043103062
Energy: 1.6732141663549613
Energy: 1.7495122390230722
Energy: 1.6732141663549613
Energy: 1.7869414030023008
Energy: 1.7031979409882245
Energy: 1.6322995209342073
Energy: 1.7031979409882245
Energy: 1.7869414030023008
Energy: 1.7031979409882245
Energy: 1.6611861752371824
Energy: 1.7022414480866952
Energy: 1.6981155131473236
Energy: 1.7022414480866952
Energy: 1.6611861752371824
Energy: 1.7022414480866952
Energy: 1.7515040510996054
Energy: 1.6730453538564658
Energy: 1.707597735949067
Energy: 1.6730453538564658
Energy: 1.7515040510996054
Energy: 1.6730453538564658
Energy: 1.7506494347776271
Energy: 1.67274817056711
Energy: 1.5801673067390591
Energy: 1.67274817056711
Energy: 1.7506494347776271
Energy: 1.67274817056711
Energy: 1.7505377764320231
Energy: 1.6747839525594488
Energy: 1.6216434426676523
Energy: 1.6747839525594488
Energy: 1.7505377764320231
Energy: 1.6747839525594488
Energy: 1.749676843030513
Energy: 1.6580264504817994
Energy: 1.8048734672206488
Energy: 1.6580264504817994
Energy: 1.7496768430312137
Energy: 1.6580264504817994
Energy: 1.5366007579967969
Energy: 1.6729302589091388
Energy: 1.7218442138100085
Energy: 1.6729302589091388
Energy: 1.5366007579967969
Energy: 1.6729302589091388
Energy: 1.621727675083682
Energy: 1.6825239247918866
Energy: 1.6680906614661362
Energy: 1.6825239247925872
Energy: 1.621727675083682
Energy: 1.6825239247925872
Energy: 1.767166054822404
Energy: 1.703087650774379
Energy: 1.564476335243505
Energy: 1.703087650774379
Energy: 1.767166054822404
Energy: 1.703087650774379
Energy: 1.6324582765365674
Energy: 1.6578137457579456
Energy: 1.6551136267607383
Energy: 1.6578137457579456
Energy: 1.6324582765365674
Energy: 1.6578137457586464
Energy: 1.6217762599348529
Energy: 1.6731267235956009
Energy: 1.6886011122589275
Energy: 1.6731267235956009
Energy: 1.6217762599348529
Energy: 1.6731267235956009
Energy: 1.7498991193008762
Energy: 1.658304706229427
Energy: 1.6540475960111203
Energy: 1.658304706229427
Energy: 1.7498991193015767
Energy: 1.658304706229427
Energy: 1.6569027197152397
Energy: 1.6750639221956245
Energy: 1.7574475002373477
Energy: 1.6750639221956245
Energy: 1.6569027197152397
Energy: 1.6750639221956245
Energy: 1.6977722654874412
Energy: 1.703805904099691
Energy: 1.6033491770300812
Energy: 1.703805904099691
Energy: 1.6977722654867407
Energy: 1.703805904099691
Energy: 1.6975591058734816
Energy: 1.7037879605361876
Energy: 1.604151155732018
Energy: 1.7037879605361876
Energy: 1.6975591058734816
Energy: 1.7037879605361876
Energy: 1.6569732649945932
Energy: 1.6751024332324664
Energy: 1.7575629160847415
Energy: 1.6751024332324664
Energy: 1.6569732649945932
Energy: 1.6751024332324664
Energy: 1.7497627325808067
Energy: 1.658153262812725
Energy: 1.654080692677384
Energy: 1.658153262812725
Energy: 1.7497627325808067
Energy: 1.6581532628134261
Energy: 1.6218511846607573
Energy: 1.673120010029132
Energy: 1.7483220657104888
Energy: 1.673120010029132
Energy: 1.6218511846600563
Energy: 1.673120010029132
Energy: 1.632528421577158
Energy: 1.6578137457586464
Energy: 1.6544685195203372
Energy: 1.6578137457586464
Energy: 1.632528421577158
Energy: 1.6578137457586464
Energy: 1.7671646899760574
Energy: 1.703093484078345
Energy: 1.5644775048258805
Energy: 1.7030934840790457
Energy: 1.7671646899760574
Energy: 1.703093484078345
Energy: 1.6219389036458052
Energy: 1.682346749070412
Energy: 1.6680849531537847
Energy: 1.6823467490697113
Energy: 1.6219389036458052
Energy: 1.6823467490697113
Energy: 1.5366025698745474
Energy: 1.672978950221223
Energy: 1.722186518383415
Energy: 1.672978950221223
Energy: 1.5366025698738464
Energy: 1.672978950221223
Energy: 1.7496393654221283
Energy: 1.6580229130026558
Energy: 1.706052122602373
Energy: 1.6580229130026558
Energy: 1.7496393654221283
Energy: 1.6580229130026558
Energy: 1.7502269921016056
Energy: 1.6747697757224873
Energy: 1.621704065616107
Energy: 1.6747697757224873
Energy: 1.7502269921016056
Energy: 1.6747697757224873
Energy: 1.751049038925344
Energy: 1.6727250763704034
Energy: 1.603554700800734
Energy: 1.6727250763697028
Energy: 1.751049038925344
Energy: 1.6727250763697028
Energy: 1.7510525775168477
Energy: 1.6730878080315803
Energy: 1.7077957130418477
Energy: 1.6730878080315803
Energy: 1.7510525775168477
Energy: 1.6730878080315803
Energy: 1.661172374632553
Energy: 1.7022436164556047
Energy: 1.698286333233695
Energy: 1.7022436164556047
Energy: 1.661172374632553
Energy: 1.7022436164556047
Energy: 1.7869599631973578
Energy: 1.703261674147986
Energy: 1.6347042786629908
Energy: 1.703261674147285
Energy: 1.7869599631980586
Energy: 1.703261674147285
Energy: 1.7495102098412045
Energy: 1.6732852970345453
Energy: 1.6253608903660806
Energy: 1.6732852970345453
Energy: 1.7495102098412045
Energy: 1.6732852970345453

minimum gb energy = 1.5363841862063987 eV
minimum distance =  2.2129493712865 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.023366465311276
Energy: 1.850516429998904
Energy: 1.6685386775805426
Energy: 1.850516429998904
Energy: 2.023366465311276
Energy: 1.850516429998904
Energy: 1.654742313536588
Energy: 1.761272301575732
Energy: 1.8220134339434757
Energy: 1.761272301575732
Energy: 1.654742313536588
Energy: 1.761272301575732
Energy: 1.5999033832028666
Energy: 1.786658244311464
Energy: 1.733981692403505
Energy: 1.7866582443098402
Energy: 1.5999033832028666
Energy: 1.7866582443098402
Energy: 1.6131714127020025
Energy: 1.7611864803918762
Energy: 1.8224871703689254
Energy: 1.7611864803918762
Energy: 1.6131714127036263
Energy: 1.7611864803918762
Energy: 1.627371619425722
Energy: 1.7640030776593751
Energy: 1.7339813689126344
Energy: 1.7640030776577516
Energy: 1.627371619425722
Energy: 1.7640030776593751
Energy: 1.8008892224512487
Energy: 1.710996495903768
Energy: 1.8163540993294147
Energy: 1.710996495903768
Energy: 1.8008892224512487
Energy: 1.710996495903768
Energy: 1.801504917408534
Energy: 1.7135477663228575
Energy: 1.6667457407032218
Energy: 1.7135477663228575
Energy: 1.801504917408534
Energy: 1.7135477663228575
Energy: 1.6265417694768334
Energy: 1.7615577354113627
Energy: 1.6569107508550878
Energy: 1.7615577354113627
Energy: 1.6265417694768334
Energy: 1.7615577354113627
Energy: 1.8013255612437413
Energy: 1.756255711746432
Energy: 1.6144589125976683
Energy: 1.756255711746432
Energy: 1.801325561245365
Energy: 1.756255711746432
Energy: 1.599825404205174
Energy: 1.7873057472842198
Energy: 1.6569690965232906
Energy: 1.7873057472842198
Energy: 1.599825404205174
Energy: 1.7873057472842198
Energy: 1.8568736754166082
Energy: 1.7385501328729314
Energy: 1.8184434335714792
Energy: 1.7385501328729314
Energy: 1.8568736754166082
Energy: 1.7385501328729314
Energy: 1.818132179497631
Energy: 1.8515335895033596
Energy: 1.8161102245487386
Energy: 1.8515335895033596
Energy: 1.8181321794927598
Energy: 1.8515335895033596
Energy: 1.6775770541377568
Energy: 1.7633184032914473
Energy: 1.822408819963875
Energy: 1.7633184032914473
Energy: 1.6775770541377568
Energy: 1.7633184032914473
Energy: 1.5996882453809402
Energy: 1.7866722357832494
Energy: 1.8052046860173137
Energy: 1.7866722357832494
Energy: 1.5996882453809402
Energy: 1.7866722357832494
Energy: 1.5999359478903648
Energy: 1.7900335746090503
Energy: 1.8031283585648332
Energy: 1.7900335746090503
Energy: 1.5999359478919883
Energy: 1.7900335746090503
Energy: 1.626670158171905
Energy: 1.767118159991997
Energy: 1.8052003360197537
Energy: 1.767118159991997
Energy: 1.626670158171905
Energy: 1.767118159991997
Energy: 1.8008097637709335
Energy: 1.7917720858645267
Energy: 1.8173044152739497
Energy: 1.7917720858645267
Energy: 1.8008097637709335
Energy: 1.7917720858645267
Energy: 1.8006171480130928
Energy: 1.7190547369276339
Energy: 1.7806460398937203
Energy: 1.7190547369276339
Energy: 1.8006171480130928
Energy: 1.7190547369276339

minimum gb energy = 1.5996882453809402 eV
minimum distance =  2.20281494298283 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.9470896253257142
Energy: 1.8782943017870324
Energy: 1.5912276132395882
Energy: 1.8782943017860694
Energy: 1.9470896253257142
Energy: 1.8782943017860694
Energy: 1.6257456751325305
Energy: 1.9013206781003344
Energy: 1.6522558466422126
Energy: 1.9013206780993712
Energy: 1.6257456751334938
Energy: 1.9013206780993712
Energy: 1.5813881874850226
Energy: 1.8672857325977485
Energy: 1.7057150307035178
Energy: 1.8672857325977485
Energy: 1.5813881874850226
Energy: 1.8672857325977485
Energy: 1.6370899644499732
Energy: 1.84029297769357
Energy: 1.6514558372949613
Energy: 1.84029297769357
Energy: 1.6370899644499732
Energy: 1.84029297769357
Energy: 1.570783507779148
Energy: 1.874595646708336
Energy: 1.8265590766598137
Energy: 1.874595646708336
Energy: 1.570783507779148
Energy: 1.874595646708336
Energy: 1.8263774661171652
Energy: 1.8746759901578534
Energy: 1.5706349914259568
Energy: 1.8746759901588166
Energy: 1.826377466116224
Energy: 1.8746759901588166
Energy: 1.6514909040232382
Energy: 1.8403124180264943
Energy: 1.6371206471133484
Energy: 1.8403124180274573
Energy: 1.6514909040232382
Energy: 1.8403124180264943
Energy: 1.7057671689106664
Energy: 1.8673118600066254
Energy: 1.581386035267211
Energy: 1.8673118600066254
Energy: 1.7057671689106664
Energy: 1.8673118600066254
Energy: 1.6521278382126157
Energy: 1.9012606456067533
Energy: 1.5816595410013647
Energy: 1.9012606456067533
Energy: 1.6521278382126157
Energy: 1.9012606456067533
Energy: 1.591227613237662
Energy: 1.8782943017860694
Energy: 1.9470896253257142
Energy: 1.8782943017860694
Energy: 1.591227613237662
Energy: 1.8782943017860694
Energy: 1.6522558466422126
Energy: 1.9013206780993712
Energy: 1.5816131513535514
Energy: 1.9013206780993712
Energy: 1.6522558466412494
Energy: 1.9013206780993712
Energy: 1.7057150307035178
Energy: 1.8672857325977485
Energy: 1.5813881874850226
Energy: 1.867285732596785
Energy: 1.7057150307035178
Energy: 1.8672857325977485
Energy: 1.6514558372949613
Energy: 1.84029297769357
Energy: 1.6370899644499732
Energy: 1.84029297769357
Energy: 1.6514558372949613
Energy: 1.84029297769357
Energy: 1.8265590766598137
Energy: 1.874595646708336
Energy: 1.570783507780111
Energy: 1.874595646708336
Energy: 1.8265590766598137
Energy: 1.874595646708336
Energy: 1.5706349914259568
Energy: 1.8746759901578534
Energy: 1.826377466116224
Energy: 1.8746759901588166
Energy: 1.5706349914259568
Energy: 1.8746759901588166
Energy: 1.605279409891813
Energy: 1.8403124180264943
Energy: 1.6514909040232382
Energy: 1.8403124180264943
Energy: 1.605279409891813
Energy: 1.8403124180264943
Energy: 1.581386035267211
Energy: 1.8673118600066254
Energy: 1.7057671689116296
Energy: 1.8673118600066254
Energy: 1.581386035267211
Energy: 1.8673118600066254
Energy: 1.5816595410004233
Energy: 1.9012606456067533
Energy: 1.6521278382126157
Energy: 1.9012606456057901
Energy: 1.5816595410004233
Energy: 1.9012606456067533
Energy: 1.9470896253257142
Energy: 1.8782943017860694
Energy: 1.6194837243963558
Energy: 1.8782943017860694
Energy: 1.9470896253257142
Energy: 1.8782943017860694
Energy: 1.5816131513535514
Energy: 1.9013206780993712
Energy: 1.6522558466422126
Energy: 1.9013206780993712
Energy: 1.5816131513535514
Energy: 1.9013206780993712
Energy: 1.5813881874850226
Energy: 1.8672857325977485
Energy: 1.7057150307035178
Energy: 1.8672857325977485
Energy: 1.5813881874850226
Energy: 1.8672857325977485
Energy: 1.6370899644499732
Energy: 1.84029297769357
Energy: 1.6514558372949613
Energy: 1.84029297769357
Energy: 1.6370899644499732
Energy: 1.84029297769357
Energy: 1.570783507779148
Energy: 1.874595646708336
Energy: 1.8265590766598137
Energy: 1.874595646708336
Energy: 1.570783507779148
Energy: 1.8745956467073728
Energy: 1.9005419857888584
Energy: 1.8746759901588166
Energy: 1.5706349914259568
Energy: 1.8746759901578534
Energy: 1.9005419857888584
Energy: 1.8746759901578534
Energy: 1.6514909040232382
Energy: 1.8403124180264943
Energy: 1.5701440088010896
Energy: 1.8403124180264943
Energy: 1.6514909040232382
Energy: 1.8403124180264943
Energy: 1.7057671689106664
Energy: 1.8673118600066254
Energy: 1.581386035267211
Energy: 1.8673118600066254
Energy: 1.7057671689106664
Energy: 1.8673118600066254
Energy: 1.6521278382126157
Energy: 1.9012606456067533
Energy: 1.5816595410013647
Energy: 1.9012606456057901
Energy: 1.6521278382126157
Energy: 1.9012606456067533
Energy: 1.6612428536130714
Energy: 1.8782943017860694
Energy: 1.9470896253257142
Energy: 1.8782943017860694
Energy: 1.6612428536130714
Energy: 1.8782943017860694
Energy: 1.6522558466412494
Energy: 1.9013206780993712
Energy: 1.5816131513535514
Energy: 1.9013206780993712
Energy: 1.6522558466422126
Energy: 1.9013206780993712
Energy: 1.705715030704481
Energy: 1.8672857325977485
Energy: 1.5813881874850226
Energy: 1.8672857325977485
Energy: 1.705715030704481
Energy: 1.8672857325977485

minimum gb energy = 1.5701440088010896 eV
minimum distance =  2.1911055138 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.5149370978131893
Energy: 1.801214212177409
Energy: 1.422810669091164
Energy: 1.801214212177409
Energy: 1.5149370978131893
Energy: 1.801214212177409
Energy: 1.428771563591893
Energy: 1.8331351544727297
Energy: 1.4228981396831093
Energy: 1.8331351544727297
Energy: 1.428771563591893
Energy: 1.833135154472488
Energy: 1.395118536650365
Energy: 1.7996040397534405
Energy: 1.4228161464799145
Energy: 1.7996040397534405
Energy: 1.395118536650365
Energy: 1.7996040397534405
Energy: 1.514196222082497
Energy: 1.8007595591681018
Energy: 1.394896143993728
Energy: 1.8007595591683432
Energy: 1.514196222082497
Energy: 1.8007595591683432
Energy: 1.4236085126027802
Energy: 1.8020566657431072
Energy: 1.4295638423233632
Energy: 1.8020566657433486
Energy: 1.4236085126027802
Energy: 1.8020566657433486
Energy: 1.3947181044195727
Energy: 1.7996234151836006
Energy: 1.3949294872655078
Energy: 1.7996234151840564
Energy: 1.3947181044193313
Energy: 1.799623415183359
Energy: 1.3955947111877234
Energy: 1.3948889327196545
Energy: 1.3949656135280961
Energy: 1.3948889327194134
Energy: 1.3955947111877234
Energy: 1.3948889327196545
Energy: 1.513252024143215
Energy: 1.8121891587605417
Energy: 1.4230919335385404
Energy: 1.8121891587605417
Energy: 1.513252024143215
Energy: 1.8121891587605417
Energy: 1.3950730724659188
Energy: 1.8360533895088795
Energy: 1.4283141118529192
Energy: 1.8360533895086382
Energy: 1.3950730724659188
Energy: 1.8360533895086382
Energy: 1.3948364503084607
Energy: 1.943872285018249
Energy: 1.394849652271646
Energy: 1.943872285018705
Energy: 1.3948364503084607
Energy: 1.943872285018946
Energy: 1.42846231233442
Energy: 1.8360386262762518
Energy: 1.3950760354292902
Energy: 1.8360386262762518
Energy: 1.4284623123355997
Energy: 1.8360386262762518
Energy: 1.4230975080695982
Energy: 1.8122089351930863
Energy: 1.5132508551029913
Energy: 1.8122089351935422
Energy: 1.423097508069357
Energy: 1.8122089351930863

minimum gb energy = 1.3947181044193313 eV
minimum distance =  2.18988609135967 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.92135847178252
Energy: 1.90570466146387
Energy: 1.557369706554791
Energy: 1.90570466146387
Energy: 1.92135847178252
Energy: 1.90570466146387
Energy: 1.7473139619945204
Energy: 1.8321067668535507
Energy: 1.6207218919183919
Energy: 1.8321067668535507
Energy: 1.7473139619945204
Energy: 1.8321067668528876
Energy: 1.6256461810486753
Energy: 1.9108350085746897
Energy: 1.6207710972921858
Energy: 1.9108350085746897
Energy: 1.6256461810486753
Energy: 1.9108350085746897
Energy: 1.5442675983316483
Energy: 1.8804147105375604
Energy: 1.555383495249447
Energy: 1.8804147105375604
Energy: 1.5442675983316483
Energy: 1.8804147105375604
Energy: 1.541804525762804
Energy: 1.880896586190399
Energy: 1.6019792434847213
Energy: 1.880896586190399
Energy: 1.541804525762804
Energy: 1.880896586190399
Energy: 1.5424455433722013
Energy: 1.816936494391564
Energy: 1.6261747287433073
Energy: 1.816936494391564
Energy: 1.5424455433715383
Energy: 1.816936494391564
Energy: 1.7590322686705344
Energy: 1.8865281765199824
Energy: 1.6288645925419407
Energy: 1.8865281765199824
Energy: 1.7590322686705344
Energy: 1.8865281765199824
Energy: 1.759661059096543
Energy: 1.881740768739019
Energy: 1.727958430011607
Energy: 1.881740768739019
Energy: 1.759661059096543
Energy: 1.881740768739019
Energy: 1.7239491771848605
Energy: 1.7832807229515226
Energy: 1.6637114705179537
Energy: 1.7832807229508598
Energy: 1.7239491771848605
Energy: 1.7832807229515226
Energy: 1.7693966355456638
Energy: 1.9113737902608197
Energy: 1.5413982626639289
Energy: 1.9113737902608197
Energy: 1.7693966355456638
Energy: 1.9113737902608197
Energy: 1.6541488114464442
Energy: 1.887357707061107
Energy: 1.6210647911267697
Energy: 1.887357707060444
Energy: 1.6541488114464442
Energy: 1.887357707061107
Energy: 1.6233501296706232
Energy: 1.8819695476353298
Energy: 1.6258172179935548
Energy: 1.8819695476353298
Energy: 1.6233501296706232
Energy: 1.8819695476353298
Energy: 1.540256950860511
Energy: 1.8288766504809866
Energy: 1.58719469074991
Energy: 1.8288766504796607
Energy: 1.540256950860511
Energy: 1.8288766504796607
Energy: 1.7611539947557977
Energy: 1.9463931568020418
Energy: 1.5877574818042384
Energy: 1.9463931568020418
Energy: 1.7611539947557977
Energy: 1.9463931568020418
Energy: 1.620231766662073
Energy: 1.8817771427189753
Energy: 1.651210782104467
Energy: 1.8817771427189753
Energy: 1.620231766662736
Energy: 1.8817771427189753
Energy: 1.721885808598072
Energy: 1.8668334265193556
Energy: 1.6257544366254024
Energy: 1.8668334265193556
Energy: 1.721885808598072
Energy: 1.8668334265200184
Energy: 1.77431145866266
Energy: 1.9110799561719365
Energy: 1.5415541122876746
Energy: 1.9110799561719365
Energy: 1.77431145866266
Energy: 1.9110799561712735
Energy: 1.625871776499301
Energy: 1.7752391920095243
Energy: 1.6207851324415317
Energy: 1.7752391920088613
Energy: 1.625871776499301
Energy: 1.7752391920088613
Energy: 1.763663249174937
Energy: 1.9456613746326517
Energy: 1.5402193524461023
Energy: 1.9456613746326517
Energy: 1.763663249174937
Energy: 1.9456613746326517
Energy: 1.540301766904813
Energy: 1.8060230236099533
Energy: 1.5404858291846295
Energy: 1.8060230236092905
Energy: 1.5403017669054757
Energy: 1.8060230236099533
Energy: 1.540222721132395
Energy: 1.945634962227282
Energy: 1.7636559812931296
Energy: 1.945634962227282
Energy: 1.540222721132395
Energy: 1.945634962227282
Energy: 1.6209157668669665
Energy: 1.7748929402013565
Energy: 1.6259042919810012
Energy: 1.7748929402006937
Energy: 1.6209157668689553
Energy: 1.7748929402006937
Energy: 1.5415735883178332
Energy: 1.910820554883518
Energy: 1.7743408233712585
Energy: 1.910820554883518
Energy: 1.5415735883178332
Energy: 1.910820554883518
Energy: 1.625642352578614
Energy: 1.866817126825929
Energy: 1.7218889257351702
Energy: 1.8668171268265918
Energy: 1.6256423525792767
Energy: 1.8668171268265918
Energy: 1.6511064902349277
Energy: 1.8816031194558713
Energy: 1.6201932032134643
Energy: 1.8816031194558713
Energy: 1.6511064902355903
Energy: 1.8816031194558713
Energy: 1.587578273913263
Energy: 1.945839777694456
Energy: 1.7611302822847987
Energy: 1.9458397776937932
Energy: 1.5875782739126
Energy: 1.9458397776937932
Energy: 1.587166448059679
Energy: 1.8288442317918951
Energy: 1.5402665871091974
Energy: 1.8288442317918951
Energy: 1.587166448059679
Energy: 1.8288442317918951
Energy: 1.6257121084795838
Energy: 1.8821520432811691
Energy: 1.6231935860050384
Energy: 1.8821520432811691
Energy: 1.6257121084795838
Energy: 1.882152043281832
Energy: 1.6210922757849726
Energy: 1.8876603891085213
Energy: 1.7556040304438119
Energy: 1.8876603891085213
Energy: 1.6210922757849726
Energy: 1.8876603891091843
Energy: 1.5414129856280454
Energy: 1.9113884432296566
Energy: 1.7694588873647001
Energy: 1.9113884432296566
Energy: 1.5414129856280454
Energy: 1.9113884432296566
Energy: 1.6227660517690288
Energy: 1.7832807229528485
Energy: 1.7238616741733388
Energy: 1.783280722950197
Energy: 1.6227660517690288
Energy: 1.7832807229528485
Energy: 1.7278407061694843
Energy: 1.8819616377480073
Energy: 1.7596881366744996
Energy: 1.8819616377480073
Energy: 1.7278407061688212
Energy: 1.8819616377480073
Energy: 1.6291928055947371
Energy: 1.8865389017784875
Energy: 1.759033009598313
Energy: 1.8865389017778247
Energy: 1.6291928055940739
Energy: 1.8865389017784875
Energy: 1.6263244150422462
Energy: 1.8427633024620882
Energy: 1.5424862686221508
Energy: 1.8427633024620882
Energy: 1.6263244150422462
Energy: 1.8427633024620882
Energy: 1.5552963068383554
Energy: 1.880851930358448
Energy: 1.541802408369309
Energy: 1.880851930358448
Energy: 1.5552963068383554
Energy: 1.880851930358448
Energy: 1.5553400098172525
Energy: 1.8804411376446555
Energy: 1.5442274730203938
Energy: 1.8804411376439925
Energy: 1.5553400098172525
Energy: 1.8804411376439925
Energy: 1.6213266509335122
Energy: 1.9108085785681135
Energy: 1.6256232974524591
Energy: 1.9108085785681135
Energy: 1.6213266509335122
Energy: 1.9108085785681135
Energy: 1.620816855226214
Energy: 1.832898677659343
Energy: 1.7472850890909548
Energy: 1.832898677660006
Energy: 1.620816855226214
Energy: 1.832898677660006
Energy: 1.5954987712357722
Energy: 1.90570466146387
Energy: 1.9213584717818573
Energy: 1.90570466146387
Energy: 1.5954987712370983
Energy: 1.90570466146387
Energy: 1.6207218919183919
Energy: 1.8880856828652262
Energy: 1.7473139619945204
Energy: 1.8880856828652262
Energy: 1.6207218919183919
Energy: 1.8880856828652262
Energy: 1.6207710972928486
Energy: 1.9108350085746897
Energy: 1.6256461810486753
Energy: 1.9108350085746897
Energy: 1.6207710972928486
Energy: 1.9108350085740267
Energy: 1.555383495249447
Energy: 1.8804147105375604
Energy: 1.5442675983309855
Energy: 1.8804147105368973
Energy: 1.555383495249447
Energy: 1.8804147105375604
Energy: 1.6019792434833955
Energy: 1.880896586190399
Energy: 1.541804525763467
Energy: 1.880896586190399
Energy: 1.6019792434827327
Energy: 1.880896586190399

minimum gb energy = 1.5402193524461023 eV
minimum distance =  2.17627519197615 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.6824619336492554
Energy: 1.7485635294213362
Energy: 1.555278681714179
Energy: 1.7485635294198274
Energy: 1.6824619336492554
Energy: 1.7485635294213362
Energy: 1.4367880296546196
Energy: 1.7286554321231526
Energy: 1.476612463087084
Energy: 1.7286554321231526
Energy: 1.4367880296546196
Energy: 1.7286554321231526
Energy: 1.455285783857832
Energy: 1.6860396450951742
Energy: 1.4429362829432002
Energy: 1.6860396450951742
Energy: 1.455285783857832
Energy: 1.6860396450951742
Energy: 1.4426119753029005
Energy: 1.68862850165557
Energy: 1.5145487311028254
Energy: 1.688628501657079
Energy: 1.4426119753029005
Energy: 1.68862850165557
Energy: 1.4427950899042756
Energy: 1.7487604676308879
Energy: 1.4370531130501516
Energy: 1.7487604676308879
Energy: 1.4427950899042756
Energy: 1.7487604676308879
Energy: 1.4426422635238318
Energy: 1.686012905414988
Energy: 1.4551161132886525
Energy: 1.686012905416497
Energy: 1.4426422635238318
Energy: 1.686012905414988
Energy: 1.4426400190802773
Energy: 1.6858955590286764
Energy: 1.4550462080428317
Energy: 1.6858955590286764
Energy: 1.4426400190802773
Energy: 1.6858955590286764
Energy: 1.4427938724683431
Energy: 1.7487910537122482
Energy: 1.5106447645871857
Energy: 1.7487910537122482
Energy: 1.4427938724683431
Energy: 1.7487910537122482
Energy: 1.442621266237817
Energy: 1.688679084389563
Energy: 1.4766761501116725
Energy: 1.688679084389563
Energy: 1.442621266237817
Energy: 1.688679084389563
Energy: 1.455291862215297
Energy: 1.6860166807689039
Energy: 1.4441613271073797
Energy: 1.6860166807689039
Energy: 1.455291862215297
Energy: 1.6860166807689039
Energy: 1.4367171708752806
Energy: 1.7286554321231526
Energy: 1.5104353745232693
Energy: 1.7286554321231526
Energy: 1.4367171708752806
Energy: 1.7286554321231526
Energy: 1.6824619336492554
Energy: 1.7485635294213362
Energy: 1.515502830575485
Energy: 1.7485635294198274
Energy: 1.6824619336492554
Energy: 1.7485635294213362
Energy: 1.4367880296546196
Energy: 1.7286554321231526
Energy: 1.476612463087084
Energy: 1.7286554321231526
Energy: 1.4367880296546196
Energy: 1.7286554321231526
Energy: 1.455285783857832
Energy: 1.6860396450951742
Energy: 1.442936282944709
Energy: 1.6860396450951742
Energy: 1.455285783857832
Energy: 1.6860396450951742
Energy: 1.4426119753029005
Energy: 1.68862850165557
Energy: 1.442747152539885
Energy: 1.688628501657079
Energy: 1.4426119753029005
Energy: 1.68862850165557
Energy: 1.4427950899042756
Energy: 1.7487604676308879
Energy: 1.437053113108967
Energy: 1.7487604676308879
Energy: 1.4427950899042756
Energy: 1.7487604676308879
Energy: 1.4426422635238318
Energy: 1.686012905414988
Energy: 1.4551161132886525
Energy: 1.686012905416497
Energy: 1.4426422635238318
Energy: 1.686012905414988
Energy: 1.4426400190802773
Energy: 1.6858955590271674
Energy: 1.4550462080428317
Energy: 1.6858955590286764
Energy: 1.4426400190802773
Energy: 1.6858955590286764
Energy: 1.4427938724683431
Energy: 1.7487910537122482
Energy: 1.4425699637729896
Energy: 1.7487910537122482
Energy: 1.4427938724683431
Energy: 1.7487910537122482

minimum gb energy = 1.4367171708752806 eV
minimum distance =  2.17149497841678 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.5164368475630041
Energy: 1.6156559326763513
Energy: 1.415607912589154
Energy: 1.6156559326763513
Energy: 1.5164368475630041
Energy: 1.6156559326763513
Energy: 1.7325619318643115
Energy: 1.5998549120646828
Energy: 1.3648924559443447
Energy: 1.5998549120646828
Energy: 1.7325619318643115
Energy: 1.5998549120646828
Energy: 1.497505635099558
Energy: 1.597457060946695
Energy: 1.5003896736483646
Energy: 1.5974570609478003
Energy: 1.497505635099558
Energy: 1.5974570609478003
Energy: 1.5440372064256191
Energy: 1.5788988832471
Energy: 1.364689610845786
Energy: 1.5788988832471
Energy: 1.5440372064245136
Energy: 1.5788988832471
Energy: 1.3643049972109436
Energy: 1.6083449785052955
Energy: 1.4920741518463825
Energy: 1.6083449785052955
Energy: 1.3643049972109436
Energy: 1.6083449785064008
Energy: 1.3684626465450882
Energy: 1.5867356339296692
Energy: 1.3644090188888156
Energy: 1.5867356339296692
Energy: 1.3684626465439826
Energy: 1.5867356339296692
Energy: 1.3671669989086335
Energy: 1.598649354027012
Energy: 1.3646001307325868
Energy: 1.5986493540259066
Energy: 1.3671669989075281
Energy: 1.5986493540259066
Energy: 1.7311854956943953
Energy: 1.6123258525947746
Energy: 1.4049979375282267
Energy: 1.6123258525947746
Energy: 1.73118549569329
Energy: 1.6123258525947746
Energy: 1.7297771297730733
Energy: 1.6081716611998982
Energy: 1.5664453379018468
Energy: 1.6081716611998982
Energy: 1.7297771297730733
Energy: 1.6081716612010035
Energy: 1.3687357738314498
Energy: 1.597139931511429
Energy: 1.3644835343746846
Energy: 1.5971399315125345
Energy: 1.3687357738314498
Energy: 1.5971399315125345
Energy: 1.3670537191657777
Energy: 1.582286217816498
Energy: 1.3648257973218254
Energy: 1.582286217816498
Energy: 1.3670537191657777
Energy: 1.582286217816498
Energy: 1.3659598509053588
Energy: 1.6131033792957707
Energy: 1.364364097411726
Energy: 1.6131033792957707
Energy: 1.3659598509053588
Energy: 1.613103379296876
Energy: 1.7296466762358258
Energy: 1.5792505057521118
Energy: 1.38528947707857
Energy: 1.5792505057521118
Energy: 1.7296466762347202
Energy: 1.5792505057532173
Energy: 1.4979964025780599
Energy: 1.597047245162476
Energy: 1.3670808367097755
Energy: 1.597047245162476
Energy: 1.4979964025769545
Energy: 1.597047245162476
Energy: 1.7332156671724437
Energy: 1.6005602030797912
Energy: 1.364752332721443
Energy: 1.6005602030808965
Energy: 1.7332156671724437
Energy: 1.6005602030797912
Energy: 1.5172687921949783
Energy: 1.6136475336200475
Energy: 1.5510021771329168
Energy: 1.6136475336189422
Energy: 1.5172687921949783
Energy: 1.6136475336189422
Energy: 1.727324703649273
Energy: 1.599334244872297
Energy: 1.3853789097080083
Energy: 1.599334244873402
Energy: 1.727324703649273
Energy: 1.599334244872297
Energy: 1.4979977806559581
Energy: 1.5970141040858967
Energy: 1.401846717412984
Energy: 1.5970141040858967
Energy: 1.4979977806570637
Energy: 1.597014104087002
Energy: 1.5452114937163404
Energy: 1.578715870598889
Energy: 1.36446207080258
Energy: 1.578715870598889
Energy: 1.5452114937163404
Energy: 1.578715870598889
Energy: 1.3659405418106425
Energy: 1.6162643461044233
Energy: 1.3672584113231177
Energy: 1.6162643461044233
Energy: 1.3659405418106425
Energy: 1.6162643461044233
Energy: 1.771780941525438
Energy: 1.584063637854108
Energy: 1.3646049494289334
Energy: 1.5840636378552133
Energy: 1.771780941526543
Energy: 1.584063637854108
Energy: 1.3687578012370525
Energy: 1.5974638612179595
Energy: 1.3647245162620691
Energy: 1.5974638612168541
Energy: 1.3687578012370525
Energy: 1.5974638612179595
Energy: 1.7351759961842592
Energy: 1.609072466636562
Energy: 1.4047367871436327
Energy: 1.6090724666354563
Energy: 1.7351759961842592
Energy: 1.609072466636562
Energy: 1.3664202778311434
Energy: 1.6172174176629046
Energy: 1.7322777230596547
Energy: 1.6172174176629046
Energy: 1.3664202778311434
Energy: 1.6172174176629046
Energy: 1.373411097523666
Energy: 1.5970843929989842
Energy: 1.3644462795839285
Energy: 1.5970843929989842
Energy: 1.373411097523666
Energy: 1.5970843930000893
Energy: 1.3689729623181908
Energy: 1.5829175078768636
Energy: 1.3649278547136952
Energy: 1.5829175078768636
Energy: 1.3689729623181908
Energy: 1.5829175078757585

minimum gb energy = 1.3643049972109436 eV
minimum distance =  2.23042187902055 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.9128035663768674
Energy: 1.5703892843208105
Energy: 1.3533153510317508
Energy: 1.5703892843208105
Energy: 1.9128035663759961
Energy: 1.5703892843208105
Energy: 2.043187946953655
Energy: 1.4697453331344144
Energy: 1.2690390375478908
Energy: 1.4697453331344144
Energy: 2.043187946953655
Energy: 1.4697453331352854
Energy: 1.3723488874661127
Energy: 1.505507879937659
Energy: 1.3205908465637062
Energy: 1.5055078799367878
Energy: 1.3723488874661127
Energy: 1.5055078799367878
Energy: 1.782042185760973
Energy: 1.4454042946539827
Energy: 1.2692227112369434
Energy: 1.445404294654854
Energy: 1.782042185760973
Energy: 1.4454042946539827
Energy: 1.357196521733967
Energy: 1.4616529474196707
Energy: 1.3986509165356031
Energy: 1.4616529474196707
Energy: 1.3571965217348383
Energy: 1.4616529474196707
Energy: 1.54277133999367
Energy: 1.4767740613147453
Energy: 1.2688647640437147
Energy: 1.4767740613147453
Energy: 1.54277133999367
Energy: 1.4767740613156166
Energy: 1.2688107608864516
Energy: 1.4991523936536952
Energy: 1.2691106350978805
Energy: 1.4991523936536952
Energy: 1.2688107608873227
Energy: 1.499152393654566
Energy: 1.58619781794527
Energy: 1.4983409131122134
Energy: 1.3044257208729315
Energy: 1.4983409131130845
Energy: 1.58619781794527
Energy: 1.4983409131130845
Energy: 1.2769395690576395
Energy: 1.4618208573000524
Energy: 1.4213093087518178
Energy: 1.4618208573009237
Energy: 1.2769395690567684
Energy: 1.4618208573000524
Energy: 1.544645662038658
Energy: 1.4980581912132642
Energy: 1.5885933564055676
Energy: 1.4980581912132642
Energy: 1.544645662038658
Energy: 1.4980581912132642
Energy: 1.5447294935560358
Energy: 1.4982397910751997
Energy: 1.588376638157066
Energy: 1.4982397910760707
Energy: 1.5447294935551648
Energy: 1.4982397910751997
Energy: 1.2796792088498006
Energy: 1.5341749155654383
Energy: 1.304676096478764
Energy: 1.5341749155654383
Energy: 1.2796792088498006
Energy: 1.5341749155654383
Energy: 1.2769975794282824
Energy: 1.477102344068645
Energy: 1.4211299924604042
Energy: 1.4771023440677737
Energy: 1.2769975794282824
Energy: 1.4771023440677737
Energy: 1.2717015257950217
Energy: 1.4977226817793032
Energy: 1.2688487919432705
Energy: 1.4977226817793032
Energy: 1.2717015257950217
Energy: 1.4977226817801743
Energy: 1.5442147103180577
Energy: 1.4776564937418488
Energy: 1.2691850009820174
Energy: 1.4776564937418488
Energy: 1.5442147103171864
Energy: 1.4776564937418488
Energy: 1.2687786864646926
Energy: 1.5343107205836124
Energy: 1.26908606855917
Energy: 1.5343107205836124
Energy: 1.2687786864646926
Energy: 1.5343107205836124
Energy: 1.5458552854073753
Energy: 1.4980991663323417
Energy: 1.2920259035478188
Energy: 1.4980991663323417
Energy: 1.5458552854065042
Energy: 1.4980991663323417
Energy: 1.3037734746634917
Energy: 1.4976960611750114
Energy: 1.2767259036754355
Energy: 1.4976960611750114
Energy: 1.3037734746634917
Energy: 1.4976960611750114
Energy: 2.0427538709402415
Energy: 1.4719218380845414
Energy: 1.269163924459367
Energy: 1.4719218380845414
Energy: 2.0427538709402415
Energy: 1.4719218380845414
Energy: 1.5885180303102469
Energy: 1.5339607597889116
Energy: 1.544832994094452
Energy: 1.5339607597889116
Energy: 1.5885180303102469
Energy: 1.5339607597889116
Energy: 2.0503160581089457
Energy: 1.4681153183347615
Energy: 1.2920147095458114
Energy: 1.4681153183347615
Energy: 2.0503160581089457
Energy: 1.4681153183347615
Energy: 1.3036928203448648
Energy: 1.4977069583314493
Energy: 1.2771631688344383
Energy: 1.4977069583314493
Energy: 1.3036928203474785
Energy: 1.4977069583314493
Energy: 1.5390739460196812
Energy: 1.4439319531790302
Energy: 1.2689719973753146
Energy: 1.4439319531790302
Energy: 1.53907394601881
Energy: 1.4439319531790302
Energy: 1.2696291289300645
Energy: 1.4698418959788127
Energy: 1.4111924694343732
Energy: 1.4698418959779413
Energy: 1.2696291289300645
Energy: 1.4698418959788127
Energy: 1.4130572603638967
Energy: 1.476081837661779
Energy: 1.2690539314992075
Energy: 1.47608183766265
Energy: 1.4130572603638967
Energy: 1.476081837661779
Energy: 1.2715668116669592
Energy: 1.469760153981664
Energy: 1.4080617621202831
Energy: 1.4697601539799217
Energy: 1.271566811666088
Energy: 1.4697601539799217
Energy: 1.5829448830408408
Energy: 1.4977894591780339
Energy: 1.304982138468016
Energy: 1.4977894591780339
Energy: 1.5829448830408408
Energy: 1.4977894591780339
Energy: 1.2799245651545044
Energy: 1.475564522072264
Energy: 1.5442531636118126
Energy: 1.475564522072264
Energy: 1.2799245651545044
Energy: 1.475564522072264
Energy: 1.5443711971590535
Energy: 1.4977442836284365
Energy: 1.5884958011980481
Energy: 1.4977442836284365
Energy: 1.5443711971590535
Energy: 1.4977442836284365
Energy: 1.271533601890921
Energy: 1.4885233509371478
Energy: 1.5881572367076113
Energy: 1.488523350938019
Energy: 1.2715336018900496
Energy: 1.4885233509371478
Energy: 1.276839369281428
Energy: 1.4976011513965013
Energy: 1.3049456061435498
Energy: 1.497601151398244
Energy: 1.276839369281428
Energy: 1.4976011513973726
Energy: 1.2794297116179758
Energy: 1.4766773105345499
Energy: 1.5440818344974696
Energy: 1.4766773105345499
Energy: 1.2794297116179758
Energy: 1.4766773105336788
Energy: 1.2690950256579505
Energy: 1.497551208758281
Energy: 1.268939369159039
Energy: 1.497551208758281
Energy: 1.2690950256579505
Energy: 1.497551208758281

minimum gb energy = 1.2687786864646926 eV
minimum distance =  2.21617950177087 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.6089955253850752
Energy: 1.3644675571082938
Energy: 1.2784803413239816
Energy: 1.3644675571089055
Energy: 1.6089955253850752
Energy: 1.3644675571082938
Energy: 2.204375177137869
Energy: 1.1618450414345491
Energy: 1.139536895066192
Energy: 1.161845041438829
Energy: 2.2043751771372575
Energy: 1.161845041435772
Energy: 1.5839948212088855
Energy: 1.36372569874751
Energy: 1.2777371133581226
Energy: 1.3637256987493442
Energy: 1.5839948212088855
Energy: 1.36372569874751
Energy: 1.8342659036037834
Energy: 1.1395600367347023
Energy: 1.1399413245699535
Energy: 1.1395600367347023
Energy: 1.8342659036037834
Energy: 1.1395600367353138
Energy: 1.213719370395491
Energy: 1.3424273489888923
Energy: 1.2668753452816575
Energy: 1.342427348990115
Energy: 1.2137193703948794
Energy: 1.3424273489888923
Energy: 1.6574443390903633
Energy: 1.2914434432587343
Energy: 1.13976122418249
Energy: 1.291443443258123
Energy: 1.6574443390903633
Energy: 1.2914434432587343
Energy: 1.1947094685227673
Energy: 1.3056416296962323
Energy: 1.1341283048894113
Energy: 1.3056416296968436
Energy: 1.1947094685227673
Energy: 1.3056416296962323
Energy: 1.4743097047726486
Energy: 1.298036474522109
Energy: 1.149912300403016
Energy: 1.298036474522109
Energy: 1.4743097047726486
Energy: 1.298036474522109
Energy: 1.1476903839476902
Energy: 1.3426891544111916
Energy: 1.2344472766832435
Energy: 1.3426891544099688
Energy: 1.1476903839476902
Energy: 1.3426891544105801
Energy: 1.3110579604355133
Energy: 1.3358773300265414
Energy: 1.3249971958878461
Energy: 1.3358773300253186
Energy: 1.3110579604355133
Energy: 1.3358773300265414
Energy: 1.1370549158823924
Energy: 1.3058959024555088
Energy: 1.3245997986897367
Energy: 1.30589590245612
Energy: 1.1370549158830041
Energy: 1.3058959024555088
Energy: 1.6488708043852218
Energy: 1.3539929518035667
Energy: 1.3549544777355924
Energy: 1.3539929518017324
Energy: 1.6488708043846103
Energy: 1.3539929518035667
Energy: 1.3141843485832545
Energy: 1.3314631099218668
Energy: 1.5064782213621837
Energy: 1.331463109922478
Energy: 1.314184348582643
Energy: 1.331463109922478
Energy: 1.3151233419742239
Energy: 1.3551355172520865
Energy: 1.6880800331752515
Energy: 1.355135517251475
Energy: 1.3151233419742239
Energy: 1.3551355172520865
Energy: 1.3142282052376884
Energy: 1.299824868404051
Energy: 1.687442185910471
Energy: 1.2998248684034397
Energy: 1.3142282052382996
Energy: 1.2998248684046625
Energy: 1.3147817767935726
Energy: 1.353198535297934
Energy: 1.356009863458988
Energy: 1.3531985352985454
Energy: 1.314781776792961
Energy: 1.3531985352985454
Energy: 1.3145542644658559
Energy: 1.3318515062378025
Energy: 1.5063253153993938
Energy: 1.3318515062371912
Energy: 1.3145542644658559
Energy: 1.3318515062371912
Energy: 1.1334078545404167
Energy: 1.3543995224955712
Energy: 1.3255534154015551
Energy: 1.3543995224949597
Energy: 1.1334078545404167
Energy: 1.3543995224955712
Energy: 1.314091001451634
Energy: 1.3258358481858565
Energy: 1.3246351421747027
Energy: 1.3258358481852448
Energy: 1.314091001451634
Energy: 1.3258358481864678
Energy: 1.1444295388910064
Energy: 1.3526242545266778
Energy: 1.1502003395613078
Energy: 1.3526242545272893
Energy: 1.1444295388910064
Energy: 1.3526242545266778
Energy: 1.3136861921597083
Energy: 1.3259785239022372
Energy: 1.2343720276232042
Energy: 1.3259785239022372
Energy: 1.3136861921590968
Energy: 1.3259785239016257
Energy: 1.1444863224958424
Energy: 1.3572616228532215
Energy: 1.1399469601250336
Energy: 1.3572616228532215
Energy: 1.1444863224970652
Energy: 1.35726162285261
Energy: 1.6624091081273211
Energy: 1.3350881094638456
Energy: 1.133745235691022
Energy: 1.3350881094626226
Energy: 1.6624091081273211
Energy: 1.3350881094638456
Energy: 1.1711095724653287
Energy: 1.3526477161659318
Energy: 1.1396306369225309
Energy: 1.3526477161665433
Energy: 1.1711095724671627
Energy: 1.3526477161659318
Energy: 1.6656251815567928
Energy: 1.314621153974027
Energy: 1.2278184685891187
Energy: 1.314621153974027
Energy: 1.6656251815567928
Energy: 1.3146211539734154
Energy: 1.3553943640543937
Energy: 1.3572571808451832
Energy: 1.1449523177179242
Energy: 1.3572571808451832
Energy: 1.3553943640556163
Energy: 1.3572571808451832
Energy: 2.214168676013407
Energy: 1.2259669832799704
Energy: 1.133687929027527
Energy: 1.2259669832811932
Energy: 2.214168676013407
Energy: 1.2259669832811932
Energy: 1.4017499786044816
Energy: 1.3526425720057114
Energy: 1.3147101021463756
Energy: 1.3526425720063229
Energy: 1.4017499786038705
Energy: 1.3526425720057114
Energy: 1.8470543051817119
Energy: 1.3142200793754377
Energy: 1.227645482460784
Energy: 1.3142200793729921
Energy: 1.8470543051804886
Energy: 1.3142200793748262
Energy: 1.3551970086754432
Energy: 1.3564534597341893
Energy: 1.3262581692872812
Energy: 1.3564534597341893
Energy: 1.3551970086754432
Energy: 1.3564534597341893
Energy: 1.8325923905352781
Energy: 1.139750195750582
Energy: 1.1332414968470776
Energy: 1.1397501957511933
Energy: 1.8325923905352781
Energy: 1.139750195750582
Energy: 1.1710806723477356
Energy: 1.33571601921953
Energy: 1.311757104509219
Energy: 1.335716019220753
Energy: 1.1710806723471243
Energy: 1.33571601921953
Energy: 1.4877743021899357
Energy: 1.291316794853352
Energy: 1.1442667994007651
Energy: 1.2913167948527406
Energy: 1.4877743021893242
Energy: 1.291316794853352
Energy: 1.144460992059014
Energy: 1.2979857239222936
Energy: 1.4798457229211022
Energy: 1.2979857239222936
Energy: 1.144460992060237
Energy: 1.297985723922905
Energy: 1.4796325321821167
Energy: 1.29822295908451
Energy: 1.1443845923186615
Energy: 1.298222959083287
Energy: 1.479632532182728
Energy: 1.29822295908451
Energy: 1.144322587729464
Energy: 1.2911824637161553
Energy: 1.487847399860368
Energy: 1.2911824637155438
Energy: 1.1443225877300756
Energy: 1.2911824637167666
Energy: 1.312105132395985
Energy: 1.335720829044578
Energy: 1.1711930003554936
Energy: 1.335720829044578
Energy: 1.312105132395985
Energy: 1.335720829044578
Energy: 1.1334301016438237
Energy: 1.1396961189800674
Energy: 1.832666568090899
Energy: 1.1396961189812904
Energy: 1.1334301016438237
Energy: 1.139696118981902
Energy: 1.3262581692823898
Energy: 1.356447637149153
Energy: 1.355560719831756
Energy: 1.356447637149153
Energy: 1.326258169281167
Energy: 1.356447637149764
Energy: 1.2755235317359044
Energy: 1.3140288838911567
Energy: 1.846764670785054
Energy: 1.3140288838911567
Energy: 1.2755235317371272
Energy: 1.3140288838911567
Energy: 1.3148589759275398
Energy: 1.3526422686149708
Energy: 1.4017950049894903
Energy: 1.3526422686149708
Energy: 1.3148589759263167
Energy: 1.3526422686149708
Energy: 1.133693090590281
Energy: 1.2259208195945768
Energy: 2.2141050859336437
Energy: 1.2259208195841826
Energy: 1.1336930905896696
Energy: 1.2259208195829598
Energy: 1.1449969492699923
Energy: 1.3571733579515464
Energy: 1.3550992496766407
Energy: 1.3571733579515464
Energy: 1.1449969492699923
Energy: 1.3571733579515464
Energy: 1.2759036656107265
Energy: 1.3146134339870095
Energy: 1.6656289162716402
Energy: 1.3146134339858422
Energy: 1.2759036656113378
Energy: 1.3146134339870095
Energy: 1.1397719474775452
Energy: 1.3526408181968335
Energy: 1.171125284748713
Energy: 1.3526408181980565
Energy: 1.1397719474781565
Energy: 1.3526408181968335
Energy: 1.1337442666937185
Energy: 1.3350881094620113
Energy: 1.6625631078258003
Energy: 1.3350881094638456
Energy: 1.1337442666937185
Energy: 1.3350881094620113
Energy: 1.1397658822373233
Energy: 1.3537820708682315
Energy: 1.1444849020570347
Energy: 1.3537820708700659
Energy: 1.1397658822367118
Energy: 1.3537820708682315

minimum gb energy = 1.1332414968470776 eV
minimum distance =  2.22794514278686 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.40847157830354225
Energy: 0.36849727953330624
Energy: 0.3493466049304825
Energy: 0.36849727953293476
Energy: 0.40847157830354225
Energy: 0.36849727953293476
Energy: 0.34862509148376064
Energy: 0.8646080478711893
Energy: 0.8666581735634524
Energy: 0.8646080478711893
Energy: 0.34862509148376064
Energy: 0.8646080478711893
Energy: 0.40847157830354225
Energy: 0.36849727953330624
Energy: 0.3493466048994635
Energy: 0.36849727953293476
Energy: 0.40847157830354225
Energy: 0.36849727953293476
Energy: 0.34862509148376064
Energy: 0.8646080478711893
Energy: 0.8666581735707892
Energy: 0.8646080478711893
Energy: 0.3486250914833427
Energy: 0.8646080478711893
Energy: 0.40847157830354225
Energy: 0.36849727953330624
Energy: 1.7612239345611451
Energy: 0.36849727953330624
Energy: 0.40847157830354225
Energy: 0.36849727953293476
Energy: 0.34862509148376064
Energy: 0.8646080478711893
Energy: 0.8666581735781492
Energy: 0.8646080478711893
Energy: 0.34862509148376064
Energy: 0.8646080478711893
Energy: 0.40847157830354225
Energy: 0.36849727953293476
Energy: 1.8106680947926468
Energy: 0.36849727953293476
Energy: 0.40847157830354225
Energy: 0.36849727953293476

minimum gb energy = 0.3486250914833427 eV
minimum distance =  2.38206245168383 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.7259118189978429
Energy: 1.408309254884483
Energy: 1.1383893772615379
Energy: 1.408309254883927
Energy: 1.7259118189978429
Energy: 1.408309254884483
Energy: 1.9932635495647495
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Energy: 1.1130900190311503
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Energy: 1.3397049636932519
Energy: 1.354784302355292
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Energy: 1.3397049636932519
Energy: 1.0994528827389543
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Energy: 1.0916135423404216
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Energy: 1.1127226471756402
Energy: 1.8693093106457408
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Energy: 1.2116121474676764
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Energy: 1.3862102593700298
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Energy: 1.371183300572037
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Energy: 1.0964151591364986
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Energy: 1.3509609094976716
Energy: 1.36888948678094
Energy: 1.6677509171926623
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Energy: 1.0690183528698547
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Energy: 1.6780469120850787
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Energy: 1.6780469120845225
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Energy: 1.6788932065334066
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Energy: 1.282791886461795
Energy: 1.3577116585066422
Energy: 1.6788932065322943
Energy: 1.3577116585077544
Energy: 1.7016049658057668
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Energy: 1.0821192779971807
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Energy: 1.7016049658057668
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Energy: 2.028635760335227
Energy: 1.3692278057914145
Energy: 1.0824003377796823
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Energy: 2.028635760334671
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Energy: 1.3785852084916306
Energy: 1.3369404926562307
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Energy: 1.0838475203816602
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Energy: 1.3510096000619396
Energy: 1.3670554808456508
Energy: 1.0658832666663487
Energy: 1.3670554808450948
Energy: 1.3510096000624956
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Energy: 1.3691291512478176
Energy: 1.098655152936748
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Energy: 1.667886546227666
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Energy: 1.3305545425431597
Energy: 1.3050135780564323
Energy: 1.3478085209156716
Energy: 1.3050135780564323
Energy: 1.3305545425437157
Energy: 1.3050135780564323
Energy: 1.3325611486987181
Energy: 1.1068252357838362
Energy: 1.1079797688554447
Energy: 1.1068252357804997
Energy: 1.3325611486987181
Energy: 1.1068252357816117
Energy: 1.1093450059382146
Energy: 1.3059338167501857
Energy: 1.3493404968564984
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Energy: 1.1093450059382146
Energy: 1.305933816750742
Energy: 1.3241061657342321
Energy: 1.3691738124882231
Energy: 1.330424701816315
Energy: 1.369173812487667
Energy: 1.3241061657353441
Energy: 1.3691738124887791
Energy: 1.0977446771461374
Energy: 1.0640760720624953
Energy: 1.6617405068699684
Energy: 1.0640760720641633
Energy: 1.0977446771461374
Energy: 1.0640760720624953
Energy: 1.0989551585599402
Energy: 1.317215431221351
Energy: 1.3586252989317618
Energy: 1.317215431221907
Energy: 1.098955158559384
Energy: 1.317215431221907
Energy: 1.085196808032813
Energy: 1.0810797909027587
Energy: 1.6920955930307462
Energy: 1.0810797909022025
Energy: 1.085196808032813
Energy: 1.0810797909027587
Energy: 1.0980262791360245
Energy: 1.3705144008256982
Energy: 1.6779375427915582
Energy: 1.3705144008273662
Energy: 1.0980262791354687
Energy: 1.3705144008262544
Energy: 1.0862690359997418
Energy: 1.1060011977597748
Energy: 1.8373217940259503
Energy: 1.106001197760331
Energy: 1.0862690360002982
Energy: 1.106001197760331
Energy: 1.0662369936058091
Energy: 1.3936566512531958
Energy: 1.7013203779292347
Energy: 1.3936566512526398
Energy: 1.0662369936058091
Energy: 1.3936566512531958
Energy: 1.0853888191017886
Energy: 1.073035485991703
Energy: 1.8566531222934015
Energy: 1.073035485991147
Energy: 1.0853888191017886
Energy: 1.073035485991147
Energy: 1.080619199861269
Energy: 1.3704543402633966
Energy: 1.6779901225000908
Energy: 1.3704543402628404
Energy: 1.080619199861269
Energy: 1.3704543402639526
Energy: 1.0864307490461038
Energy: 1.0820727569596253
Energy: 1.6940356562528727
Energy: 1.0820727569585131
Energy: 1.0864307490461038
Energy: 1.0820727569590691
Energy: 1.0686539051119313
Energy: 1.3175246237396026
Energy: 1.3584126963380612
Energy: 1.3175246237407148
Energy: 1.0686539051124873
Energy: 1.3175246237401586
Energy: 1.1020495409495443
Energy: 1.0674257407749432
Energy: 1.5247587121692914
Energy: 1.067425740773275
Energy: 1.1020495409506563
Energy: 1.0674257407743872
Energy: 1.3434396753725726
Energy: 1.1005794364144224
Energy: 1.3390815556472373
Energy: 1.1005794364155344
Energy: 1.3434396753731284
Energy: 1.1005794364144224

minimum gb energy = 1.0640760720624953 eV
minimum distance =  2.2288664492326 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.652433721961778
Energy: 1.5973148090643912
Energy: 1.285492368410889
Energy: 1.597314809065154
Energy: 1.6524337219610148
Energy: 1.597314809065154
Energy: 1.6121435316331598
Energy: 1.2629830220398153
Energy: 1.212243074980538
Energy: 1.2629830220398153
Energy: 1.6121435316331598
Energy: 1.2629830220398153
Energy: 1.6036397644218368
Energy: 1.505460947674928
Energy: 1.3939943714515655
Energy: 1.5054609476741647
Energy: 1.6036397644218368
Energy: 1.505460947674928
Energy: 1.5978577762248192
Energy: 1.2294195531652863
Energy: 1.2120703015638348
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Energy: 1.5978577762255826
Energy: 1.2294195531652863
Energy: 1.2709942729923154
Energy: 1.2128247587516023
Energy: 1.3125435914477248
Energy: 1.2128247587516023
Energy: 1.2709942729923154
Energy: 1.2128247587516023
Energy: 1.393583035463677
Energy: 1.1898411036171377
Energy: 1.2270899806236144
Energy: 1.1898411036163743
Energy: 1.393583035463677
Energy: 1.1898411036163743
Energy: 1.2488311459978643
Energy: 1.1907682177234005
Energy: 1.3925712335709681
Energy: 1.190768217724927
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Energy: 1.1933997785164563
Energy: 1.1955227681228495
Energy: 1.2533683615143993
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Energy: 1.1933997785156931
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Energy: 1.2297385692601395
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Energy: 1.2297385692609026
Energy: 1.2127992792867306
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Energy: 1.2223324277015704
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Energy: 1.8416015616133201
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Energy: 1.1928193014452786
Energy: 1.5367571265173374
Energy: 1.6329624802172715
Energy: 1.5367571265173374
Energy: 1.1928193014452786
Energy: 1.5367571265173374
Energy: 1.2298089463874806
Energy: 1.2213611593907854
Energy: 1.7132945638015267
Energy: 1.221361159389259
Energy: 1.2298089463874806
Energy: 1.221361159390022
Energy: 1.2285035073070796
Energy: 1.5110998261050044
Energy: 1.581466207056596
Energy: 1.5110998261057678
Energy: 1.2285035073070796
Energy: 1.5110998261050044
Energy: 1.2298222361675089
Energy: 1.2638676092746939
Energy: 1.5574897103934378
Energy: 1.2638676092746939
Energy: 1.2298222361675089
Energy: 1.2638676092739305
Energy: 1.2293465550920368
Energy: 1.536094380856908
Energy: 1.2534835350984983
Energy: 1.536094380856145
Energy: 1.2293465550920368
Energy: 1.536094380856145
Energy: 1.2295838934527406
Energy: 1.1906179052286534
Energy: 1.4983779414839231
Energy: 1.1906179052294166
Energy: 1.2295838934527406
Energy: 1.1906179052294166
Energy: 1.5575599016896653
Energy: 1.5121849058976289
Energy: 1.2271120327399399
Energy: 1.5121849058968655
Energy: 1.5575599016896653
Energy: 1.5121849058976289
Energy: 1.5577309443567386
Energy: 1.510933576061475
Energy: 1.1924823633376436
Energy: 1.5109335760622382
Energy: 1.5577309443567386
Energy: 1.5109335760622382
Energy: 1.577165726611531
Energy: 1.536320184775308
Energy: 1.2120351695801252
Energy: 1.5363201847760715
Energy: 1.577165726612294
Energy: 1.536320184775308
Energy: 1.5772580060934405
Energy: 1.5111532926072428
Energy: 1.4986765613742365
Energy: 1.5111532926072428
Energy: 1.5772580060934405
Energy: 1.5111532926072428
Energy: 2.0368647065881964
Energy: 1.5118568286610763
Energy: 1.2120067832903805
Energy: 1.5118568286603131
Energy: 2.0368647065881964
Energy: 1.5118568286618048
Energy: 2.0369037344285132
Energy: 1.511845237325999
Energy: 1.2116424197291844
Energy: 1.511845237325999
Energy: 2.0369037344285132
Energy: 1.5118452373252356
Energy: 1.5766878500888033
Energy: 1.5109297604438525
Energy: 1.3705833422645222
Energy: 1.5109297604430891
Energy: 1.5766878500888033
Energy: 1.5109297604438525
Energy: 1.5773157151769728
Energy: 1.5362528188306137
Energy: 1.2121174977253062
Energy: 1.5362528188298503
Energy: 1.5773157151769728
Energy: 1.5362528188306137
Energy: 1.5577387895099253
Energy: 1.510771776775717
Energy: 1.1925293652542923
Energy: 1.510771776775717
Energy: 1.5577387895099253
Energy: 1.510771776775717
Energy: 1.5576212326831254
Energy: 1.5123695822476517
Energy: 1.2271057047496752
Energy: 1.5123695822484147
Energy: 1.5576212326831254
Energy: 1.5123695822476517
Energy: 1.2296323737616734
Energy: 1.190783389479591
Energy: 1.3918546406430463
Energy: 1.190783389479591
Energy: 1.2296323737616734
Energy: 1.190783389479591
Energy: 1.2293386244856765
Energy: 1.5452003819795248
Energy: 1.2534919371408404
Energy: 1.5452003819795248
Energy: 1.2293386244856765
Energy: 1.5452003819795248
Energy: 1.2298134577804658
Energy: 1.2638676092739305
Energy: 1.5574386355132648
Energy: 1.2638676092731673
Energy: 1.2298134577797026
Energy: 1.2638676092739305
Energy: 1.2284855216942863
Energy: 1.5041247711647519
Energy: 1.5819543449579685
Energy: 1.5041247711655152
Energy: 1.2284855216942863
Energy: 1.5041247711655152
Energy: 1.2298299872800091
Energy: 1.2212331333873458
Energy: 1.6024160941583077
Energy: 1.221233133386583
Energy: 1.2298299872800091
Energy: 1.2212331333873458
Energy: 1.1922226084197511
Energy: 1.536914321833957
Energy: 1.6330672483748867
Energy: 1.53691432183472
Energy: 1.1922226084197511
Energy: 1.5369143218331935
Energy: 1.229026705203732
Energy: 1.2105960642109457
Energy: 1.8415662006024136
Energy: 1.2105960642101825
Energy: 1.229026705203732
Energy: 1.2105960642101825
Energy: 1.2223324277023335
Energy: 1.511010247351865
Energy: 1.5818922701541311
Energy: 1.511010247351865
Energy: 1.2223324277015704
Energy: 1.5110102473526281
Energy: 1.2297546059357507
Energy: 1.2120403507795912
Energy: 1.403240366440224
Energy: 1.2120403507788278
Energy: 1.2297546059357507
Energy: 1.2120403507795912
Energy: 1.193389361372254
Energy: 1.195308910135522
Energy: 1.253318036006678
Energy: 1.195308910135522
Energy: 1.193389361373017
Energy: 1.195308910135522
Energy: 1.2488310715018693
Energy: 1.1907677490101047
Energy: 1.392550753928167
Energy: 1.1907677490093416
Energy: 1.2488310715018693
Energy: 1.1907677490062887

minimum gb energy = 1.1898411036163743 eV
minimum distance =  2.2115498842659 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.847463050064012
Energy: 1.6868134118718499
Energy: 1.406784979119226
Energy: 1.6868134118718499
Energy: 1.847463050064012
Energy: 1.6868134118718499
Energy: 1.7407838929361419
Energy: 1.3298246347366003
Energy: 1.3016607047755975
Energy: 1.3298246347366003
Energy: 1.7407838929361419
Energy: 1.3298246347366003
Energy: 1.3796997734117655
Energy: 1.6461378707909753
Energy: 1.4871120465573213
Energy: 1.6461378707909753
Energy: 1.3796997734117655
Energy: 1.6461378707909753
Energy: 1.511929756697469
Energy: 1.3182129822871937
Energy: 1.3017529770375633
Energy: 1.3182129822871937
Energy: 1.5119297566965315
Energy: 1.3182129822871937
Energy: 1.3323415441617426
Energy: 1.2752092568308075
Energy: 1.4162761534068182
Energy: 1.27520925682987
Energy: 1.3323415441617426
Energy: 1.2752092568279951
Energy: 1.2753042385762918
Energy: 1.2752859761930981
Energy: 1.3158684395710765
Energy: 1.2752859761930981
Energy: 1.2753042385762918
Energy: 1.2752859761930981
Energy: 1.3178456912488905
Energy: 1.2872927288064535
Energy: 1.5348857766120034
Energy: 1.287292728805516
Energy: 1.3178456912488905
Energy: 1.2872927288064535
Energy: 1.32966450388017
Energy: 1.2867855203651382
Energy: 1.3681034412435271
Energy: 1.2867855203651382
Energy: 1.32966450388017
Energy: 1.2867855203651382
Energy: 1.2972513704478081
Energy: 1.297590788547527
Energy: 1.6557985465484457
Energy: 1.297590788547527
Energy: 1.2972513704478081
Energy: 1.297590788547527
Energy: 1.2756202426216998
Energy: 1.6560922714604165
Energy: 1.7747039197524659
Energy: 1.6560922714604165
Energy: 1.2756202426216998
Energy: 1.656092271461354
Energy: 1.317878889892611
Energy: 1.6541251895152076
Energy: 1.5354599708898924
Energy: 1.6541251895152076
Energy: 1.317878889892611
Energy: 1.6541251895152076
Energy: 1.2753614736988206
Energy: 1.2866155189719715
Energy: 1.3683273001661733
Energy: 1.2866155189719715
Energy: 1.2753614736988206
Energy: 1.2866155189719715
Energy: 1.2758294246494821
Energy: 1.2766627673253217
Energy: 1.6670294687264107
Energy: 1.2766627673253217
Energy: 1.2758294246494821
Energy: 1.2766627673253217
Energy: 1.2871432670086012
Energy: 1.6623846561394
Energy: 1.3159349855274214
Energy: 1.6623846561394
Energy: 1.2871432670086012
Energy: 1.6623846561394
Energy: 1.3180718828234304
Energy: 1.2751990734162184
Energy: 1.2757896318061075
Energy: 1.2751990734162184
Energy: 1.3180718828234304
Energy: 1.2751990734162184
Energy: 1.7412401607966481
Energy: 1.2874785534818491
Energy: 1.301720606836681
Energy: 1.2874785534818491
Energy: 1.7412401607966481
Energy: 1.2874785534818491
Energy: 1.7407088824115782
Energy: 1.2867304293708923
Energy: 1.6667849536673014
Energy: 1.2867304293708923
Energy: 1.7407088824115782
Energy: 1.2867304293708923
Energy: 1.776242042034261
Energy: 1.6616878087334999
Energy: 1.2996616639372003
Energy: 1.6616878087334999
Energy: 1.776242042034261
Energy: 1.6616878087334999
Energy: 1.7747199389947281
Energy: 1.6629246059609506
Energy: 1.3011111174929608
Energy: 1.6629246059609506
Energy: 1.7747199389947281
Energy: 1.6629246059609506
Energy: 1.741666287784123
Energy: 1.6523055512506573
Energy: 1.3018556087149453
Energy: 1.6523055512506573
Energy: 1.741666287784123
Energy: 1.6523055512506573
Energy: 1.7405275931045543
Energy: 1.7314352367623875
Energy: 1.3014544846787384
Energy: 1.7314352367623875
Energy: 1.7405275931045543
Energy: 1.7314352367623875
Energy: 1.28656771384625
Energy: 1.6385508455421796
Energy: 1.2753106156347804
Energy: 1.6385508455421796
Energy: 1.28656771384625
Energy: 1.6385508455421796
Energy: 1.3186964724163643
Energy: 1.662722497616623
Energy: 1.3157425677421573
Energy: 1.662722497616623
Energy: 1.3186964724163643
Energy: 1.662722497616623
Energy: 1.2756406627016839
Energy: 1.651062282826605
Energy: 1.2873810532137253
Energy: 1.651062282826605
Energy: 1.2756406627016839
Energy: 1.651062282826605
Energy: 1.3146809553224899
Energy: 1.73164662236409
Energy: 1.3688458323879364
Energy: 1.73164662236409
Energy: 1.3146809553224899
Energy: 1.73164662236409
Energy: 1.3013397684350754
Energy: 1.6589439527146916
Energy: 1.7408602850237125
Energy: 1.6589439527146916
Energy: 1.3013397684350754
Energy: 1.6589439527146916
Energy: 1.276384692718854
Energy: 1.6557853858664249
Energy: 1.7776196094043049
Energy: 1.6557853858664249
Energy: 1.2763846927197915
Energy: 1.6557853858664249
Energy: 1.3011716817695014
Energy: 1.665469393502718
Energy: 1.5950168753936906
Energy: 1.665469393502718
Energy: 1.3011716817704388
Energy: 1.665469393502718
Energy: 1.3317946177679663
Energy: 1.2866620700412066
Energy: 1.3687705989396919
Energy: 1.2866620700412066
Energy: 1.3317946177679663
Energy: 1.2866620700412066
Energy: 1.3011644172724146
Energy: 1.287436164790317
Energy: 1.5357262075152835
Energy: 1.287436164790317
Energy: 1.3011644172724146
Energy: 1.287436164790317
Energy: 1.277657358757646
Energy: 1.275398606794553
Energy: 1.3156213115832052
Energy: 1.275398606794553
Energy: 1.277657358757646
Energy: 1.275398606794553

minimum gb energy = 1.2751990734162184 eV
minimum distance =  2.2071607191851 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.5285162937198409
Energy: 1.8228416732055444
Energy: 1.3836961944284498
Energy: 1.8228416732055444
Energy: 1.5285162937198409
Energy: 1.8228416732055444
Energy: 1.724331930940705
Energy: 1.4594831227601424
Energy: 1.4197402537585653
Energy: 1.4594831227601424
Energy: 1.724331930940705
Energy: 1.4594831227601424
Energy: 1.448915035443635
Energy: 1.8081322086259772
Energy: 1.6079486719266296
Energy: 1.8081322086259772
Energy: 1.448915035443635
Energy: 1.8081322086259772
Energy: 1.393215856592066
Energy: 1.3842714099084241
Energy: 1.4199035139634515
Energy: 1.3842714099072102
Energy: 1.3932158565908523
Energy: 1.3842714099084241
Energy: 1.4336305330474322
Energy: 1.4499834183880755
Energy: 1.3939859308561136
Energy: 1.4499834183868616
Energy: 1.4336305330474322
Energy: 1.4499834183880755
Energy: 1.3839918252970693
Energy: 1.7989778635382296
Energy: 1.4355575202449993
Energy: 1.7989778635382296
Energy: 1.3839918252970693
Energy: 1.7989778635382296
Energy: 1.4012939069500758
Energy: 1.6232399464126468
Energy: 1.7245716646274096
Energy: 1.623239946411433
Energy: 1.4012939069500758
Energy: 1.6232399464126468
Energy: 1.3840829055261943
Energy: 1.8121614596621765
Energy: 1.5198818876570956
Energy: 1.8121614596621765
Energy: 1.3840829055261943
Energy: 1.8121614596621765
Energy: 1.4340183381684322
Energy: 1.4617059482913868
Energy: 1.394394001371203
Energy: 1.4617059482913868
Energy: 1.4340183381684322
Energy: 1.4617059482913868
Energy: 1.383495136081496
Energy: 1.797706075074232
Energy: 1.435651670624801
Energy: 1.797706075074232
Energy: 1.383495136081496
Energy: 1.797706075074232
Energy: 1.3833281491174103
Energy: 1.3836610446360849
Energy: 1.3837735941196763
Energy: 1.3836610446360849
Energy: 1.3833281491174103
Energy: 1.3836610446360849
Energy: 1.4082556876164494
Energy: 1.6326197354691387
Energy: 1.4197341703831834
Energy: 1.6326197354691387
Energy: 1.4082556876164494
Energy: 1.6326197354691387
Energy: 1.434284953727178
Energy: 1.8017130910488999
Energy: 1.4162396963033674
Energy: 1.8017130910488999
Energy: 1.434284953727178
Energy: 1.8017130910488999
Energy: 1.72368905696543
Energy: 1.8111316524584997
Energy: 1.4115478404146393
Energy: 1.8111316524584997
Energy: 1.72368905696543
Energy: 1.8111316524584997
Energy: 2.007855377564527
Energy: 1.812389344540946
Energy: 1.3836456765315799
Energy: 1.812389344540946
Energy: 2.007855377564527
Energy: 1.812389344540946
Energy: 1.4077160306530503
Energy: 1.3831375133477664
Energy: 1.420207003761282
Energy: 1.3831375133501942
Energy: 1.407716030654264
Energy: 1.3831375133453387
Energy: 1.4347564040468233
Energy: 1.6325954457828051
Energy: 1.383403017362256
Energy: 1.6325954457828051
Energy: 1.4347564040468233
Energy: 1.6325954457828051
Energy: 1.3832682198830766
Energy: 1.8161437764927943
Energy: 1.3863370945949196
Energy: 1.8161437764927943
Energy: 1.3832682198830766
Energy: 1.8161437764927943
Energy: 1.38337561471824
Energy: 1.6325936581350207
Energy: 1.4345660833360532
Energy: 1.6325936581350207
Energy: 1.38337561471824
Energy: 1.6325936581350207
Energy: 1.4202073329197007
Energy: 1.3832046231607262
Energy: 1.4079124699340912
Energy: 1.3832046231607262
Energy: 1.4202073329184868
Energy: 1.3832046231607262
Energy: 1.3835617268065465
Energy: 1.8123988685655814
Energy: 2.0082635307610914
Energy: 1.8123988685655814
Energy: 1.3835617268065465
Energy: 1.8123988685655814
Energy: 1.4112805709226306
Energy: 1.5211142810978266
Energy: 1.723917187397839
Energy: 1.5211142810978266
Energy: 1.4112805709226306
Energy: 1.5211142810978266
Energy: 1.4148564972321809
Energy: 1.801705125228399
Energy: 1.434276128253003
Energy: 1.801705125228399
Energy: 1.4148564972321809
Energy: 1.801705125228399
Energy: 1.419796053426643
Energy: 1.6324442225172906
Energy: 1.4086731147766813
Energy: 1.6324442225172906
Energy: 1.419796053426643
Energy: 1.6324442225185043

minimum gb energy = 1.3831375133453387 eV
minimum distance =  2.17559665257828 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.6061263646889279
Energy: 1.5942616945155526
Energy: 1.5154493685186257
Energy: 1.5942616945155526
Energy: 1.6061263646889279
Energy: 1.5942616945155526
Energy: 1.5401579596499648
Energy: 1.531469151899697
Energy: 1.5330534020171942
Energy: 1.531469151899697
Energy: 1.5401579596499648
Energy: 1.531469151899697
Energy: 1.6080631141440371
Energy: 1.5761603279878624
Energy: 1.7388122256435712
Energy: 1.5761603279878624
Energy: 1.6080631141440371
Energy: 1.5761603279878624
Energy: 1.5159713427915327
Energy: 1.5090483476122967
Energy: 1.5086876767259403
Energy: 1.5090483476122967
Energy: 1.5159713427898158
Energy: 1.5090483476122967
Energy: 1.5302463218862652
Energy: 1.5308647766577594
Energy: 1.5404211208808167
Energy: 1.5308647766577594
Energy: 1.5302463218862652
Energy: 1.5308647766577594
Energy: 1.5218919074229353
Energy: 1.5767894813943497
Energy: 1.5739540858844656
Energy: 1.5767894813943497
Energy: 1.5218919074229353
Energy: 1.5767894813943497
Energy: 1.5572155358483708
Energy: 1.6523708299332946
Energy: 1.541760348806142
Energy: 1.6523708299332946
Energy: 1.5572155358483708
Energy: 1.6523708299332946
Energy: 1.5094037472450257
Energy: 1.8611232712621868
Energy: 1.509080915674633
Energy: 1.8611232712621868
Energy: 1.5094037472433093
Energy: 1.8611232712621868
Energy: 1.508470446360439
Energy: 1.5086876515734786
Energy: 1.5544302409495088
Energy: 1.5086876515734786
Energy: 1.5084704463587224
Energy: 1.5086876515734786
Energy: 1.5770103013383605
Energy: 1.522404631029436
Energy: 1.5327009792504955
Energy: 1.522404631029436
Energy: 1.5770103013383605
Energy: 1.522404631029436
Energy: 1.576049921542868
Energy: 1.5087481678337469
Energy: 1.5091235346339884
Energy: 1.5087481678337469
Energy: 1.576049921542868
Energy: 1.5087481678337469
Energy: 1.5092278358727333
Energy: 1.5093420897286247
Energy: 1.5227885752282302
Energy: 1.5093420897286247
Energy: 1.5092278358727333
Energy: 1.5093420897286247
Energy: 1.5084744531658054
Energy: 1.7191092393456833
Energy: 1.510385739888242
Energy: 1.7191092393456833
Energy: 1.5084744531658054
Energy: 1.7191092393456833
Energy: 1.522163102866623
Energy: 1.5093698372986213
Energy: 1.5084158109931316
Energy: 1.5093698373003377
Energy: 1.522163102866623
Energy: 1.5093698372986213
Energy: 1.5096659041488192
Energy: 1.646774907664419
Energy: 1.5747839621525663
Energy: 1.6467749076627025
Energy: 1.5096659041488192
Energy: 1.646774907664419
Energy: 1.5090866161231442
Energy: 1.5083508366566123
Energy: 1.5740841753781518
Energy: 1.5083508366531793
Energy: 1.5090866161231442
Energy: 1.5083508366566123
Energy: 1.5222479594142992
Energy: 1.5099606613195986
Energy: 1.5102246471243825
Energy: 1.5099606613195986
Energy: 1.5222479594142992
Energy: 1.5099606613195986

minimum gb energy = 1.5083508366531793 eV
minimum distance =  2.19274906603936 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 2.1549590111628634
Energy: 2.0886624812947483
Energy: 1.9553262443866253
Energy: 2.088662481295411
Energy: 2.154959011163526
Energy: 2.0886624812947483
Energy: 1.85801172117728
Energy: 1.5910013331306798
Energy: 1.5879452004591903
Energy: 1.5910013331306798
Energy: 1.85801172117728
Energy: 1.5910013331306798
Energy: 1.6328080994217282
Energy: 1.6462219856620164
Energy: 1.5892903072430247
Energy: 1.6462219856620164
Energy: 1.6328080994217282
Energy: 1.6462219856620164
Energy: 1.6047648712049398
Energy: 1.9385528514119283
Energy: 1.7369210192286384
Energy: 1.9385528514119283
Energy: 1.6047648712049398
Energy: 1.9385528514119283
Energy: 1.6020757443786202
Energy: 1.5972866639631367
Energy: 1.6414045379934827
Energy: 1.5972866639638
Energy: 1.6020757443786202
Energy: 1.5972866639638
Energy: 1.6947767236467144
Energy: 1.9577736595157196
Energy: 1.775172745270578
Energy: 1.9577736595163824
Energy: 1.6947767236467144
Energy: 1.9577736595157196
Energy: 1.589751310530071
Energy: 1.6203888639931046
Energy: 1.836542309459864
Energy: 1.6203888639931046
Energy: 1.5897513105294079
Energy: 1.6203888639931046
Energy: 1.7905056824794157
Energy: 1.5692057428298265
Energy: 1.5898557079126876
Energy: 1.5692057428298265
Energy: 1.7905056824807413
Energy: 1.5692057428291637
Energy: 1.7813653489930312
Energy: 1.9564165302508014
Energy: 1.5795616693152814
Energy: 1.9564165302508014
Energy: 1.7813653489923682
Energy: 1.9564165302508014
Energy: 1.6228043288555387
Energy: 1.6025372111116614
Energy: 1.580143586838368
Energy: 1.6025372111109986
Energy: 1.6228043288562015
Energy: 1.6025372111109986
Energy: 1.7369859583258176
Energy: 1.95845908960493
Energy: 1.7215472212258671
Energy: 1.9584590896055931
Energy: 1.7369859583258176
Energy: 1.95845908960493
Energy: 1.5935186389814249
Energy: 1.908479194064351
Energy: 1.6121287234418704
Energy: 1.908479194065014
Energy: 1.5935186389814249
Energy: 1.908479194064351
Energy: 1.5813452262575824
Energy: 1.5847703878043788
Energy: 1.8816487893741054
Energy: 1.584770387803716
Energy: 1.5813452262575824
Energy: 1.584770387803716
Energy: 1.5857157866602445
Energy: 1.852897051629321
Energy: 2.0277196552556394
Energy: 1.852897051629321
Energy: 1.5857157866602445
Energy: 1.852897051629321
Energy: 1.5750685921416534
Energy: 1.5854235339792584
Energy: 1.7214860982347056
Energy: 1.5854235339792584
Energy: 1.5750685921416534
Energy: 1.5854235339792584
Energy: 1.737418193845372
Energy: 1.9973922545460445
Energy: 1.612245479376135
Energy: 1.9973922545467075
Energy: 1.737418193845372
Energy: 1.9973922545460445
Energy: 1.7378805385567442
Energy: 1.9806517117007485
Energy: 1.5736385275105538
Energy: 1.9806517117007485
Energy: 1.7378805385567442
Energy: 1.9806517117007485
Energy: 2.0952997277805077
Energy: 1.8091641381531982
Energy: 1.5846002456203971
Energy: 1.8091641381531982
Energy: 2.0952997277805077
Energy: 1.8091641381531982
Energy: 1.9284350875173353
Energy: 1.7967175943701668
Energy: 1.588521106728929
Energy: 1.7967175943701668
Energy: 1.9284350875166723
Energy: 1.7967175943701668
Energy: 1.591356268403421
Energy: 1.9592016465272677
Energy: 1.5910738431982276
Energy: 1.9592016465272677
Energy: 1.591356268403421
Energy: 1.9592016465272677
Energy: 1.5902556939429047
Energy: 1.8455288494046376
Energy: 2.098428422014469
Energy: 1.8455288494059632
Energy: 1.5902556939429047
Energy: 1.8455288493808035
Energy: 1.5819431054254378
Energy: 1.617505087712521
Energy: 2.0950595171767517
Energy: 1.6175050876946533
Energy: 1.5819431054254378
Energy: 1.6175050877032406
Energy: 1.5716575202326175
Energy: 1.6912569145902474
Energy: 1.7379860139129955
Energy: 1.6912569145902474
Energy: 1.5716575202326175
Energy: 1.6912569145902474
Energy: 1.6101212390297046
Energy: 1.8989715912092477
Energy: 1.7371720607882009
Energy: 1.8989715912092477
Energy: 1.6101212390297046
Energy: 1.8989715912092477
Energy: 1.7213053621972683
Energy: 1.5853984065450848
Energy: 1.5882471542290881
Energy: 1.5853984065450848
Energy: 1.7213053621972683
Energy: 1.5853984065450848
Energy: 2.1270925773727387
Energy: 1.8860137077894064
Energy: 1.5897263719886068
Energy: 1.8860137077887433
Energy: 2.1270925773727387
Energy: 1.8860137077887433
Energy: 1.9313375813339546
Energy: 1.579841597253487
Energy: 1.5828445087164933
Energy: 1.5798415972528241
Energy: 1.9313375813326288
Energy: 1.5798415972528241
Energy: 1.6100634853509954
Energy: 1.9123442768582404
Energy: 1.595282543279931
Energy: 1.9123442768582404
Energy: 1.6100634853516584
Energy: 1.9123442768582404
Energy: 1.6997747568103931
Energy: 1.9401509226221785
Energy: 1.7370978556643903
Energy: 1.9401509226221785
Energy: 1.699774756811056
Energy: 1.9401509226221785
Energy: 1.5763858813678062
Energy: 1.6050053995369429
Energy: 1.6222196683236088
Energy: 1.6050053995369429
Energy: 1.5763858813678062
Energy: 1.6050053995369429
Energy: 1.5754283576969392
Energy: 1.9296685649398027
Energy: 1.7814370369376022
Energy: 1.9296685649398027
Energy: 1.5754283576969392
Energy: 1.9296685649398027
Energy: 1.5880750660317613
Energy: 1.5724436527840928
Energy: 1.840691393384954
Energy: 1.5724436527847556
Energy: 1.5880750660317613
Energy: 1.5724436527847556
Energy: 1.687292675858368
Energy: 1.617461911885459
Energy: 1.5882241929766927
Energy: 1.617461911885459
Energy: 1.687292675858368
Energy: 1.617461911885459
Energy: 1.775303832504672
Energy: 1.9577170180661796
Energy: 1.6938126362108732
Energy: 1.9577170180661796
Energy: 1.775303832504672
Energy: 1.9577170180661796
Energy: 1.828547917905858
Energy: 1.6185356851013446
Energy: 1.6018910364827679
Energy: 1.6185356851013446
Energy: 1.828547917905195
Energy: 1.6185356851006818
Energy: 1.7369174509645726
Energy: 1.9388652671864581
Energy: 1.5739029461241
Energy: 1.9388652671864581
Energy: 1.7369174509652354
Energy: 1.9388652671864581
Energy: 1.6037696968802548
Energy: 1.618507042067758
Energy: 1.6327973268439342
Energy: 1.618507042067758
Energy: 1.6037696968802548
Energy: 1.6185070420684209
Energy: 1.5895742791891365
Energy: 1.5877421722338918
Energy: 1.6112796870967614
Energy: 1.5877421722338918
Energy: 1.5895742791897995
Energy: 1.5877421722338918
Energy: 1.783835546655094
Energy: 2.055379369429521
Energy: 2.0539152867753496
Energy: 2.055379369429521
Energy: 1.7838355466557572
Energy: 2.055379369429521
Energy: 1.5951208794371923
Energy: 1.5920105045983035
Energy: 1.85801172117728
Energy: 1.5920105045983035
Energy: 1.5951208794365292
Energy: 1.5920105045983035
Energy: 1.5889223945874547
Energy: 1.6462219856626792
Energy: 1.6328080994217282
Energy: 1.6462219856620164
Energy: 1.5889223945861286
Energy: 1.6462219856620164
Energy: 1.7367398967044465
Energy: 1.938718061339729
Energy: 1.6047648712049398
Energy: 1.938718061339729
Energy: 1.7367398967051093
Energy: 1.938718061339729
Energy: 1.642292170730273
Energy: 1.6185356851013446
Energy: 1.6020757443792828
Energy: 1.6185356851013446
Energy: 1.6422921707276215
Energy: 1.6185356851013446

minimum gb energy = 1.5692057428291637 eV
minimum distance =  2.1690593680881 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.7275122468434503
Energy: 2.0125945603937123
Energy: 1.8247594509125946
Energy: 2.012594560392633
Energy: 1.7275122468434503
Energy: 2.0125945603937123
Energy: 1.6497978426735163
Energy: 1.581120677127343
Energy: 1.580980323425916
Energy: 1.581120677127343
Energy: 1.6497978426735163
Energy: 1.5811206771284223
Energy: 1.5694993421308487
Energy: 1.6860082028397512
Energy: 1.6215264563673444
Energy: 1.6860082028386716
Energy: 1.569499342131928
Energy: 1.6860082028397512
Energy: 1.7240762307909903
Energy: 1.6587538884844186
Energy: 1.6529208484004472
Energy: 1.6587538884844186
Energy: 1.7240762307909903
Energy: 1.658753888485498
Energy: 1.568419958200574
Energy: 1.646167424106489
Energy: 1.6783414429440051
Energy: 1.646167424106489
Energy: 1.568419958201653
Energy: 1.6461674241054098
Energy: 1.6583094978135708
Energy: 1.6599615957145024
Energy: 1.6530772638018674
Energy: 1.6599615957155818
Energy: 1.6583094978124915
Energy: 1.6599615957166611
Energy: 1.5680917066370221
Energy: 1.6611661198233676
Energy: 1.581322694989383
Energy: 1.6611661198233676
Energy: 1.5680917066370221
Energy: 1.6611661198244467
Energy: 1.5688098049646988
Energy: 1.6140676930325473
Energy: 1.580879319774848
Energy: 1.614067693031468
Energy: 1.5688098049668577
Energy: 1.6140676930325473
Energy: 1.706303589696244
Energy: 2.014161032751282
Energy: 1.5781925178179004
Energy: 2.014161032750203
Energy: 1.7063035896973233
Energy: 2.014161032750203
Energy: 1.6215184074777156
Energy: 1.575408663001207
Energy: 1.576388077452739
Energy: 1.5754086630001276
Energy: 1.6215184074841424
Energy: 1.575408663001207
Energy: 1.568139413507623
Energy: 1.8002468550524482
Energy: 1.6605369169742232
Energy: 1.800246855054607
Energy: 1.568139413507623
Energy: 1.8002468550556863
Energy: 1.6213390731207398
Energy: 1.6563314960886186
Energy: 1.6607971208332402
Energy: 1.6563314960886186
Energy: 1.6213390731218194
Energy: 1.6563314960875393
Energy: 1.5714469581406425
Energy: 1.8523578608571805
Energy: 1.6607161040536516
Energy: 1.8523578608582596
Energy: 1.5714469581406425
Energy: 1.8523578608604185
Energy: 1.6594730209854018
Energy: 1.7466461297724458
Energy: 1.660845654294079
Energy: 1.7466461297724458
Energy: 1.6594730209854018
Energy: 1.7466461297724458
Energy: 1.569580586913262
Energy: 1.6585783328512493
Energy: 1.5742457783196275
Energy: 1.6585783328512493
Energy: 1.569580586913262
Energy: 1.6585783328512493
Energy: 1.5736525903748289
Energy: 1.8625425480957862
Energy: 1.5791750978579429
Energy: 1.8625425480957862
Energy: 1.573652590379146
Energy: 1.8625425480968656
Energy: 1.7000096926772439
Energy: 1.8692819908990348
Energy: 1.5729414292975692
Energy: 1.8692819908979559
Energy: 1.7000096926772439
Energy: 1.8692819908979559
Energy: 1.6593384121003358
Energy: 1.6587948874859932
Energy: 1.5761914144160698
Energy: 1.6587948874827552
Energy: 1.6593384121003358
Energy: 1.6587948874838343
Energy: 1.5697138990099084
Energy: 1.8012263851873775
Energy: 1.653241589903392
Energy: 1.8012263851862982
Energy: 1.5697138990099084
Energy: 1.8012263851862982
Energy: 1.675836853855631
Energy: 1.8520833720053869
Energy: 1.6530104656293467
Energy: 1.8520833720064662
Energy: 1.675836853855631
Energy: 1.8520833720053869
Energy: 1.5736785262712187
Energy: 1.8518985255847222
Energy: 1.6529627088569188
Energy: 1.851898525583643
Energy: 1.5736785262712187
Energy: 1.8518985255847222
Energy: 1.5741226415434544
Energy: 1.802478731516969
Energy: 1.653101757900776
Energy: 1.802478731516969
Energy: 1.5741226415434544
Energy: 1.802478731516969
Energy: 1.5771559440716785
Energy: 1.6583121501054199
Energy: 1.5718948523388654
Energy: 1.6583121501054199
Energy: 1.5771559440716785
Energy: 1.6583121501054199
Energy: 1.6975422906783466
Energy: 1.8687113929902646
Energy: 1.572846578047052
Energy: 1.8687113929902646
Energy: 1.6975422906783466
Energy: 1.8687113929902646
Energy: 1.6974977118128778
Energy: 1.6978485285047429
Energy: 1.5739093002076865
Energy: 1.6978485285058222
Energy: 1.6974977118128778
Energy: 1.6978485285058222
Energy: 1.5742088585945224
Energy: 1.6580864080824713
Energy: 1.5720406007663432
Energy: 1.6580864080824713
Energy: 1.5742088585945224
Energy: 1.6580864080824713
Energy: 1.577261587482174
Energy: 1.8048969927882197
Energy: 1.6561273832070331
Energy: 1.8048969927882197
Energy: 1.577261587482174
Energy: 1.804896992789299

minimum gb energy = 1.5680917066370221 eV
minimum distance =  2.15380931983839 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.7661799036336772
Energy: 1.9778602157876306
Energy: 1.6518793692213756
Energy: 1.9778602157876306
Energy: 1.7661799036336772
Energy: 1.9778602157876306
Energy: 1.6496278205813817
Energy: 1.6165774104729373
Energy: 1.5922287335689276
Energy: 1.6165774104729373
Energy: 1.6496278205813817
Energy: 1.6165774104729373
Energy: 1.593853943535763
Energy: 1.700179521125753
Energy: 1.5907520917752738
Energy: 1.7001795211241804
Energy: 1.593853943535763
Energy: 1.7001795211249666
Energy: 1.6522015322686119
Energy: 1.9506645950714785
Energy: 1.7111573665908242
Energy: 1.950664595070692
Energy: 1.6522015322686119
Energy: 1.9506645950714785
Energy: 1.5967776440568626
Energy: 1.6512402840699127
Energy: 1.6839421540272688
Energy: 1.6512402840706992
Energy: 1.5967776440568626
Energy: 1.6512402840699127
Energy: 1.6858244521209194
Energy: 1.688385973168534
Energy: 1.6063342988602376
Energy: 1.6883859731693207
Energy: 1.6858244521209194
Energy: 1.688385973168534
Energy: 1.6067509804021534
Energy: 1.6898299445355505
Energy: 1.6029252553931654
Energy: 1.6898299445355505
Energy: 1.6067509804029396
Energy: 1.6898299445355505
Energy: 1.7186467999487665
Energy: 1.6852490636023996
Energy: 1.598423876352431
Energy: 1.6852490636023996
Energy: 1.7186467999487665
Energy: 1.6852490636023996
Energy: 1.7090815550987923
Energy: 1.950491569306175
Energy: 1.6989507110867796
Energy: 1.9504915693069613
Energy: 1.7090815550995788
Energy: 1.950491569306175
Energy: 1.826341354803454
Energy: 1.7002172976837597
Energy: 1.5925853417177531
Energy: 1.7002172976829735
Energy: 1.8263413548042402
Energy: 1.7002172976837597
Energy: 1.591897152505496
Energy: 1.6485894530122363
Energy: 1.9279676371332368
Energy: 1.6485894530122363
Energy: 1.591897152505496
Energy: 1.6485894530122363
Energy: 1.6025731091237858
Energy: 1.978449722077564
Energy: 1.7606677006510616
Energy: 1.9784497220783506
Energy: 1.6025731091237858
Energy: 1.978449722077564
Energy: 1.5980541315129313
Energy: 1.6095736815415125
Energy: 1.6989791208965468
Energy: 1.6095736815407262
Energy: 1.5980541315129313
Energy: 1.6095736815415125
Energy: 1.7053181489315683
Energy: 1.782914324752988
Energy: 1.5927850217931903
Energy: 1.782914324752988
Energy: 1.7053181489315683
Energy: 1.7829143247537744
Energy: 1.7050528774044373
Energy: 1.9515998707213547
Energy: 1.6028284493569878
Energy: 1.9515998707213547
Energy: 1.7050528774036509
Energy: 1.9515998707213547
Energy: 1.685214651823829
Energy: 1.7014087897401617
Energy: 1.5995011656742602
Energy: 1.7014087897393755
Energy: 1.685214651823829
Energy: 1.7014087897401617
Energy: 1.6101054904893517
Energy: 1.8027342831364639
Energy: 1.6855567517106584
Energy: 1.8027342831356774
Energy: 1.6101054904893517
Energy: 1.8027342831356774
Energy: 1.6030356999660398
Energy: 1.6870508091728433
Energy: 1.6127716833685048
Energy: 1.6870508091728433
Energy: 1.6030356999660398
Energy: 1.6870508091736298
Energy: 1.6083799528102825
Energy: 1.6023957321979103
Energy: 1.7047508303378935
Energy: 1.602395732197124
Energy: 1.6083799528102825
Energy: 1.6023957321979103
Energy: 1.5914139997423253
Energy: 1.8677539615394672
Energy: 1.7050866895215613
Energy: 1.8677539615402536
Energy: 1.5914139997423253
Energy: 1.8677539615394672
Energy: 1.5903257076120811
Energy: 1.7006964120703083
Energy: 1.6021583882476604
Energy: 1.7006964120710943
Energy: 1.5903257076112947
Energy: 1.7006964120703083
Energy: 1.9263247008080346
Energy: 1.7886747184010057
Energy: 1.5928313463701724
Energy: 1.7886747184017924
Energy: 1.9263247006736297
Energy: 1.7886747184010057
Energy: 1.9502430647902664
Energy: 1.5912990195861858
Energy: 1.603126537706744
Energy: 1.5912990195861858
Energy: 1.9502430647910527
Energy: 1.5912990195861858
Energy: 1.5973997352495575
Energy: 1.6996455960977863
Energy: 1.6020758589819961
Energy: 1.699645596097
Energy: 1.5973997352495575
Energy: 1.6996455960977863
Energy: 1.5902466171518153
Energy: 1.7404381364273986
Energy: 1.711725895687093
Energy: 1.7404381364273986
Energy: 1.5902466171518153
Energy: 1.7404381364273986
Energy: 1.6137648409513543
Energy: 1.760690180766536
Energy: 1.7085309435917146
Energy: 1.760690180766536
Energy: 1.6137648409521403
Energy: 1.7606901807673228
Energy: 1.593162424911194
Energy: 1.8645218237042644
Energy: 1.6879091068920997
Energy: 1.864521823705051
Energy: 1.5931624249119802
Energy: 1.8645218237042644
Energy: 1.686037126830155
Energy: 1.7098769740801982
Energy: 1.6860354474664343
Energy: 1.7098769740801982
Energy: 1.686037126830155
Energy: 1.7098769740801982
Energy: 1.687897998878325
Energy: 1.864559860773692
Energy: 1.616042499388981
Energy: 1.8645598607729414
Energy: 1.687897998878325
Energy: 1.864559860773692
Energy: 1.7085278902160002
Energy: 1.7604932532930906
Energy: 1.6139457006095856
Energy: 1.7604932532930906
Energy: 1.7085278902160002
Energy: 1.7604932532930906
Energy: 1.711709110473454
Energy: 1.7404826202379216
Energy: 1.5902883412055497
Energy: 1.7404826202371353
Energy: 1.711709110473454
Energy: 1.7404826202379216
Energy: 1.60208492303305
Energy: 1.7003751605355306
Energy: 1.597386857402248
Energy: 1.7003751605363167
Energy: 1.60208492303305
Energy: 1.7003751605355306
Energy: 1.6029658167118952
Energy: 1.5913318620832715
Energy: 1.9501143625630748
Energy: 1.5913318620816987
Energy: 1.6029658167118952
Energy: 1.5913318620832715
Energy: 1.5929302616738066
Energy: 1.788660915659219
Energy: 1.9262327743506038
Energy: 1.788660915659219
Energy: 1.5929302616738066
Energy: 1.7886609156584323
Energy: 1.6022926863137963
Energy: 1.7007591724753641
Energy: 1.5903783830482412
Energy: 1.7007591724753641
Energy: 1.6022926863137963
Energy: 1.7007591724745779
Energy: 1.7051201777358032
Energy: 1.8678855060862236
Energy: 1.591434182351468
Energy: 1.8678855060870097
Energy: 1.7051201777358032
Energy: 1.8678855060862236

minimum gb energy = 1.5902466171518153 eV
minimum distance =  2.15544024451921 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.5364369482465177
Energy: 1.5378728448456023
Energy: 1.7270876273314086
Energy: 1.5378728448458978
Energy: 1.5364369482465177
Energy: 1.5378728448456023
Energy: 1.5366547127219703
Energy: 1.5372132174785715
Energy: 1.536514484250282
Energy: 1.5372132174785715
Energy: 1.5366547127213792
Energy: 1.5372132174785715
Energy: 1.5364749801738429
Energy: 1.5372135956581625
Energy: 1.9846305358482976
Energy: 1.5372135956581625
Energy: 1.5364749801741058
Energy: 1.5372135956581625
Energy: 1.7268900010652541
Energy: 1.5378728448456023
Energy: 1.5364369482465177
Energy: 1.5378728448456023
Energy: 1.726890001064663
Energy: 1.5378728448453067
Energy: 1.536514484250282
Energy: 1.537213217478276
Energy: 1.5366547127219703
Energy: 1.5372132174785715
Energy: 1.536514484250282
Energy: 1.5372132174785715
Energy: 1.9846305358482976
Energy: 1.5372135956581625
Energy: 1.5364749801741058
Energy: 1.5372135956581625
Energy: 1.984630535848002
Energy: 1.5372135956581625
Energy: 1.5364369482462223
Energy: 1.5378728448456023
Energy: 1.726890001064105
Energy: 1.5378728448456023
Energy: 1.5364369482465177
Energy: 1.5378728448458978
Energy: 1.536654712722824
Energy: 1.537213217478834
Energy: 1.536514484250282
Energy: 1.537213217478834
Energy: 1.5366547127213792
Energy: 1.5372132174785715
Energy: 1.5364749801738429
Energy: 1.5372135956581625
Energy: 1.984630535848002
Energy: 1.537213595657867
Energy: 1.5364749801741058
Energy: 1.5372135956581625
Energy: 1.72689000106555
Energy: 1.5378728448461936
Energy: 1.5364369482462223
Energy: 1.5378728448458978
Energy: 1.7268900010658124
Energy: 1.5378728448453067

minimum gb energy = 1.5364369482462223 eV
minimum distance =  2.25049840917079 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 2.050826082104493
Energy: 2.0247671992721403
Energy: 1.6679103988860098
Energy: 2.0247671992721403
Energy: 2.050826082104493
Energy: 2.0247671992721403
Energy: 1.631602008970077
Energy: 1.6611041127174382
Energy: 1.5857235396229896
Energy: 1.661104112718303
Energy: 1.6316020089718064
Energy: 1.661104112718303
Energy: 1.6126831351691882
Energy: 1.6199277829633545
Energy: 1.6978508284234322
Energy: 1.6199277829624896
Energy: 1.6126831351691882
Energy: 1.6199277829633545
Energy: 1.7031745441982016
Energy: 1.8015913451646692
Energy: 1.6559284605518936
Energy: 1.8015913451646692
Energy: 1.7031745441973367
Energy: 1.8015913451646692
Energy: 1.6311801973906275
Energy: 1.6354941018880413
Energy: 1.7793996290160803
Energy: 1.6354941018871763
Energy: 1.6311801973906275
Energy: 1.6354941018880413
Energy: 1.806785205545278
Energy: 1.6862872826546367
Energy: 1.5881548898411924
Energy: 1.6862872826555013
Energy: 1.8067852055444131
Energy: 1.6862872826546367
Energy: 1.6313807881409035
Energy: 1.635567743873259
Energy: 1.8204579478516691
Energy: 1.635567743873259
Energy: 1.6313807881409035
Energy: 1.6355677438741238
Energy: 1.6300665907053493
Energy: 1.8016573040965975
Energy: 1.651979606141518
Energy: 1.8016573040965975
Energy: 1.6300665907053493
Energy: 1.8016573040957327
Energy: 1.6139628352283222
Energy: 1.6192801929085745
Energy: 1.9675164998010681
Energy: 1.6192801929077099
Energy: 1.6139628352283222
Energy: 1.6192801929077099
Energy: 1.6134954754014506
Energy: 1.6624698418837247
Energy: 1.5872026563731245
Energy: 1.6624698418845891
Energy: 1.6134954754014506
Energy: 1.6624698418845891
Energy: 2.0027782616530665
Energy: 1.6965400949451592
Energy: 1.6564495859841957
Energy: 1.6965400949468885
Energy: 2.0027782616530665
Energy: 1.6965400949451592
Energy: 2.0014608155882576
Energy: 1.701326414537555
Energy: 1.586007218199963
Energy: 1.701326414537555
Energy: 2.0014608155882576
Energy: 1.7013264145366902
Energy: 1.6188674291395986
Energy: 1.734449608074616
Energy: 1.585881075095714
Energy: 1.734449608074616
Energy: 1.6188674291395986
Energy: 1.7344496080754808
Energy: 1.6141849121907461
Energy: 1.704676816524129
Energy: 1.6515815707696175
Energy: 1.704676816524994
Energy: 1.6141849121907461
Energy: 1.704676816524129
Energy: 1.629432128074228
Energy: 1.706301530029889
Energy: 1.6515447480644072
Energy: 1.7063015300307538
Energy: 1.629432128074228
Energy: 1.7063015300307538
Energy: 1.6296522830135858
Energy: 1.6613919642854884
Energy: 1.5872043580225863
Energy: 1.6613919642863533
Energy: 1.6296522830135858
Energy: 1.6613919642863533
Energy: 1.629825325981709
Energy: 1.7072231734254972
Energy: 1.5872681569797988
Energy: 1.7072231734254972
Energy: 1.629825325981709
Energy: 1.7072231734246326
Energy: 1.6295476219633067
Energy: 1.7449023032543638
Energy: 1.6514851233419592
Energy: 1.7449023032543638
Energy: 1.629547621962442
Energy: 1.7449023032543638
Energy: 1.6141850040837822
Energy: 1.7051661767462416
Energy: 1.6515912126166217
Energy: 1.705166176745377
Energy: 1.6141850040829175
Energy: 1.705166176745377
Energy: 1.614053418676541
Energy: 1.6601236858354953
Energy: 1.5863923860004068
Energy: 1.6601236858346307
Energy: 1.614053418676541
Energy: 1.6601236858354953
Energy: 2.0013729687563955
Energy: 1.7015879093273139
Energy: 1.5863600125107993
Energy: 1.7015879093273139
Energy: 2.001372968755531
Energy: 1.7015879093264494
Energy: 2.0012412796912527
Energy: 1.7054682267841803
Energy: 1.6562562768076545
Energy: 1.7054682267833157
Energy: 2.0012412796912527
Energy: 1.7054682267841803
Energy: 1.615601270620363
Energy: 1.6613768196086838
Energy: 1.5863314320736759
Energy: 1.6613768196086838
Energy: 1.6156012706194984
Energy: 1.6613768196086838
Energy: 1.615158090480526
Energy: 1.6190565630873834
Energy: 1.9673938537037856
Energy: 1.619056563086519
Energy: 1.6151580904796614
Energy: 1.619056563086519
Energy: 1.6297204554609566
Energy: 1.7375278998708752
Energy: 1.6534279136618042
Energy: 1.7375278998708752
Energy: 1.6297204554609566
Energy: 1.7375278998708752
Energy: 1.629564438727073
Energy: 1.620096997787636
Energy: 1.6914037565537703
Energy: 1.620096997787636
Energy: 1.6295644387279375
Energy: 1.620096997787636
Energy: 1.6299420775206956
Energy: 1.6610882177839408
Energy: 1.5895059300976473
Energy: 1.6610882177848056
Energy: 1.629942077519831
Energy: 1.6610882177873998
Energy: 1.6294138355366954
Energy: 1.6351739251818378
Energy: 1.9685311589696137
Energy: 1.6351739251827024
Energy: 1.62941383553756
Energy: 1.6351739251818378
Energy: 1.730667558588982
Energy: 1.8014133452748702
Energy: 1.6525908924460473
Energy: 1.8014133452757346
Energy: 1.730667558588982
Energy: 1.8014133452757346
Energy: 1.612767061826728
Energy: 1.619793297035086
Energy: 1.7794912873946809
Energy: 1.6197932970359503
Energy: 1.6127670618275927
Energy: 1.619793297035086
Energy: 1.741591236032066
Energy: 1.6626849953935032
Energy: 1.587684660449858
Energy: 1.6626849953935032
Energy: 1.7415912360294719
Energy: 1.6626849953935032
Energy: 2.001371579077106
Energy: 1.8191779865810136
Energy: 1.6568436949268601
Energy: 1.819177986585337
Energy: 2.001371579077971
Energy: 1.8191779865870663
Energy: 1.62959810480415
Energy: 1.6589122622947157
Energy: 1.5851856958452815
Energy: 1.6589122622947157
Energy: 1.629598104803285
Energy: 1.6589122622947157

minimum gb energy = 1.5851856958452815 eV
minimum distance =  2.17985027134871 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.8062211760721998
Energy: 1.9013473538095063
Energy: 2.1261239518645385
Energy: 1.9013473538107382
Energy: 1.8062211760721998
Energy: 1.9013473538095063
Energy: 1.697095497388008
Energy: 1.7367854771330005
Energy: 1.6112371209373657
Energy: 1.7367854771330005
Energy: 1.697095497388008
Energy: 1.7367854771330005
Energy: 1.5947842869427662
Energy: 1.675861325413541
Energy: 1.8122243682552006
Energy: 1.675861325413541
Energy: 1.5947842869427662
Energy: 1.675861325413541
Energy: 1.777669620828076
Energy: 1.6510050258020117
Energy: 1.722228322835887
Energy: 1.6510050258020117
Energy: 1.777669620828076
Energy: 1.6510050258020117
Energy: 1.7188064552385987
Energy: 1.649694730845087
Energy: 1.8181486790024481
Energy: 1.649694730845087
Energy: 1.7188064552385987
Energy: 1.649694730845087
Energy: 1.7170901618579644
Energy: 1.6089843138184736
Energy: 1.5945954579166612
Energy: 1.6089843138172417
Energy: 1.7170901618579644
Energy: 1.6089843138172417
Energy: 1.5985157419256155
Energy: 1.6084000967904806
Energy: 1.6058501245549055
Energy: 1.6084000967892484
Energy: 1.5985157419256155
Energy: 1.6084000967904806
Energy: 1.7114241527903942
Energy: 1.89105608993165
Energy: 2.022047122539123
Energy: 1.891056089932882
Energy: 1.711424152789162
Energy: 1.89105608993165
Energy: 1.7106153202061773
Energy: 1.6084558888211336
Energy: 2.028243979235059
Energy: 1.6084558888211336
Energy: 1.7106153202061773
Energy: 1.608455888822366
Energy: 1.7131883949386508
Energy: 1.6080279203699983
Energy: 1.6072948340588096
Energy: 1.6080279203699983
Energy: 1.7131883949386508
Energy: 1.6080279203699983
Energy: 1.7186186375088484
Energy: 1.6104496432053799
Energy: 1.6109702548055642
Energy: 1.6104496432042035
Energy: 1.7186186375088484
Energy: 1.6104496432042035
Energy: 1.7199788421538376
Energy: 1.6591320818439883
Energy: 1.718468467305345
Energy: 1.6591320818439883
Energy: 1.7199788421526054
Energy: 1.6591320818439883
Energy: 1.612294827033173
Energy: 1.6085346742045346
Energy: 1.7180495517985186
Energy: 1.6085346742057667
Energy: 1.612294827033173
Energy: 1.6085346742045346
Energy: 1.6077012159468584
Energy: 1.6505480590668813
Energy: 1.7125327286706493
Energy: 1.6505480590656492
Energy: 1.6077012159456265
Energy: 1.6505480590668813
Energy: 2.0484861248293904
Energy: 1.765123678917617
Energy: 1.7113256917655935
Energy: 1.765123678917617
Energy: 2.0484861248306228
Energy: 1.765123678917617
Energy: 2.055363908859764
Energy: 1.6750982848973623
Energy: 1.7112838875844032
Energy: 1.6750982848973623
Energy: 2.055363908858532
Energy: 1.6750982848961304
Energy: 1.6062244446828036
Energy: 1.6080732609855353
Energy: 1.6004598456059078
Energy: 1.6080732609855353
Energy: 1.6062244446840357
Energy: 1.6080732609855353
Energy: 1.5947499021039289
Energy: 1.6096673069033387
Energy: 1.7176466599310065
Energy: 1.6096673069021068
Energy: 1.5947499021039289
Energy: 1.6096673069033387
Energy: 2.0243798746915127
Energy: 1.6508702400861797
Energy: 1.7189451427164224
Energy: 1.6508702400849473
Energy: 2.024379874692745
Energy: 1.6508702400861797
Energy: 1.7233331321647392
Energy: 1.650148150028863
Energy: 1.7865319288661758
Energy: 1.6501481500300952
Energy: 1.7233331321647392
Energy: 1.650148150028863
Energy: 1.917888679410144
Energy: 1.6420704190356554
Energy: 1.5959516029922658
Energy: 1.6420704190356554
Energy: 1.9178886794089118
Energy: 1.6420704190368876
Energy: 1.6112102987301808
Energy: 1.7362864929333446
Energy: 1.8117762135800017
Energy: 1.7362864929333446
Energy: 1.6112102987301808
Energy: 1.7362864929345765
Energy: 1.9619709785641095
Energy: 2.102985642152824
Energy: 1.6543486675447905
Energy: 2.102985642151592
Energy: 1.9619709785653412
Energy: 2.102985642151592

minimum gb energy = 1.5945954579166612 eV
minimum distance =  2.16276092176732 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.8734329814191164
Energy: 1.5845278940485374
Energy: 2.0079761878116162
Energy: 1.5845278940485374
Energy: 1.873432981419898
Energy: 1.5845278940477558
Energy: 1.9741151421122123
Energy: 1.844556948322349
Energy: 1.5545878379271454
Energy: 1.844556948322349
Energy: 1.9741151421122123
Energy: 1.844556948322349
Energy: 1.552037140884105
Energy: 1.6067168738306723
Energy: 1.870259650889011
Energy: 1.6067168738306723
Energy: 1.552037140884105
Energy: 1.6067168738306723
Energy: 1.6201914436962597
Energy: 1.5503062923829196
Energy: 1.5680976807146723
Energy: 1.550306292382138
Energy: 1.6201914436962597
Energy: 1.5503062923829196
Energy: 1.7905558976692268
Energy: 1.5499278689456373
Energy: 1.7675936382591604
Energy: 1.5499278689432927
Energy: 1.7905558976684453
Energy: 1.5499278689425111
Energy: 1.7874901426128738
Energy: 1.7539665932054769
Energy: 1.5546726204588086
Energy: 1.7539665932054769
Energy: 1.7874901426136556
Energy: 1.6598677015411596
Energy: 1.552120655731219
Energy: 1.5633061183481984
Energy: 1.5652449607049599
Energy: 1.5633061183481984
Energy: 1.552120655731219
Energy: 1.5633061183481984
Energy: 1.5649383397045005
Energy: 1.5505393742630067
Energy: 1.7876913774220462
Energy: 1.5505393742630067
Energy: 1.5649383397045005
Energy: 1.5505393742630067
Energy: 1.7691721919587209
Energy: 1.7581577280232656
Energy: 1.7877401377732112
Energy: 1.7581577280224838
Energy: 1.7691721919587209
Energy: 1.758157728024047
Energy: 1.5634891523721146
Energy: 1.5910609473211939
Energy: 1.5533822242077675
Energy: 1.591060947320412
Energy: 1.5634891523728962
Energy: 1.5910609473211939
Energy: 1.5482332304790836
Energy: 1.564574517671069
Energy: 1.5656133514806316
Energy: 1.5645745176702874
Energy: 1.5482332304790836
Energy: 1.564574517671069
Energy: 1.5477554281148789
Energy: 1.6099643516872988
Energy: 2.0603524151166233
Energy: 1.609964351686517
Energy: 1.5477554281148789
Energy: 1.6099643516872988
Energy: 1.7780097705988662
Energy: 1.5674631850933962
Energy: 1.8425720882622627
Energy: 1.5674631851051202
Energy: 1.7780097705996476
Energy: 1.5674631851074654
Energy: 1.5548044042540736
Energy: 1.5647936436424128
Energy: 1.5537124998773373
Energy: 1.5647936436431944
Energy: 1.5548044042540736
Energy: 1.5647936436424128
Energy: 1.8260969185391038
Energy: 1.606098629123325
Energy: 1.5503781741080345
Energy: 1.606098629123325
Energy: 1.8260969185383225
Energy: 1.6060986291241064
Energy: 1.567887374432589
Energy: 1.687172025872361
Energy: 1.975556816314614
Energy: 1.687172025872361
Energy: 1.5678873744333708
Energy: 1.6871720258715794
Energy: 2.008237862204596
Energy: 1.5512312707136628
Energy: 1.872185110611289
Energy: 1.5512312707167895
Energy: 2.008237862204596
Energy: 1.5512312707120997
Energy: 1.5504883623702896
Energy: 1.5629701628403412
Energy: 1.8428188154769745
Energy: 1.5629701628411228
Energy: 1.5504883623702896
Energy: 1.5629701628403412
Energy: 1.8004510572458559
Energy: 1.5627265875646472
Energy: 1.5501872133479329
Energy: 1.5627265875638658
Energy: 1.8004510572458559
Energy: 1.5627265875638658
Energy: 1.7901252178650242
Energy: 1.550627815974458
Energy: 1.5658290290921657
Energy: 1.550627815974458
Energy: 1.7901252178650242
Energy: 1.5506278159760214
Energy: 1.8823922933575212
Energy: 1.7287486266301384
Energy: 1.5641721891932783
Energy: 1.7287486266301384
Energy: 1.8823922933567396
Energy: 1.7287486266301384
Energy: 1.5505923058354865
Energy: 1.5628088395779913
Energy: 1.7677607790083203
Energy: 1.5628088395779913
Energy: 1.5505923058354865
Energy: 1.5628088395779913
Energy: 1.5650599596587584
Energy: 1.5646981051852493
Energy: 1.5513203031900458
Energy: 1.5646981051852493
Energy: 1.5650599596587584
Energy: 1.564698105184468
Energy: 1.84369746169114
Energy: 1.5553767823027143
Energy: 1.547124549166726
Energy: 1.5553767823034956
Energy: 1.84369746169114
Energy: 1.5553767823034956
Energy: 2.0581194111595034
Energy: 1.6091919403240116
Energy: 1.5482908404401419
Energy: 1.60919194032323
Energy: 2.0581194111602854
Energy: 1.6091919403240116
Energy: 1.5648925953121646
Energy: 1.6803495526864032
Energy: 1.5477819243822681
Energy: 1.6803495526864032
Energy: 1.5648925953129462
Energy: 1.6803495526864032
Energy: 1.5521597885738174
Energy: 1.5637386114921188
Energy: 1.7688928809497295
Energy: 1.5637386114921188
Energy: 1.5521597885738174
Energy: 1.5637386114929002
Energy: 1.7874365281636369
Energy: 1.6079559084030655
Energy: 1.5634463934992748
Energy: 1.6079559084030655
Energy: 1.7874365281636369
Energy: 1.607955908403847
Energy: 1.7901053955026678
Energy: 1.5499009764315508
Energy: 1.5651973792554774
Energy: 1.5499009764323326
Energy: 1.7901053955034494
Energy: 1.5499009764315508
Energy: 1.5650754466521895
Energy: 1.5628097362036124
Energy: 1.5503312469326753
Energy: 1.5628097362051754
Energy: 1.5650754466521895
Energy: 1.5628097362043938
Energy: 1.551864640907145
Energy: 1.7531222774528221
Energy: 1.8709459188171882
Energy: 1.7531222774528221
Energy: 1.551864640907145
Energy: 1.753122277453604
Energy: 1.767877100323612
Energy: 1.58130472538842
Energy: 1.7905107139650116
Energy: 1.581304725386857
Energy: 1.7678771003228302
Energy: 1.5813047253852937
Energy: 1.5689838275407884
Energy: 1.8203666040393227
Energy: 1.9675384404925265
Energy: 1.8203666040393227
Energy: 1.5689838275407884
Energy: 1.8203666040393227
Energy: 1.8419388654255757
Energy: 1.6063009898149712
Energy: 1.5508712409245036
Energy: 1.6063009898165344
Energy: 1.8419388654208864
Energy: 1.6063009898149712
Energy: 1.555566807881717
Energy: 1.5647085604860278
Energy: 1.8201677475611118
Energy: 1.564708560485246
Energy: 1.555566807881717
Energy: 1.5647085604860278
Energy: 1.778316440227907
Energy: 1.5674233601075525
Energy: 1.8427303649233038
Energy: 1.5674233601583567
Energy: 1.7783164402271254
Energy: 1.5674233600950822
Energy: 1.5507767256472849
Energy: 1.5901170495115946
Energy: 2.058024348345866
Energy: 1.5901170495115946
Energy: 1.5507767256472849
Energy: 1.5901170495123762

minimum gb energy = 1.547124549166726 eV
minimum distance =  2.18714972770688 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.391068747481474
Energy: 1.3391761460433125
Energy: 2.1562903290452216
Energy: 1.3391761460433125
Energy: 1.391068747481474
Energy: 1.3391761460433125
Energy: 1.894443501454194
Energy: 1.3336980593861798
Energy: 1.3508447549577705
Energy: 1.3336980593861798
Energy: 1.894443501454194
Energy: 1.3336980593883137
Energy: 1.3913762293116578
Energy: 1.4985757799043564
Energy: 1.620546035194549
Energy: 1.4985757799043564
Energy: 1.3913762293116578
Energy: 1.4985757799043564
Energy: 1.895168779456927
Energy: 1.3336474222479653
Energy: 1.350921675235253
Energy: 1.3336474222479653
Energy: 1.895168779456927
Energy: 1.3336474222479653
Energy: 1.391581322693614
Energy: 1.3331456233765084
Energy: 1.3527090989687833
Energy: 1.3331456233765084
Energy: 1.3915813226914802
Energy: 1.3331456233765084
Energy: 1.3935479726201943
Energy: 1.3596087608597485
Energy: 1.3521598290527326
Energy: 1.3596087608597485
Energy: 1.3935479726201943
Energy: 1.3596087608597485
Energy: 1.895769808743894
Energy: 1.3333281626081372
Energy: 1.3527833525251631
Energy: 1.3333281626081372
Energy: 1.895769808743894
Energy: 1.3333281626081372
Energy: 1.3956764911207884
Energy: 1.3370054998655392
Energy: 1.3517642875647524
Energy: 1.3370054998634053
Energy: 1.3956764911207884
Energy: 1.3370054998655392
Energy: 1.895645397840286
Energy: 1.36252896112683
Energy: 1.352315213106352
Energy: 1.36252896112683
Energy: 1.895645397840286
Energy: 1.36252896112683
Energy: 1.3961510647238076
Energy: 1.7699102210182174
Energy: 1.3528566971684692
Energy: 1.7699102210182174
Energy: 1.3961510647259416
Energy: 1.7699102210182174
Energy: 1.8921403391430964
Energy: 1.3376746303967888
Energy: 1.3518219650688643
Energy: 1.3376746303946547
Energy: 1.8921403391430964
Energy: 1.3376746303946547
Energy: 1.3953300110673594
Energy: 1.5019044373989523
Energy: 1.961055967358451
Energy: 1.5019044373989523
Energy: 1.3953300110673594
Energy: 1.5019044373989523
Energy: 1.8921244350925381
Energy: 1.3376780980038532
Energy: 1.3518161457756503
Energy: 1.3376780980038532
Energy: 1.8921244350925381
Energy: 1.3376780980038532
Energy: 1.3960761662428334
Energy: 1.7698993055738221
Energy: 1.3528863613549154
Energy: 1.769899305571688
Energy: 1.3960761662428334
Energy: 1.7698993055738221

minimum gb energy = 1.3331456233765084 eV
minimum distance =  2.18312553897071 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.9130380470818722
Energy: 1.5922022646399376
Energy: 1.9453159770352766
Energy: 1.5922022646399376
Energy: 1.9130380470828097
Energy: 1.5922022646399376
Energy: 1.6520307223538289
Energy: 1.8202751739012937
Energy: 1.563735512748794
Energy: 1.8202751739003562
Energy: 1.6520307223538289
Energy: 1.8202751739012937
Energy: 1.563916678148514
Energy: 1.588231504841346
Energy: 1.5636902098935104
Energy: 1.588231504841346
Energy: 1.563916678148514
Energy: 1.588231504841346
Energy: 1.5772695792549447
Energy: 1.5866052674915367
Energy: 1.5642354927188122
Energy: 1.5866052674905995
Energy: 1.5772695792549447
Energy: 1.5866052674905995
Energy: 1.762702975545843
Energy: 1.7165140748051926
Energy: 1.577227682920439
Energy: 1.7165140748042766
Energy: 1.762702975545843
Energy: 1.7165140748042766
Energy: 1.6158769222664777
Energy: 1.7511081612811932
Energy: 1.7631287620733445
Energy: 1.7511081612802557
Energy: 1.6158769222655402
Energy: 1.7511081612811932
Energy: 1.5774720667960433
Energy: 1.888749926943512
Energy: 1.6144591222149736
Energy: 1.8887499269444497
Energy: 1.5774720667960433
Energy: 1.888749926943512
Energy: 1.5651956164993364
Energy: 1.5866420860677186
Energy: 1.5640179033673165
Energy: 1.5866420860677186
Energy: 1.5651956164993364
Energy: 1.5866420860677186
Energy: 1.7423768525100833
Energy: 1.648891715778393
Energy: 1.5640465632898752
Energy: 1.648891715778393
Energy: 1.7423768525119583
Energy: 1.648891715778393
Energy: 1.5642049272357348
Energy: 1.8207841731920442
Energy: 1.6711115367609133
Energy: 1.8207841731920442
Energy: 1.5642049272357348
Energy: 1.8207841731920442
Energy: 1.662177343236269
Energy: 1.5903556199191973
Energy: 1.8184608655390093
Energy: 1.5903556199191973
Energy: 1.662177343236269
Energy: 1.5903556199191973
Energy: 1.5644525826385502
Energy: 1.757825222222747
Energy: 1.818598272546356
Energy: 1.7578252222218096
Energy: 1.5644525826385502
Energy: 1.7578252222218096
Energy: 1.5636652403359412
Energy: 1.7058359315775382
Energy: 1.7776493482144837
Energy: 1.7058359315775382
Energy: 1.5636652403359412
Energy: 1.7058359315775382
Energy: 1.5778053989436664
Energy: 1.6490075644004736
Energy: 1.57870924907682
Energy: 1.6490075644004736
Energy: 1.5778053989436664
Energy: 1.6490075644004736
Energy: 1.5637005525900574
Energy: 1.8371083158481698
Energy: 1.7403360017821534
Energy: 1.8371083158481698
Energy: 1.5637005525891197
Energy: 1.8371083158481698
Energy: 1.8094760124266074
Energy: 1.899464030114459
Energy: 1.6147292247105167
Energy: 1.899464030114459
Energy: 1.8094760124266074
Energy: 1.899464030114459
Energy: 1.6144886619383436
Energy: 1.8886690176916652
Energy: 1.740177724232476
Energy: 1.8886690176916652
Energy: 1.6144886619374061
Energy: 1.8886690176916652
Energy: 1.7630936783783706
Energy: 1.83721363659728
Energy: 1.5638222538729871
Energy: 1.83721363659728
Energy: 1.7630936783783706
Energy: 1.83721363659728
Energy: 1.5769248720232745
Energy: 1.7057461184881964
Energy: 1.5771180237019076
Energy: 1.7057461184881964
Energy: 1.5769248720232745
Energy: 1.7057461184881964
Energy: 1.5639647968754937
Energy: 1.7055968402072572
Energy: 1.5656845133163313
Energy: 1.7055968402072572
Energy: 1.5639647968754937
Energy: 1.7055968402072572
Energy: 1.797977537040202
Energy: 1.756481850632973
Energy: 1.5638050233722116
Energy: 1.756481850632973
Energy: 1.797977537040202
Energy: 1.756481850632973
Energy: 1.8189527161973447
Energy: 1.5895229628570153
Energy: 1.7608603143879336
Energy: 1.5895229628570153
Energy: 1.8189527161973447
Energy: 1.5895229628570153
Energy: 1.75862080772347
Energy: 1.820285077136468
Energy: 1.6316567427060267
Energy: 1.820285077136468
Energy: 1.75862080772347
Energy: 1.8202850771355308
Energy: 1.5637608911804755
Energy: 1.6488905582925995
Energy: 1.7794198394314609
Energy: 1.6488905582925995
Energy: 1.5637608911804755
Energy: 1.6488905582925995
Energy: 1.5640947873227478
Energy: 1.586655720744494
Energy: 1.563821570679744
Energy: 1.586655720744494
Energy: 1.5640947873227478
Energy: 1.586655720744494
Energy: 1.6148953672951591
Energy: 1.7743087656144334
Energy: 1.5771996975543157
Energy: 1.7743087656144334
Energy: 1.6148953672951591
Energy: 1.7743087656144334
Energy: 1.7631671966872273
Energy: 1.7492746240462536
Energy: 1.762771883110829
Energy: 1.749274624045316
Energy: 1.7631671966872273
Energy: 1.7492746240462536
Energy: 1.5773207065077368
Energy: 1.716412491222183
Energy: 1.6159888076915176
Energy: 1.7164124912231205
Energy: 1.5773207065077368
Energy: 1.7164124912231205
Energy: 1.5642402705934002
Energy: 1.5866915301776747
Energy: 1.577385678649899
Energy: 1.5866915301776747
Energy: 1.5642402705934002
Energy: 1.5866915301767373
Energy: 1.5638450950316023
Energy: 1.5865285080515497
Energy: 1.5644754570999937
Energy: 1.5865285080515497
Energy: 1.5638450950306648
Energy: 1.586528508052487
Energy: 1.5637952597662128
Energy: 1.9342686031174978
Energy: 1.7764129637162909
Energy: 1.9342686031174978
Energy: 1.5637952597662128
Energy: 1.9342686031174978

minimum gb energy = 1.5636652403359412 eV
minimum distance =  2.17078275302707 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.7523843402469326
Energy: 1.6808038360175108
Energy: 1.761150265097315
Energy: 1.6808038360175108
Energy: 1.7523843402469326
Energy: 1.6808038360175108
Energy: 1.6276464664210706
Energy: 1.6730319845414683
Energy: 1.5952403520782124
Energy: 1.6730319845414683
Energy: 1.6276464664194021
Energy: 1.6730319845414683
Energy: 1.6599162844099222
Energy: 1.6640394817220487
Energy: 1.5953876561223574
Energy: 1.6640394817220487
Energy: 1.6599162844099222
Energy: 1.6640394817220487
Energy: 1.5953226060108079
Energy: 1.6993944950911333
Energy: 1.5953183568592224
Energy: 1.6993944950894648
Energy: 1.5953226060108079
Energy: 1.6993944950911333
Energy: 1.5953905663630403
Energy: 1.6640347588165516
Energy: 1.6045059925479144
Energy: 1.6640347588165516
Energy: 1.5953905663630403
Energy: 1.6640347588165516
Energy: 1.5952477755168124
Energy: 1.6338384553786391
Energy: 1.62769766238584
Energy: 1.633838455376971
Energy: 1.5952477755168124
Energy: 1.6338384553786391
Energy: 1.761150265097315
Energy: 1.6808038360175108
Energy: 1.7523843402469326
Energy: 1.6808038360175108
Energy: 1.761150265097315
Energy: 1.6808038360175108
Energy: 1.5952403520782124
Energy: 1.6594611488731166
Energy: 1.6276464664210706
Energy: 1.6594611488731166
Energy: 1.5952403520765444
Energy: 1.6594611488714486
Energy: 1.5953876561223574
Energy: 1.6640394817220487
Energy: 1.6599162844099222
Energy: 1.6640394817220487
Energy: 1.5953876561223574
Energy: 1.6640394817220487
Energy: 1.5953183568592224
Energy: 1.6926857662637436
Energy: 1.5953226060108079
Energy: 1.6926857662604073
Energy: 1.5953183568592224
Energy: 1.6926857662637436
Energy: 1.6045059925479144
Energy: 1.6640347588165516
Energy: 1.5953905663630403
Energy: 1.6640347588165516
Energy: 1.6045059925479144
Energy: 1.6640347588165516
Energy: 1.62769766238584
Energy: 1.633838455376971
Energy: 1.5952477755168124
Energy: 1.6338384553786391
Energy: 1.62769766238584
Energy: 1.633838455376971
Energy: 1.7523843402469326
Energy: 1.6808038360175108
Energy: 1.742348537533072
Energy: 1.6808038360175108
Energy: 1.7523843402469326
Energy: 1.680803836019179
Energy: 1.6276464664210706
Energy: 1.6338428823536706
Energy: 1.5952403520765444
Energy: 1.6338428823553388
Energy: 1.6276464664210706
Energy: 1.6338428823536706
Energy: 1.6599162844099222
Energy: 1.6640394817220487
Energy: 1.5953876561223574
Energy: 1.6640394817220487
Energy: 1.6599162844099222
Energy: 1.6640394817220487
Energy: 1.5953226060108079
Energy: 1.6926857662837627
Energy: 1.5953183568592224
Energy: 1.6926857662787578
Energy: 1.5953226060108079
Energy: 1.6926857662770898
Energy: 1.5953905663630403
Energy: 1.6640347588165516
Energy: 1.6045059925479144
Energy: 1.6640347588165516
Energy: 1.5953905663630403
Energy: 1.6640347588165516

minimum gb energy = 1.5952403520765444 eV
minimum distance =  2.17894181921268 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.0396471401880896
Energy: 1.8188735749043554
Energy: 1.910856055501209
Energy: 1.8188735749043554
Energy: 2.0396471401880896
Energy: 1.8188735749043554
Energy: 1.7343795581814978
Energy: 1.8015495740031182
Energy: 1.6453486756431266
Energy: 1.801549574001756
Energy: 1.7343795581814978
Energy: 1.8015495740031182
Energy: 1.6575028127345812
Energy: 1.595027031838325
Energy: 1.6478479870983889
Energy: 1.595027031838325
Energy: 1.6575028127345812
Energy: 1.595027031838325
Energy: 1.6560908490466986
Energy: 1.594330091431619
Energy: 1.73204432968083
Energy: 1.594330091431619
Energy: 1.6560908490466986
Energy: 1.594330091431619
Energy: 1.734167820283926
Energy: 1.6676325158963374
Energy: 1.6471260216828547
Energy: 1.6676325158963374
Energy: 1.734167820283926
Energy: 1.6676325158963374
Energy: 1.6562367360594128
Energy: 1.5947740220507596
Energy: 1.648743886773772
Energy: 1.5947740220507596
Energy: 1.6562367360594128
Energy: 1.5947740220507596
Energy: 1.63899722767293
Energy: 1.7249550249369268
Energy: 1.6478364659579934
Energy: 1.7249550249369268
Energy: 1.63899722767293
Energy: 1.7249550249369268
Energy: 1.7335647777327978
Energy: 1.864149446862245
Energy: 1.6585531015815707
Energy: 1.864149446862245
Energy: 1.7335647777327978
Energy: 1.864149446862245
Energy: 1.7316619858621132
Energy: 1.7372671864640639
Energy: 1.732334300819365
Energy: 1.7372671864640639
Energy: 1.7316619858621132
Energy: 1.7372671864640639
Energy: 1.642811497144781
Energy: 1.8208711728359168
Energy: 1.662792605434798
Energy: 1.8208711728359168
Energy: 1.642811497144781
Energy: 1.8208711728359168
Energy: 1.6411708501608584
Energy: 1.6148017671401835
Energy: 1.6894686368993954
Energy: 1.6148017671401835
Energy: 1.6411708501608584
Energy: 1.6148017671415456
Energy: 1.6376315970171027
Energy: 1.5955983031204926
Energy: 1.7231599071974166
Energy: 1.5955983031204926
Energy: 1.6376315970171027
Energy: 1.5955983031204926
Energy: 1.640323329940872
Energy: 1.7192514729687491
Energy: 1.682148121597558
Energy: 1.7192514729687491
Energy: 1.640323329940872
Energy: 1.7192514729687491
Energy: 1.637634107732617
Energy: 1.5943819952142395
Energy: 1.7304551696562211
Energy: 1.5943819952142395
Energy: 1.637634107732617
Energy: 1.5943819952142395
Energy: 1.7985591724475571
Energy: 1.8222943768279256
Energy: 1.6646218760064702
Energy: 1.8222943768279256
Energy: 1.7985591724475571
Energy: 1.8222943768279256
Energy: 1.731456650851852
Energy: 1.7382306329377435
Energy: 1.7337147660307117
Energy: 1.7382306329377435
Energy: 1.731456650851852
Energy: 1.7382306329377435
Energy: 1.7316283116737738
Energy: 1.7374437705143988
Energy: 1.72020509237068
Energy: 1.7374437705143988
Energy: 1.7316283116737738
Energy: 1.7374437705143988
Energy: 1.8002170774435502
Energy: 1.725966188314243
Energy: 1.662763173413467
Energy: 1.725966188314243
Energy: 1.800217077444912
Energy: 1.725966188314243
Energy: 1.6402826656577736
Energy: 1.5949503578593318
Energy: 1.7420190721781896
Energy: 1.5949503578593318
Energy: 1.6402826656577736
Energy: 1.5949503578593318
Energy: 1.6381318106512675
Energy: 1.667246521389047
Energy: 1.6595935317820605
Energy: 1.667246521389047
Energy: 1.6381318106526295
Energy: 1.667246521389047
Energy: 1.6403526420177503
Energy: 1.5950599928486986
Energy: 1.7205051563984588
Energy: 1.5950599928486986
Energy: 1.6403526420177503
Energy: 1.5950599928486986

minimum gb energy = 1.594330091431619 eV
minimum distance =  2.18103111526135 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.8059561120021874
Energy: 1.9479919986436365
Energy: 1.8310297270032758
Energy: 1.9479919986436365
Energy: 1.8059561120021874
Energy: 1.9479919986436365
Energy: 1.6919955755280653
Energy: 1.8426703013532824
Energy: 1.6665237834635391
Energy: 1.8426703013532824
Energy: 1.6919955755280653
Energy: 1.8426703013521344
Energy: 1.6661980217854968
Energy: 1.6379050487010085
Energy: 1.6665574385815716
Energy: 1.6379050487010085
Energy: 1.6661980217854968
Energy: 1.6379050487010085
Energy: 1.6727783285787743
Energy: 1.6400853367686536
Energy: 1.7834514888714252
Energy: 1.6400853367686536
Energy: 1.6727783285787743
Energy: 1.6400853367698016
Energy: 1.6928635213286782
Energy: 1.7038119474709426
Energy: 1.6673522562314385
Energy: 1.7038119474709426
Energy: 1.6928635213286782
Energy: 1.7038119474709426
Energy: 1.6649894102933167
Energy: 1.6378368619855845
Energy: 1.6646915335345296
Energy: 1.6378368619855845
Energy: 1.664989410294465
Energy: 1.6378368619855845
Energy: 1.672615815344523
Energy: 1.6571783359895562
Energy: 1.66700730790814
Energy: 1.6571783359895562
Energy: 1.672615815344523
Energy: 1.6571783359895562
Energy: 1.6702838242128433
Energy: 1.6628804496175098
Energy: 1.667057778927341
Energy: 1.6628804496175098
Energy: 1.6702838242128433
Energy: 1.6628804496175098
Energy: 1.8221064375550795
Energy: 1.653472087890974
Energy: 1.7632487642154306
Energy: 1.653472087890974
Energy: 1.8221064375550795
Energy: 1.653472087890974
Energy: 1.671228336279734
Energy: 1.801903370864629
Energy: 1.7433781279024603
Energy: 1.801903370864629
Energy: 1.6712283362785858
Energy: 1.801903370864629
Energy: 1.6712143865182445
Energy: 1.8018788986061642
Energy: 1.743412200141689
Energy: 1.8018788986061642
Energy: 1.6712143865182445
Energy: 1.8018788986061642
Energy: 1.8220514221149806
Energy: 1.6534898194832783
Energy: 1.7632976531275844
Energy: 1.6534898194832783
Energy: 1.8220514221149806
Energy: 1.6534898194832783
Energy: 1.670135929498395
Energy: 1.6628700927550488
Energy: 1.667293228091337
Energy: 1.6628700927550488
Energy: 1.670135929498395
Energy: 1.6628700927550488
Energy: 1.6726025335597636
Energy: 1.6572331863953678
Energy: 1.666958628619897
Energy: 1.6572331863953678
Energy: 1.6726025335597636
Energy: 1.6572331863953678
Energy: 1.6649994134249717
Energy: 1.637870268683407
Energy: 1.66475758459827
Energy: 1.637870268683407
Energy: 1.6649994134249717
Energy: 1.637870268683407
Energy: 1.6928299716394761
Energy: 1.7038119474697946
Energy: 1.6673534846444216
Energy: 1.7038119474709426
Energy: 1.6928299716394761
Energy: 1.7038119474697946
Energy: 1.672773434892549
Energy: 1.6401069207641856
Energy: 1.7265040284488324
Energy: 1.6401069207641856
Energy: 1.672773434892549
Energy: 1.6401069207641856
Energy: 1.6660322851769962
Energy: 1.638036304555268
Energy: 1.666537920677516
Energy: 1.638036304555268
Energy: 1.6660322851769962
Energy: 1.638036304555268
Energy: 1.6914587610895284
Energy: 1.842691056872138
Energy: 1.6666275440497704
Energy: 1.842691056872138
Energy: 1.6914587610895284
Energy: 1.842691056872138
Energy: 1.8059561120021874
Energy: 1.9479919986436365
Energy: 1.8288281199380831
Energy: 1.9479919986436365
Energy: 1.8059561120021874
Energy: 1.9479919986436365
Energy: 1.6919955755292135
Energy: 1.8426703013532824
Energy: 1.6665237834635391
Energy: 1.8426703013532824
Energy: 1.6919955755292135
Energy: 1.8426703013521344
Energy: 1.6661980217854968
Energy: 1.6379050487010085
Energy: 1.6665574385815716
Energy: 1.6379050487010085
Energy: 1.6661980217854968
Energy: 1.6379050487010085
Energy: 1.6727783285787743
Energy: 1.6400853367686536
Energy: 1.7834514888714252
Energy: 1.6400853367686536
Energy: 1.6727783285787743
Energy: 1.6400853367686536
Energy: 1.6928635213286782
Energy: 1.7038119474709426
Energy: 1.6673522562314385
Energy: 1.7038119474709426
Energy: 1.6928635213286782
Energy: 1.7038119474709426
Energy: 1.6649894102933167
Energy: 1.6378368619855845
Energy: 1.6646915335345296
Energy: 1.6378368619855845
Energy: 1.6649894102933167
Energy: 1.6378368619844363

minimum gb energy = 1.6378368619844363 eV
minimum distance =  2.17741844894767 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.9178253622644474
Energy: 1.6853723656094077
Energy: 1.8916406430235049
Energy: 1.6853723656094077
Energy: 1.9178253622644474
Energy: 1.6853723656094077
Energy: 1.6734738842345414
Energy: 1.7371703355037365
Energy: 1.6809917198099469
Energy: 1.7371703355037365
Energy: 1.6734738842345414
Energy: 1.7371703355027455
Energy: 1.671790981334354
Energy: 1.7428756311791587
Energy: 1.6807829900787765
Energy: 1.7428756311791587
Energy: 1.671790981334354
Energy: 1.7428756311791587
Energy: 1.6568534460689213
Energy: 1.749081715043161
Energy: 1.6425244543477342
Energy: 1.749081715043161
Energy: 1.6568534460689213
Energy: 1.749081715043161
Energy: 1.6568403619851217
Energy: 1.6612443096287381
Energy: 1.6420037275966155
Energy: 1.6612443096287381
Energy: 1.6568403619851217
Energy: 1.6612443096287381
Energy: 1.654386215033465
Energy: 1.6180100616078368
Energy: 1.6419628770324186
Energy: 1.6180100616078368
Energy: 1.654386215033465
Energy: 1.6180100616078368
Energy: 1.6312975978853956
Energy: 1.6495960611728038
Energy: 1.642054296214572
Energy: 1.6495960611728038
Energy: 1.6312975978853956
Energy: 1.6495960611718126
Energy: 1.6320703110057726
Energy: 1.6188051730243633
Energy: 1.6421202748068278
Energy: 1.6188051730243633
Energy: 1.6320703110057726
Energy: 1.6188051730243633
Energy: 1.6567466320910424
Energy: 1.680622755739752
Energy: 1.6927929318158865
Energy: 1.680622755739752
Energy: 1.6567466320910424
Energy: 1.680622755739752
Energy: 1.6573229348116039
Energy: 1.83108528429473
Energy: 1.6809045934047309
Energy: 1.83108528429473
Energy: 1.6573229348116039
Energy: 1.83108528429473
Energy: 1.6554293536892932
Energy: 1.7699863281336277
Energy: 1.69926341347661
Energy: 1.7699863281336277
Energy: 1.6554293536892932
Energy: 1.7699863281336277
Energy: 1.7170451483204376
Energy: 1.821331142216692
Energy: 1.6973371716685957
Energy: 1.821331142216692
Energy: 1.7170451483204376
Energy: 1.821331142216692
Energy: 1.7172409867285672
Energy: 1.6536395972282933
Energy: 1.6808520255747454
Energy: 1.6536395972282933
Energy: 1.7172409867285672
Energy: 1.6536395972282933
Energy: 1.6707183089022306
Energy: 1.7704621974631642
Energy: 1.7403001247824725
Energy: 1.7704621974631642
Energy: 1.6707183089022306
Energy: 1.7704621974631642
Energy: 1.6569569637944623
Energy: 1.7293537322816168
Energy: 1.6803495817516512
Energy: 1.7293537322816168
Energy: 1.6569569637944623
Energy: 1.7293537322816168
Energy: 1.657073987731454
Energy: 1.6090418212031579
Energy: 1.6542798046060692
Energy: 1.6090418212031579
Energy: 1.657073987731454
Energy: 1.6090418212031579
Energy: 1.6546123302925042
Energy: 1.6177291697289473
Energy: 1.6747359686589482
Energy: 1.6177291697289473
Energy: 1.6546123302925042
Energy: 1.6177291697289473
Energy: 1.6312772901323376
Energy: 1.732409933406252
Energy: 1.6503343672488702
Energy: 1.732409933406252
Energy: 1.6312772901323376
Energy: 1.732409933406252
Energy: 1.6547288600248367
Energy: 1.6178205229245508
Energy: 1.6748660633665364
Energy: 1.6178205229245508
Energy: 1.6547288600248367
Energy: 1.6178205229245508
Energy: 1.657118199963902
Energy: 1.6089530755390458
Energy: 1.6538501200529547
Energy: 1.6089530755390458
Energy: 1.6571181999648932
Energy: 1.6089530755390458
Energy: 1.6572333279462934
Energy: 1.749526916911389
Energy: 1.668947323471631
Energy: 1.749526916911389
Energy: 1.6572333279462934
Energy: 1.749526916911389
Energy: 1.6674427286082558
Energy: 1.7074786834997355
Energy: 1.7390638708877162
Energy: 1.7074786834997355
Energy: 1.6674427286082558
Energy: 1.7074786834997355
Energy: 1.7560024047496865
Energy: 1.853721225488169
Energy: 1.6809962321831
Energy: 1.853721225488169
Energy: 1.7560024047496865
Energy: 1.853721225488169
Energy: 1.7570956879469284
Energy: 1.7266485329919032
Energy: 1.6691333090612983
Energy: 1.7266485329919032
Energy: 1.7570956879479194
Energy: 1.7266485329909123
Energy: 1.7050840559402978
Energy: 1.7700562760518481
Energy: 1.6811515250382365
Energy: 1.7700562760518481
Energy: 1.7050840559402978
Energy: 1.7700562760518481
Energy: 1.6573869778989183
Energy: 1.6927252375777218
Energy: 1.6807155522744688
Energy: 1.6927252375777218
Energy: 1.6573869778989183
Energy: 1.6927252375777218
Energy: 1.656938224366547
Energy: 1.660188026784306
Energy: 1.7098022197793021
Energy: 1.660188026783315
Energy: 1.656938224366547
Energy: 1.660188026783315
Energy: 1.6313487871434058
Energy: 1.6181785942635203
Energy: 1.6421234678383845
Energy: 1.6181785942635203
Energy: 1.6313487871434058
Energy: 1.6181785942635203
Energy: 1.6313312224186576
Energy: 1.6453377893946197
Energy: 1.6420317635935797
Energy: 1.6453377893946197
Energy: 1.6313312224186576
Energy: 1.6453377893946197

minimum gb energy = 1.6089530755390458 eV
minimum distance =  2.19122028742058 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.089371641813253
Energy: 1.787556225075934
Energy: 1.785503678961444
Energy: 1.7875562250768056
Energy: 2.089371641813253
Energy: 1.787556225075934
Energy: 1.6246796754998185
Energy: 1.7205012008134697
Energy: 1.6240624346147574
Energy: 1.7205012008134697
Energy: 1.6246796754989472
Energy: 1.7205012008134697
Energy: 1.6118434399116532
Energy: 1.6568593599590764
Energy: 1.6240354423003556
Energy: 1.6568593599590764
Energy: 1.6118434399125245
Energy: 1.6568593599590764
Energy: 1.5830301661539725
Energy: 1.6466215066864762
Energy: 1.5878505950323591
Energy: 1.6466215066864762
Energy: 1.5830301661539725
Energy: 1.6466215066864762
Energy: 1.582895594559367
Energy: 1.5644093186385644
Energy: 1.585251363706184
Energy: 1.5644093186394357
Energy: 1.582895594559367
Energy: 1.5644093186385644
Energy: 1.6384452553741962
Energy: 1.6317356758014672
Energy: 1.5827270455196514
Energy: 1.6317356758023382
Energy: 1.6384452553741962
Energy: 1.6317356758014672
Energy: 1.584727283352878
Energy: 1.635357860096276
Energy: 1.582811776350763
Energy: 1.635357860096276
Energy: 1.584727283352878
Energy: 1.635357860096276
Energy: 1.5873621297560447
Energy: 1.5940741114507282
Energy: 1.587493933228088
Energy: 1.5940741114507282
Energy: 1.5873621297551734
Energy: 1.5940741114507282
Energy: 1.582699952926695
Energy: 1.6083469589799413
Energy: 1.633788515791459
Energy: 1.6083469589816837
Energy: 1.5826999529258239
Energy: 1.6083469589799413
Energy: 1.5825111319762308
Energy: 1.5935300464302218
Energy: 1.5826013566356383
Energy: 1.5935300464293505
Energy: 1.5825111319762308
Energy: 1.5935300464302218
Energy: 1.6345994278725053
Energy: 1.5980045249190369
Energy: 1.8075517208874394
Energy: 1.5980045249190369
Energy: 1.6345994278725053
Energy: 1.5980045249190369
Energy: 1.6242353622244108
Energy: 1.6568802390935187
Energy: 1.5827347296500123
Energy: 1.6568802390926474
Energy: 1.6242353622235397
Energy: 1.6568802390935187
Energy: 1.6240390938842266
Energy: 1.656921531570524
Energy: 1.5828585816251566
Energy: 1.656921531570524
Energy: 1.6240390938842266
Energy: 1.656921531570524
Energy: 1.5885362937592804
Energy: 1.6287268604696017
Energy: 1.6239687843783202
Energy: 1.628726860471344
Energy: 1.5885362937592804
Energy: 1.6287268604696017
Energy: 1.6059252863657942
Energy: 1.7250060263134877
Energy: 1.6241628283472502
Energy: 1.7250060263134877
Energy: 1.6059252863666653
Energy: 1.7250060263134877
Energy: 1.6245763878362856
Energy: 1.6581821859343375
Energy: 1.6105719892734651
Energy: 1.6581821859352086
Energy: 1.6245763878362856
Energy: 1.6581821859352086
Energy: 1.583027383513954
Energy: 1.6532293739912145
Energy: 1.5826628372642908
Energy: 1.6532293739912145
Energy: 1.5830273835130828
Energy: 1.6532293739912145
Energy: 1.5875912780913466
Energy: 1.5642655944841228
Energy: 1.5824656237328287
Energy: 1.5642655944832518
Energy: 1.5875912780913466
Energy: 1.5642655944841228
Energy: 1.601940733748271
Energy: 1.5919142834138345
Energy: 1.6329011351779688
Energy: 1.5919142834138345
Energy: 1.601940733748271
Energy: 1.5919142834138345
Energy: 1.5832238636387834
Energy: 1.7165368566517734
Energy: 1.582577354956105
Energy: 1.7165368566517734
Energy: 1.5832238636387834
Energy: 1.7165368566509023
Energy: 1.6070997301945575
Energy: 1.5630337491335304
Energy: 1.5872620758441167
Energy: 1.5630337491326594
Energy: 1.6070997301945575
Energy: 1.5630337491335304
Energy: 1.5827306172248226
Energy: 1.5921833666060676
Energy: 1.582460206750201
Energy: 1.5921833666051965
Energy: 1.5827306172248226
Energy: 1.5921833666051965
Energy: 1.5853270840528195
Energy: 1.5933918211582714
Energy: 1.582818050241661
Energy: 1.5933918211582714
Energy: 1.5853270840528195
Energy: 1.5933918211582714
Energy: 1.5829524385187832
Energy: 1.6849327629903712
Energy: 1.6853908083544862
Energy: 1.6849327629895001
Energy: 1.5829524385187832
Energy: 1.6849327629903712
Energy: 1.5830350978261334
Energy: 1.7753158449886306
Energy: 1.5830889640710935
Energy: 1.7753158449886306
Energy: 1.5830350978261334
Energy: 1.7753158449886306
Energy: 1.5833167992939705
Energy: 1.656544468236362
Energy: 1.6246473351370159
Energy: 1.6565444682354908
Energy: 1.5833167992922281
Energy: 1.656544468236362
Energy: 1.6240238955373323
Energy: 1.8103283011623974
Energy: 1.6053861733133912
Energy: 1.8103283011623974
Energy: 1.6240238955373323
Energy: 1.8103283011623974
Energy: 1.624219194665524
Energy: 1.8112103304140055
Energy: 1.5828703005112317
Energy: 1.8112103304122629
Energy: 1.624219194664653
Energy: 1.811210330413134
Energy: 1.7060362946103098
Energy: 1.656551154980215
Energy: 1.7079614342636362
Energy: 1.656551154980215
Energy: 1.7060362946103098
Energy: 1.656551154980215
Energy: 1.5825378818635372
Energy: 1.6790535516618323
Energy: 1.5832719169299176
Energy: 1.6790535516609613
Energy: 1.5825378818635372
Energy: 1.6790535516618323
Energy: 1.5825291892428042
Energy: 1.563136954547964
Energy: 1.5878406791087636
Energy: 1.563136954547964
Energy: 1.5825291892428042
Energy: 1.563136954547964
Energy: 1.5831207586117655
Energy: 1.5926425679834213
Energy: 1.5827666058824479
Energy: 1.5926425679842926
Energy: 1.5831207586117655
Energy: 1.5926425679834213
Energy: 1.5827138306625572
Energy: 1.6038774030483902
Energy: 1.5853991916655272
Energy: 1.603877403047519
Energy: 1.582713830661686
Energy: 1.6038774030483902

minimum gb energy = 1.5630337491326594 eV
minimum distance =  2.19036635845672 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015621162504431541
Energy: 0.01684822704504446
Energy: 3.7306446040487367
Energy: 0.01684822704504446
Energy: 0.015621162504431541
Energy: 0.01684822704504446
Energy: 0.01581781546357248
Energy: 0.8010588163507237
Energy: 0.01581781546357248
Energy: 0.8010588163514074
Energy: 0.01581781546357248
Energy: 0.8010588163507237
Energy: 3.730644604120881
Energy: 0.01684822704504446
Energy: 0.015621162504431541
Energy: 0.01684822704504446
Energy: 3.7306446038690186
Energy: 0.01684822704504446
Energy: 0.015817815462848623
Energy: 0.8010588163507237
Energy: 0.01581781546357248
Energy: 0.8010588163493163
Energy: 0.015817815462848623
Energy: 0.8010588163507237

minimum gb energy = 0.015621162504431541 eV
minimum distance =  2.35831625507013 Angstroms
sigma value = 1