Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371556162834
cohesive_energy=5.770453839983518
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.018953245980589537
Energy: 0.11365367263943842
Energy: 1.2798266760740664
Energy: 0.020303637417622925
Energy: 0.11365367263997254
Energy: 1.2142192434095775
Energy: 0.020303637417622925
Energy: 1.214219243416877
Energy: 1.2798266760740664
Energy: 0.020303637417088797
Energy: 0.018953245980589537
Energy: 0.11365367263997254
Energy: 0.020303637417088797
Energy: 1.214219243410082
Energy: 0.11365367264047697
Energy: 1.2142192434200227

minimum gb energy = 0.018953245980589537 eV
minimum distance =  2.64804381620262 Angstroms
sigma value = 1


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

Energy: 2.177581450627937
Energy: 1.480713527128798
Energy: 1.5183408716050892
Energy: 1.4024833061749382
Energy: 1.5135817112838674
Energy: 1.4045464133957568
Energy: 1.4801339499784854
Energy: 1.404546413395109
Energy: 1.4287640165577107
Energy: 1.4345821203901434
Energy: 2.3754227218567943
Energy: 1.4345821203907911
Energy: 1.4578319589941828
Energy: 1.4053194940998068
Energy: 1.4761696140424647
Energy: 1.4053194940998068
Energy: 2.01105534635395
Energy: 1.405365537844284
Energy: 1.4110303825099333
Energy: 1.405365537844932
Energy: 1.4224164610999859
Energy: 1.3846006895701328
Energy: 1.338284857564559
Energy: 1.384600689572076
Energy: 1.5327468864887335
Energy: 1.387425587008937
Energy: 2.0101525509702824
Energy: 1.3874255870095846
Energy: 1.347290473370628
Energy: 1.3621449364763332
Energy: 1.471689607682101
Energy: 1.36214493647439
Energy: 1.7296270695761962
Energy: 1.3641368918557963
Energy: 1.7677892780367253
Energy: 1.364136891856444
Energy: 1.3576541734650416
Energy: 1.6935458768173242
Energy: 1.3493558783326576
Energy: 1.6935458768173242
Energy: 1.8425862545956537
Energy: 1.3631084370194084
Energy: 1.6991368820889297
Energy: 1.3631084370194084
Energy: 1.349177174999932
Energy: 1.6957373765749923
Energy: 1.3682606635713157
Energy: 1.69573737657564
Energy: 1.446931897991538
Energy: 1.3881302129253765
Energy: 2.1820891827571773
Energy: 1.3881302129260242
Energy: 1.5249335854527717
Energy: 1.3817567093325585
Energy: 1.3561629573660838
Energy: 1.3817567093325585
Energy: 2.180214110443135
Energy: 1.4057719976600647
Energy: 1.3262208208816835
Energy: 1.4057719976620078
Energy: 1.3529560671237941
Energy: 1.405072882822278
Energy: 1.488152261320348
Energy: 1.4050728828209826
Energy: 1.5106594989337634
Energy: 1.4726802143063702
Energy: 2.570775315854108
Energy: 1.472680214307018
Energy: 1.4795926447622014
Energy: 1.4056212466877607
Energy: 1.5598238165412106
Energy: 1.4056212466884084
Energy: 2.3768028339442893
Energy: 1.4127153664047152
Energy: 1.511192814607219
Energy: 1.4127153664053629
Energy: 1.6142371646005722
Energy: 1.4709321864850193
Energy: 1.4380767499773481
Energy: 1.470932186486315
Energy: 1.493409948828653
Energy: 1.3660511871336987
Energy: 2.0115223717209285
Energy: 1.366051187133051
Energy: 1.3373522686245085
Energy: 1.3853631042095462
Energy: 1.422648088897242
Energy: 1.3853631042043637
Energy: 2.0104783128472636
Energy: 1.388725823649885
Energy: 1.5989662363469856
Energy: 1.3887258236485893
Energy: 1.4720906913839111
Energy: 1.4204912012449378
Energy: 1.4206228280831186
Energy: 1.420491201246881
Energy: 1.5383169631997549
Energy: 1.3634489467545838
Energy: 1.477560537087813
Energy: 1.3634489467545838
Energy: 1.4109771117823333
Energy: 1.4742730910174282
Energy: 1.3596568970227478
Energy: 1.4742730910180761
Energy: 1.6995563231396844
Energy: 1.364896899620452
Energy: 1.6368191504284773
Energy: 1.364896899620452
Energy: 1.365783934669801
Energy: 1.3600323376739436
Energy: 1.438196962627037
Energy: 1.360032337673296
Energy: 1.79663929352836
Energy: 1.3916424679794157
Energy: 1.4460885770060425
Energy: 1.3916424679800634
Energy: 1.3465456329737941
Energy: 1.383662857387521
Energy: 1.4288655728798971
Energy: 1.3836628573868732
Energy: 1.3473899270976981
Energy: 1.4044400708633302
Energy: 1.352380135077268
Energy: 1.4044400708633302
Energy: 1.4861953299716024
Energy: 1.4034718580174859
Energy: 1.369239582895417
Energy: 1.4034718580174859
Energy: 2.0092670707966778
Energy: 1.4699681181876594
Energy: 1.4285615680606196
Energy: 1.469968118188307

minimum gb energy = 1.3262208208816835 eV
minimum distance =  2.52069169816447 Angstroms
sigma value = 1


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

Energy: 2.4572231412508447
Energy: 1.484223868742153
Energy: 1.6054687369902811
Energy: 1.379775086013367
Energy: 1.6027461680897959
Energy: 1.4656846710497693
Energy: 1.5641616308779729
Energy: 1.4656846712195766
Energy: 1.5021272088021853
Energy: 1.533671474888642
Energy: 2.246584638716515
Energy: 1.5336714748901192
Energy: 1.5191274057163477
Energy: 1.4603001336678052
Energy: 1.5605517181735256
Energy: 1.4603001336684769
Energy: 2.2465312698993896
Energy: 1.4807517262765266
Energy: 1.48620520919689
Energy: 1.4807517262787424
Energy: 1.4947580101180893
Energy: 1.4598621260451847
Energy: 1.410232130716273
Energy: 1.4598621260474005
Energy: 1.63865954327672
Energy: 1.4587097240368097
Energy: 1.8551590447310333
Energy: 1.4587097240338553
Energy: 1.4155279186566179
Energy: 1.7736161889991728
Energy: 1.4326994151493613
Energy: 1.7736161889991728
Energy: 1.8566388215319582
Energy: 1.43964848467184
Energy: 1.7163192558553437
Energy: 1.439648484670363
Energy: 1.4278435760534223
Energy: 1.7473976956930586
Energy: 1.4300225745078523
Energy: 1.7473976956930586
Energy: 2.0360686697744215
Energy: 1.461882900822349
Energy: 1.5452951925402254
Energy: 1.4618829008216105
Energy: 1.4229517113814143
Energy: 1.4562257222261727
Energy: 1.4958297089596329
Energy: 1.4562257222261727
Energy: 1.3901730203496252
Energy: 1.4596124816323932
Energy: 2.0340277375680627
Energy: 1.4596124816323932
Energy: 1.5713913323358155
Energy: 1.479594678698629
Energy: 1.43343478077952
Energy: 1.4795946786978902
Energy: 2.460155067083145
Energy: 1.5531535101479688
Energy: 1.594247460343221
Energy: 1.5531535101494458
Energy: 1.551342939002188
Energy: 1.461460182850695
Energy: 1.5638196704478058
Energy: 1.461460182850695
Energy: 1.5953531502037068
Energy: 1.5352102654818283
Energy: 2.2485148070327616
Energy: 1.535210265478874
Energy: 1.5179960450525511
Energy: 1.463114323968308
Energy: 1.6010055589756955
Energy: 1.4631143239993285
Energy: 2.248157634193368
Energy: 1.494664970833834
Energy: 1.5802896891870786
Energy: 1.494664970833834
Energy: 1.4967261047286713
Energy: 1.4595399838677745
Energy: 1.401342009303804
Energy: 1.4595399838692515
Energy: 1.7113532393654034
Energy: 1.4591385237850725
Energy: 1.8558672374643745
Energy: 1.4591385237821182
Energy: 1.4576154755397845
Energy: 1.5038047938738053
Energy: 1.4335207210673875
Energy: 1.5038047938738053
Energy: 1.8568814926632071
Energy: 1.4388627529472267
Energy: 1.784453463374877
Energy: 1.4388627529464884
Energy: 1.4276870887999347
Energy: 1.5773190806540576
Energy: 1.499794987120281
Energy: 1.5773190806540576
Energy: 1.7529954743546792
Energy: 1.4592742159982368
Energy: 1.5446005759871015
Energy: 1.4592742159989753
Energy: 1.414677227919849
Energy: 1.4559115910771345
Energy: 1.4961335174018542
Energy: 1.4559115910756575
Energy: 1.4210576339022107
Energy: 1.4584952577182242
Energy: 1.7741815052916283
Energy: 1.45849525772044
Energy: 1.5611395158697612
Energy: 1.4602367014381914
Energy: 1.4330532233433548
Energy: 1.4602367014404074
Energy: 1.9837014896295773
Energy: 1.5124615078902708
Energy: 1.500537545796513
Energy: 1.5124615064306954

minimum gb energy = 1.379775086013367 eV
minimum distance =  2.44058975411391 Angstroms
sigma value = 25


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

Energy: 2.481850048973006
Energy: 1.6447194174312083
Energy: 1.7277358173667539
Energy: 1.5715449585089118
Energy: 1.7134910654684288
Energy: 1.623247568540745
Energy: 1.716704449556378
Energy: 1.623247568542462
Energy: 1.6454161971453127
Energy: 1.6478383633984282
Energy: 2.1839420211184706
Energy: 1.6478383633992868
Energy: 1.5741027908489655
Energy: 1.5597932639058298
Energy: 1.6707309709154836
Energy: 1.5597932639066883
Energy: 2.1853258377972833
Energy: 1.5514569403039986
Energy: 1.649688530700844
Energy: 1.551456940304857
Energy: 1.6591028762690714
Energy: 1.881832388245891
Energy: 1.518764861786452
Energy: 1.8818323882450323
Energy: 1.7765398019445722
Energy: 1.5630711404283126
Energy: 1.8048275936882499
Energy: 1.5630711404291713
Energy: 1.5507211855727232
Energy: 1.9916211543521882
Energy: 1.5836677225034101
Energy: 1.9916211543530469
Energy: 1.7387701752998665
Energy: 1.562795206063292
Energy: 1.9614957810973421
Energy: 1.562795206063292
Energy: 1.5649306474340452
Energy: 1.5684284712548329
Energy: 1.5231448345699208
Energy: 1.5684284712539744
Energy: 2.489812805802535
Energy: 1.6099411722426455
Energy: 1.5520771216546028
Energy: 1.609941172243504
Energy: 1.575216562877212
Energy: 1.7215921253900044
Energy: 1.658992211932893
Energy: 1.7215921253917215
Energy: 1.6589884960976435
Energy: 1.5601338455117866
Energy: 2.3014393314503714
Energy: 1.5601338455126454
Energy: 1.6165517250014203
Energy: 1.6633133868668197
Energy: 1.6342711063166462
Energy: 1.663313386865961
Energy: 2.2450316521370177
Energy: 1.6999265976259121
Energy: 1.722796161698199
Energy: 1.6999265976267708
Energy: 1.7785261520003135
Energy: 1.7052598262395542
Energy: 1.6930918289845756
Energy: 1.7052598262395542
Energy: 1.7468919390429993
Energy: 1.536263377761169
Energy: 2.186614633928439
Energy: 1.5362633777603103
Energy: 1.5281514213184992
Energy: 1.8527665197328531
Energy: 1.6236574780595479
Energy: 1.8527665197328531
Energy: 1.842947302238116
Energy: 1.5636574778452677
Energy: 1.700306181394913
Energy: 1.5636574778452677
Energy: 1.526236448216646
Energy: 1.6597509748238648
Energy: 1.6359346650713338
Energy: 1.6597509748230062
Energy: 2.095831515352693
Energy: 1.5763509347089766
Energy: 1.768759637648548
Energy: 1.5763509347089766
Energy: 1.5906587365048919
Energy: 1.5554482859214729
Energy: 1.6211922292385355
Energy: 1.5554482859206142
Energy: 1.5323487213258404
Energy: 1.5639980911644626
Energy: 1.9874484138500839
Energy: 1.5639980911653213
Energy: 1.6717645774224061
Energy: 1.556080949483516
Energy: 1.6021477948293563
Energy: 1.5560809494817986
Energy: 1.8908454981674934
Energy: 1.6387934268016693
Energy: 1.602314007876161
Energy: 1.6387934268025277

minimum gb energy = 1.518764861786452 eV
minimum distance =  2.43174464456092 Angstroms
sigma value = 9


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

Energy: 2.0567190010183647
Energy: 1.7490584145818067
Energy: 1.8343501134024225
Energy: 1.5876752546537303
Energy: 1.8024460627688583
Energy: 1.6835202898584467
Energy: 1.7467946509153671
Energy: 1.6835202898574226
Energy: 1.6448342783378356
Energy: 1.7138329722664865
Energy: 2.4862558183320904
Energy: 1.7138329722664865
Energy: 1.6155487756991678
Energy: 1.7171809434794174
Energy: 1.747029947850602
Energy: 1.7171809434486904
Energy: 1.8218601844424254
Energy: 1.6184026246896301
Energy: 1.6776822974753658
Energy: 1.6184026246875816
Energy: 1.6580954037418778
Energy: 1.627558000587047
Energy: 1.6535859938928692
Energy: 1.627558000588071
Energy: 1.5852803111443685
Energy: 1.6570575582128642
Energy: 1.8253008496508711
Energy: 1.6570575582118399
Energy: 1.5774070944074003
Energy: 1.8829387662831953
Energy: 1.6464151915061216
Energy: 1.8829387662821713
Energy: 1.5181219061902462
Energy: 1.6181475901801614
Energy: 2.0642414385548897
Energy: 1.618147590178113
Energy: 1.7502460636090902
Energy: 1.6151383091634801
Energy: 1.5711934606920979
Energy: 1.6151383091634801
Energy: 2.060925056375353
Energy: 1.699466352553147
Energy: 1.6457860730082101
Energy: 1.699466352553147
Energy: 1.7123317003584848
Energy: 1.6540379438495378
Energy: 1.8026185134711468
Energy: 1.6540379438515864
Energy: 1.6498398954650337
Energy: 1.7142073805842286
Energy: 2.487670946700269
Energy: 1.7142073805832045
Energy: 1.6777701368539615
Energy: 1.9630727320982058
Energy: 1.7121750248926506
Energy: 1.9630727320982058
Energy: 1.8225620775754463
Energy: 1.6183511315787096
Energy: 1.8109417509940118
Energy: 1.6183511315797339
Energy: 1.65342888148413
Energy: 2.0090811090243164
Energy: 1.5483007711736996
Energy: 2.0090811090243164
Energy: 1.7752042668604155
Energy: 1.662781301235856
Energy: 1.82492199012239
Energy: 1.662781301234832
Energy: 1.7711468551684846
Energy: 1.7278335698239666
Energy: 1.6460065957169678
Energy: 1.7278335698229421
Energy: 1.5161245473977667
Energy: 1.61862332692166
Energy: 1.8505082991028714
Energy: 1.6186233269206358
Energy: 1.749146872423737
Energy: 1.6151969216337236
Energy: 1.552910649479769
Energy: 1.615196921634748
Energy: 2.2187345892123673
Energy: 1.6518662095129115
Energy: 1.6770445629153523
Energy: 1.6518662095139358

minimum gb energy = 1.5161245473977667 eV
minimum distance =  2.44788054533146 Angstroms
sigma value = 25


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

Energy: 1.696997552131801
Energy: 1.7470105862861767
Energy: 1.748692995600171
Energy: 1.6557070176276119
Energy: 2.1338241431647784
Energy: 1.717032918832102
Energy: 1.8389368010373306
Energy: 1.717032918833369
Energy: 1.7104204856482252
Energy: 1.7094062312639664
Energy: 2.193204802582014
Energy: 1.7094062312639664
Energy: 1.7071063931032715
Energy: 1.92698451107753
Energy: 1.8389257790288698
Energy: 1.9269845110762636
Energy: 1.5765554005144675
Energy: 1.7240147117770133
Energy: 1.7415047924778666
Energy: 1.7240147117770133
Energy: 1.7818720504076404
Energy: 1.9017031543369998
Energy: 1.718241203558501
Energy: 1.9017031543344667
Energy: 1.7051306584783807
Energy: 1.7302549398255693
Energy: 1.5790487183816804
Energy: 1.7302549398255693
Energy: 1.7731386660481814
Energy: 1.6084808430954451
Energy: 1.6364699458444163
Energy: 1.608480843096712
Energy: 1.7585387137757982
Energy: 1.6203084142477118
Energy: 2.276480480501202
Energy: 1.6203084142451787
Energy: 1.9167058612340122
Energy: 1.6193547673942614
Energy: 1.7774463155405873
Energy: 1.6193547673955282
Energy: 2.1982969548458122
Energy: 1.7083229007663834
Energy: 1.7142746119044998
Energy: 1.70832290076765
Energy: 1.87521949444818
Energy: 1.9904240185112925
Energy: 1.7070188573103986
Energy: 1.990424018512559
Energy: 1.6482649409943455
Energy: 1.637206512651881
Energy: 1.5778859094775595
Energy: 1.637206512651881
Energy: 1.807758741709137
Energy: 1.7398598809866588
Energy: 1.782672035002388
Energy: 1.7398598809866588
Energy: 1.5774023224425535
Energy: 1.7172388860384493
Energy: 1.9766229155623127
Energy: 1.7172388860397159
Energy: 1.6361671328392082
Energy: 1.6055617853189366
Energy: 1.9742053723826776
Energy: 1.6055617853151367
Energy: 1.782195054836232
Energy: 1.6196013796543591
Energy: 1.761977488923467
Energy: 1.6196013796543591

minimum gb energy = 1.5765554005144675 eV
minimum distance =  2.46066900298248 Angstroms
sigma value = 17


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

Energy: 2.5450493250370867
Energy: 1.9334696800022533
Energy: 1.9148961170947139
Energy: 1.7328499783593492
Energy: 2.0353150865645437
Energy: 2.0510585766182325
Energy: 1.9723768852965728
Energy: 2.051058576617516
Energy: 1.5913876310708808
Energy: 1.592116112410293
Energy: 2.26404942492974
Energy: 1.5921161123772936
Energy: 1.6941581526189946
Energy: 1.904127303500153
Energy: 1.918083360431352
Energy: 1.9041273035008703
Energy: 1.788239422791886
Energy: 1.8307060702795415
Energy: 1.5888403006492906
Energy: 1.8307060702809763
Energy: 1.904715408465608
Energy: 1.960168646320176
Energy: 1.7970715902704772
Energy: 1.960168646319459
Energy: 1.9857258345747373
Energy: 1.7137947299418261
Energy: 1.7195916649012546
Energy: 1.7137947299418261
Energy: 1.9156019393564043
Energy: 1.6841183806731246
Energy: 1.8199939503356148
Energy: 1.6841183806716897
Energy: 1.9027535466205237
Energy: 1.9877582032803773
Energy: 2.322486642167602
Energy: 1.9877582032825294
Energy: 1.8765410101278615
Energy: 2.0306843456168684
Energy: 1.9542072468306046
Energy: 2.0306843456161503
Energy: 1.7860539995235485
Energy: 1.7004458691325934
Energy: 1.7423804442323747
Energy: 1.7004458691340278
Energy: 1.9227898229402385
Energy: 1.9725439889664096
Energy: 1.563615547430958
Energy: 1.972543988965692
Energy: 2.0776144630808764
Energy: 1.6572695784247562
Energy: 1.5264380416624945
Energy: 1.6572695784233216
Energy: 1.986875354131403
Energy: 1.902243340226612
Energy: 1.8032905250801816
Energy: 1.902243340225177
Energy: 1.9027235167976433
Energy: 1.9608047200315197
Energy: 2.3303713849009524
Energy: 1.960804720032237
Energy: 2.0046395463916036
Energy: 1.9310639407081391
Energy: 2.322180742248153
Energy: 1.931063940707422
Energy: 2.2785918621760044
Energy: 1.9064715422978402
Energy: 1.8491779940833455
Energy: 1.906471542297123
Energy: 2.220698226510117
Energy: 1.701458330494594
Energy: 1.5914670072615327
Energy: 1.7014583304938764
Energy: 1.903199447400779
Energy: 1.8754337199107052
Energy: 1.902852058661893
Energy: 1.8754337199114226
Energy: 1.587355118684876
Energy: 1.8642994507212383
Energy: 1.9395378043361173
Energy: 1.8642994507198036
Energy: 1.6355950060832827
Energy: 2.179699375063805
Energy: 1.9118452130532007
Energy: 2.179699375063805
Energy: 1.7199056271134292
Energy: 1.5935455227392357
Energy: 1.9787344630500785
Energy: 1.5935455236498464
Energy: 1.9223996971092743
Energy: 2.0103094698684223
Energy: 1.9772391546509878
Energy: 2.010309469869857
Energy: 2.264835771160813
Energy: 1.9870592502203592
Energy: 1.8908429683293333
Energy: 1.9870592502203592
Energy: 1.8067942419908247
Energy: 2.0569552493926153
Energy: 1.800582042199612
Energy: 2.0569552493947674
Energy: 1.6532830033905022
Energy: 1.6394100274662224
Energy: 1.7922478995205027
Energy: 1.63941002746694
Energy: 1.813687004026768
Energy: 2.075752892312591
Energy: 1.9417467915409066
Energy: 2.0757528923133077
Energy: 1.532191206295938
Energy: 1.672385832367538
Energy: 1.9832292263903835
Energy: 1.6723858323560599
Energy: 1.9804461429282614
Energy: 1.9229978140073636
Energy: 1.81384475678459
Energy: 1.9229978140066462
Energy: 2.5468166696159047
Energy: 1.9326645692382043
Energy: 1.8997397419518116
Energy: 1.9326645692267261

minimum gb energy = 1.5264380416624945 eV
minimum distance =  2.50213446963062 Angstroms
sigma value = 53


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

Energy: 2.2256464612272215
Energy: 1.974743033100756
Energy: 1.706274164854708
Energy: 1.8658027196696982
Energy: 1.6763541994156497
Energy: 1.7104500865491454
Energy: 2.042719387221433
Energy: 1.710450086578873
Energy: 1.706096940549278
Energy: 1.9749644111241842
Energy: 1.7762902554007474
Energy: 1.9749644111225328
Energy: 1.837575544379877
Energy: 2.091371531293298
Energy: 2.041520736212973
Energy: 2.091371531294949
Energy: 1.782821536031944
Energy: 1.4109417653322778
Energy: 1.3280671829710677
Energy: 1.4109417653322778
Energy: 1.6506157199684313
Energy: 1.6367717401449626
Energy: 1.4727358572812634
Energy: 1.6367717401449626
Energy: 2.234907198633604
Energy: 1.7279652381739534
Energy: 1.7259731501284614
Energy: 1.7279652381739534
Energy: 1.96447062394792
Energy: 2.1979125912299726
Energy: 2.054205705362762
Energy: 2.1979125912299726
Energy: 1.7334841027047994
Energy: 1.9726208449352771
Energy: 1.779097341214539
Energy: 1.9726208449336256
Energy: 1.675279610527361
Energy: 1.7114884455947663
Energy: 2.0412349731659205
Energy: 1.7114884455964179
Energy: 1.7804804015868552
Energy: 1.6368053534345932
Energy: 1.4746413383347676
Energy: 1.6368053534345932
Energy: 1.7166035068299554
Energy: 1.6368644298516777
Energy: 1.3323521751413592
Energy: 1.6368644298516777
Energy: 2.042762137986445
Energy: 1.8380104050819888
Energy: 1.7301112598038517
Energy: 1.8380104050819888

minimum gb energy = 1.3280671829710677 eV
minimum distance =  2.48170537201324 Angstroms
sigma value = 9


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

Energy: 2.121292540500013
Energy: 2.0696961838155783
Energy: 2.046594257793982
Energy: 1.999710015748305
Energy: 2.0842032161428876
Energy: 2.099438557673488
Energy: 2.1186976813326632
Energy: 2.0994385576740995
Energy: 1.5610118350243942
Energy: 1.9261658941207052
Energy: 1.9507671891884224
Energy: 1.9261658941188713
Energy: 1.6884531687166033
Energy: 1.9944423402679572
Energy: 2.112727658946221
Energy: 1.9944423402691793
Energy: 1.5605523775362682
Energy: 1.5908867956795467
Energy: 2.2101419618702196
Energy: 1.5908867956807695
Energy: 1.69163760120865
Energy: 1.8728594588577596
Energy: 2.128074150712769
Energy: 1.8728594588583707
Energy: 2.3661260684553067
Energy: 2.1279317835444362
Energy: 2.0446549875710316
Energy: 2.1279317835481035
Energy: 2.3535459176740514
Energy: 2.1668633599582754
Energy: 2.012344307849712
Energy: 2.166863359958887
Energy: 1.7854487352067023
Energy: 1.9484024523818904
Energy: 1.6745904471422626
Energy: 1.9484024523825016
Energy: 1.4742799018372954
Energy: 1.9150502926587052
Energy: 2.0517694340159864
Energy: 1.9150502926568715
Energy: 1.747860633697414
Energy: 1.9199673302951095
Energy: 2.2641802535291355
Energy: 1.9199673302944984
Energy: 1.810687717851524
Energy: 1.9614308485977503
Energy: 2.127613269633631
Energy: 1.9614308485977503
Energy: 2.3456744993642973
Energy: 2.179139423425633
Energy: 1.962076550065877
Energy: 2.179139423424411
Energy: 2.370284114798344
Energy: 1.9076710656828886
Energy: 1.7632673309100926
Energy: 1.9076710656828886
Energy: 2.050678362884505
Energy: 2.1134515680024557
Energy: 1.853711386195215
Energy: 2.113451568001233
Energy: 1.7787832570709299
Energy: 1.8747605678213382
Energy: 1.6372533176606532
Energy: 1.8747605678213382
Energy: 1.9844660702348222
Energy: 2.001564230800498
Energy: 2.1043787785580608
Energy: 2.0015642308017205
Energy: 2.000227312319255
Energy: 2.0828582476233257
Energy: 2.122516904113572
Energy: 2.082858247621492
Energy: 2.085440096274611
Energy: 2.1287033218186386
Energy: 1.9859089494940076
Energy: 2.1287033218174165
Energy: 1.9495501975637364
Energy: 1.9191634015244272
Energy: 1.5525223220061142
Energy: 1.9191634015244272
Energy: 2.1724886301864257
Energy: 1.923686534597824
Energy: 1.5937806164850306
Energy: 1.923686534600269
Energy: 2.207348710320354
Energy: 1.6417350212678976
Energy: 1.5594532739078515
Energy: 1.6417350212697315
Energy: 2.135534728452762
Energy: 1.8588305585777192
Energy: 1.6935314843749218
Energy: 1.858830558578942
Energy: 2.0429892520660644
Energy: 2.0201228194731478
Energy: 2.370700196019922
Energy: 2.020122819480483
Energy: 2.0077014967347777
Energy: 2.1659476435322818
Energy: 2.382717898972481
Energy: 2.1659476435322818
Energy: 1.6757968561822938
Energy: 1.951775454448185
Energy: 1.782491008116631
Energy: 1.9517754544487962
Energy: 2.0160321473282385
Energy: 1.6983199773594433
Energy: 1.4725869660857092
Energy: 1.6983199774217916
Energy: 2.1838738074050017
Energy: 1.9884981958882193
Energy: 1.7084895565457856
Energy: 1.9884981958863857
Energy: 2.124314068492342
Energy: 2.045185477440069
Energy: 1.8325743611433438
Energy: 2.045185477439458
Energy: 1.96308417771762
Energy: 2.1374510062323577
Energy: 2.378702768679195
Energy: 2.1374510062323577
Energy: 1.7590277607038207
Energy: 1.908256227681154
Energy: 1.9553810030453158
Energy: 1.9082562276805428
Energy: 1.7652694898440933
Energy: 1.9734046508660346
Energy: 2.0539876864449083
Energy: 1.9734046508660346
Energy: 1.635597438521525
Energy: 1.894887379437613
Energy: 1.7830790259993734
Energy: 1.8948873794370016
Energy: 2.1206047065822626
Energy: 2.0025343410741545
Energy: 1.9096277576258058
Energy: 2.002534341072321
Energy: 2.1252523740570246
Energy: 2.01214070377514
Energy: 1.9996108605415468
Energy: 2.0121407037739174

minimum gb energy = 1.4725869660857092 eV
minimum distance =  2.46537769401262 Angstroms
sigma value = 73


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

Energy: 2.1702320266116373
Energy: 1.9919851906104726
Energy: 1.9230444912013587
Energy: 1.886058879533377
Energy: 1.969467144455805
Energy: 2.1268364628397767
Energy: 2.219372972519051
Energy: 2.1268364628397767
Energy: 1.7322485983331646
Energy: 2.0792406293712924
Energy: 1.863489926864394
Energy: 2.0792406293712924
Energy: 1.6831441101206481
Energy: 1.8474380496267566
Energy: 2.0729144243295208
Energy: 1.8474380496267566
Energy: 1.6211108314293152
Energy: 1.9718826157634664
Energy: 2.3631197448558283
Energy: 1.9718826157634664
Energy: 1.924618179097271
Energy: 2.0071140457898236
Energy: 2.088297165177257
Energy: 2.0071140457888537
Energy: 2.5574572942400184
Energy: 2.152540765360136
Energy: 1.9982792135579623
Energy: 2.152540765360136
Energy: 2.2257291483399975
Energy: 1.9834932334042752
Energy: 1.9479988417876153
Energy: 1.9834932334033053
Energy: 2.076074622655555
Energy: 1.8460229088384872
Energy: 1.9226876101095633
Energy: 1.8460229088384872
Energy: 1.6101306332552294
Energy: 1.9397916968730153
Energy: 1.969652666891686
Energy: 1.9397916968739852
Energy: 1.7483129174927285
Energy: 1.9628003479307443
Energy: 1.995749603675922
Energy: 1.9628003479307443
Energy: 1.8490612713904833
Energy: 1.808499687932455
Energy: 1.9900572962813206
Energy: 1.8084996879285757
Energy: 1.9116782356405988
Energy: 2.020505047825918
Energy: 1.8997761341783732
Energy: 2.020505047826888
Energy: 1.8612201090573663
Energy: 1.913712117207407
Energy: 1.7873565117425323
Energy: 1.913712117207407
Energy: 2.069389537763256
Energy: 1.9854277160806777
Energy: 1.6908949949417762
Energy: 1.985427716079708
Energy: 2.1792476521897948
Energy: 1.9547955076612282
Energy: 1.6697281829085526
Energy: 1.9547955076612282
Energy: 2.178708154469011
Energy: 2.0688215423559133
Energy: 1.9637855081058058
Energy: 2.0688215423559133
Energy: 1.9820162780657475
Energy: 2.0919684235927267
Energy: 2.550534833552289
Energy: 2.0919684235927267
Energy: 1.9443674955419061
Energy: 2.023185062665029
Energy: 2.119547728757212
Energy: 2.023185062664059
Energy: 1.759482918527752
Energy: 1.8460733788871329
Energy: 2.0342521094977912
Energy: 1.846073378890968
Energy: 2.009861608079547
Energy: 1.9826198006436477
Energy: 1.6845710252223043
Energy: 1.982619800642678
Energy: 2.174006453171509
Energy: 2.0751954925164693
Energy: 1.9063646840180686
Energy: 2.0751954925164693

minimum gb energy = 1.6101306332552294 eV
minimum distance =  2.45059616806051 Angstroms
sigma value = 7


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

Energy: 2.393317722961668
Energy: 1.9628686250427967
Energy: 1.9488261878073123
Energy: 1.8750559296287024
Energy: 2.0880426170008857
Energy: 2.1098900090097086
Energy: 2.013502825958963
Energy: 2.109890009005594
Energy: 1.6530193744555386
Energy: 1.8980261911301708
Energy: 1.693630744957787
Energy: 1.8980261911274279
Energy: 1.6203143684339398
Energy: 1.8823528961588558
Energy: 1.9486849788611598
Energy: 1.882352896154741
Energy: 1.7471358675671296
Energy: 1.957471495210582
Energy: 1.8805216823857358
Energy: 1.9574714952064676
Energy: 1.8857957671643752
Energy: 1.9959081571806545
Energy: 1.8827292976907801
Energy: 1.9959081571799686
Energy: 2.1390077531864797
Energy: 2.087945896956084
Energy: 1.8984257735708123
Energy: 2.0879458969553983
Energy: 2.1221375222505454
Energy: 1.918824112169953
Energy: 1.7635134871609912
Energy: 1.9188241121706386
Energy: 1.9474272941921784
Energy: 1.908187532209068
Energy: 1.5757690571801308
Energy: 1.9081875322104394
Energy: 1.869493854035821
Energy: 1.9448611159897067
Energy: 1.8461582805867471
Energy: 1.9448611159924498
Energy: 2.0734142392364303
Energy: 2.147461215124941
Energy: 2.1089306805541193
Energy: 2.147461215123569
Energy: 1.9275716507957796
Energy: 2.111049970408084
Energy: 2.134085083799116
Energy: 2.1110499704128225
Energy: 1.7666558414044806
Energy: 1.9326258990111835
Energy: 1.8867296368152047
Energy: 1.932625899010498
Energy: 1.7008167280057354
Energy: 1.896554005254999
Energy: 1.5718857592041418
Energy: 1.896554005254999
Energy: 1.988495815567406
Energy: 1.8628573242428572
Energy: 1.6062488494339566
Energy: 1.8628573242428572
Energy: 2.3986494911570544
Energy: 1.9975720647500512
Energy: 1.9259773963525284
Energy: 1.997572064749365
Energy: 2.371254485583983
Energy: 2.1107058569283943
Energy: 2.0189335389785907
Energy: 2.1107058569304518
Energy: 1.8545320088832642
Energy: 1.892626506334328
Energy: 1.6916998986686589
Energy: 1.892626506334328
Energy: 1.5718364320672162
Energy: 1.8204765154948246
Energy: 1.9492724458847193
Energy: 1.820476515496882
Energy: 1.7248416237078157
Energy: 1.9109935852929756
Energy: 2.169552171427968
Energy: 1.9109935852957185
Energy: 1.8524763845394172
Energy: 2.0713283145419092
Energy: 1.8749967463880395
Energy: 2.0713283145425954
Energy: 2.109301128428547
Energy: 1.99674395839407
Energy: 1.9107298060359537
Energy: 1.9967439583926982
Energy: 2.0994375955003792
Energy: 1.8440020916195146
Energy: 1.7627462600395327
Energy: 1.8440020916188289
Energy: 1.9523605935094444
Energy: 1.8992172597830295
Energy: 1.6219599585473725
Energy: 1.8992172597823438
Energy: 1.871561282687072
Energy: 1.9304108726030513
Energy: 1.7583100739116755
Energy: 1.9304108726044227
Energy: 1.970989251898337
Energy: 2.1061112480534274
Energy: 2.1181430713076677
Energy: 2.106111248058228
Energy: 1.9276491734506147
Energy: 2.0404724137962864
Energy: 2.1278893652275
Energy: 2.0404724137976578
Energy: 1.8852047512886596
Energy: 1.9410672280617267
Energy: 2.1991585786854158
Energy: 1.9410672280624126
Energy: 1.6956727664188853
Energy: 1.8744150129609236
Energy: 1.881046196628328
Energy: 1.8744150129609236
Energy: 1.9947795623437232
Energy: 1.9392834113176372
Energy: 1.5708097734462734
Energy: 1.9392834113142081
Energy: 2.342419786309963
Energy: 2.0696118903069567
Energy: 1.961213395620916
Energy: 2.0696118903055853

minimum gb energy = 1.5708097734462734 eV
minimum distance =  2.44732105768806 Angstroms
sigma value = 29


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

Energy: 1.3461693159116113
Energy: 1.6975267166785735
Energy: 1.6386319920809147
Energy: 1.347453993495825
Energy: 1.939156987241925
Energy: 1.879352211711385
Energy: 1.3741672469262556
Energy: 1.879352211711385
Energy: 1.624423660088555
Energy: 1.7754709616254436
Energy: 1.6392627183518111
Energy: 1.7754709616254436
Energy: 1.6481754143762561
Energy: 1.3744179652383872
Energy: 1.3695936151122732
Energy: 1.3744179652383872
Energy: 1.65997235333425
Energy: 1.6247930790323912
Energy: 1.3474489898857085
Energy: 1.624793079034727
Energy: 1.66675023814329
Energy: 1.7293847544496865
Energy: 1.3474652572325883
Energy: 1.7293847544496865
Energy: 1.3600612849205524
Energy: 1.7762895888060595
Energy: 1.9588634368918598
Energy: 1.7762895888037238
Energy: 1.4749444663122118
Energy: 1.6262832555089792
Energy: 1.6455210753859941
Energy: 1.6262832555089792
Energy: 1.66975698998238
Energy: 1.6228847706679137
Energy: 1.7371214177570338
Energy: 1.6228847706679137

minimum gb energy = 1.3461693159116113 eV
minimum distance =  2.50437833554164 Angstroms
sigma value = 5


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

Energy: 1.9679287623842372
Energy: 2.117389982900312
Energy: 1.959232824107319
Energy: 2.0899744898321453
Energy: 2.147003074364329
Energy: 1.812252489034902
Energy: 1.913870561845358
Energy: 1.8122524890342544
Energy: 1.6950270269718182
Energy: 1.90468266281079
Energy: 1.64410991473646
Energy: 1.9046826628101423
Energy: 1.5260702071382688
Energy: 1.6596579862619039
Energy: 1.8115532829168155
Energy: 1.6596579862638474
Energy: 2.0817831582346296
Energy: 2.0126030370675956
Energy: 2.2324817712809693
Energy: 2.012603037068243
Energy: 1.9081138387714933
Energy: 1.8194355587180833
Energy: 2.2368079864302315
Energy: 1.819435558719379
Energy: 1.3980956860554818
Energy: 1.4012373363208919
Energy: 1.997305920089655
Energy: 1.4012373363228352
Energy: 1.4272076908507292
Energy: 1.9662073508170401
Energy: 1.975297066518525
Energy: 1.9662073508163924
Energy: 2.073894860480039
Energy: 1.8831136531807842
Energy: 2.064873567486242
Energy: 1.8831136531840231
Energy: 1.7371696705380675
Energy: 2.054405884828069
Energy: 1.7106427729981202
Energy: 2.054405884833251
Energy: 2.043958645700315
Energy: 1.5089443793769848
Energy: 1.3917672631997273
Energy: 1.5089443793795756
Energy: 2.1237368070291307
Energy: 1.9037815248102072
Energy: 1.6530205444765698
Energy: 1.9037815248076162
Energy: 1.9804020696763178
Energy: 2.0797286316327934
Energy: 1.971979462277062
Energy: 2.0797286316353842
Energy: 1.9654465453260226
Energy: 1.9064063164069427
Energy: 1.7460218682608633
Energy: 1.906406316406295
Energy: 1.6138152129646741
Energy: 1.8832740192330448
Energy: 1.887602256181159
Energy: 1.8832740192323971
Energy: 1.508059459318977
Energy: 1.4818840882931652
Energy: 2.0977919946327517
Energy: 1.4818840882983473
Energy: 1.8583140137488392
Energy: 2.0929425222530793
Energy: 2.3415662212408113
Energy: 2.092942522251784
Energy: 1.8683156434718307
Energy: 1.7892833123007192
Energy: 1.8949312737936472
Energy: 1.7892833122987761
Energy: 1.7405996983501757
Energy: 1.8552004955458536
Energy: 1.6546225313297653
Energy: 1.855200495547149
Energy: 1.9289111873576434
Energy: 1.729028809715336
Energy: 1.5205904426437566
Energy: 1.7290288097185746
Energy: 2.3079766650038454
Energy: 1.9629015215197578
Energy: 2.0431176885254736
Energy: 1.9629015215184622
Energy: 2.230804652407735
Energy: 2.018797301362119
Energy: 1.9340906581055255
Energy: 2.018797301362119
Energy: 1.992378075671713
Energy: 1.4077444411155329
Energy: 1.4102385683142218
Energy: 1.407744441112294
Energy: 1.9779770718432024
Energy: 1.9259236321064443
Energy: 1.49527420821288
Energy: 1.925923632107092
Energy: 1.9651841353910613
Energy: 1.918877799793151
Energy: 2.1624249993840445
Energy: 1.9188777997944464
Energy: 1.7160909737139596
Energy: 2.074025368355087
Energy: 1.7369666716142935
Energy: 2.07402536835703
Energy: 1.386366190386186
Energy: 1.5805755242407211
Energy: 2.0427468953778423
Energy: 1.5805755242394255
Energy: 1.3923083336913444
Energy: 1.4675190414755033
Energy: 2.295946483251216
Energy: 1.4675190414716164
Energy: 1.861507876275892
Energy: 2.0507405315248475
Energy: 1.9738529464855084
Energy: 2.050740531525495
Energy: 1.7851728856243774
Energy: 1.902910832284369
Energy: 1.995575990312487
Energy: 1.9029108322863124
Energy: 1.7841009574193385
Energy: 1.9372387930829602
Energy: 1.4769726045751053
Energy: 1.9372387930842558
Energy: 2.147384758630311
Energy: 1.3979191983914565
Energy: 1.4731282322986226
Energy: 1.3979191983921042
Energy: 2.475382898285207
Energy: 2.036965529610042
Energy: 1.9149757028275167
Energy: 2.036965529608746

minimum gb energy = 1.386366190386186 eV
minimum distance =  2.42599848083819 Angstroms
sigma value = 1


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

Energy: 1.952244717993469
Energy: 2.1095345542119706
Energy: 1.8161348983098549
Energy: 2.058115386670338
Energy: 2.1388872155136265
Energy: 1.5940259853112475
Energy: 1.6755566780776785
Energy: 1.5940259853085605
Energy: 1.6767728949014364
Energy: 1.8373722019541772
Energy: 1.659978548510603
Energy: 1.837372201955073
Energy: 1.3535101746272054
Energy: 1.5930837334410284
Energy: 1.9848111333564789
Energy: 1.5930837334401327
Energy: 2.0822926508978594
Energy: 1.614497187419302
Energy: 2.300268286705077
Energy: 1.6144971874210932
Energy: 1.7691191094499894
Energy: 1.9169975261611227
Energy: 2.3010671282687922
Energy: 1.916997526160227
Energy: 1.3237303330100763
Energy: 1.4624182783115205
Energy: 1.9386886777149177
Energy: 1.4624182783106248
Energy: 1.325239846877085
Energy: 1.5729008616186848
Energy: 1.9604755239746334
Energy: 1.572900861615102
Energy: 2.1486118216711643
Energy: 1.86447644224843
Energy: 2.0116398583654105
Energy: 1.8644764422475344
Energy: 1.6519782990905807
Energy: 1.9565055288238118
Energy: 1.3277896640964308
Energy: 1.9565055288229163
Energy: 2.1534676077476336
Energy: 1.6037467794384836
Energy: 1.3246290081517755
Energy: 1.603746779440275
Energy: 2.1084505659166477
Energy: 1.3257667367311574
Energy: 1.5366893523638023
Energy: 1.325766736729366
Energy: 1.958969860484483
Energy: 1.7146150995097513
Energy: 2.045237430030922
Energy: 1.7146150995097513
Energy: 1.7392846309521672
Energy: 1.593531987083673
Energy: 1.67783701802775
Energy: 1.5935319870845686
Energy: 1.3577782363495052
Energy: 1.884883907664829
Energy: 1.6835986052546126
Energy: 1.884883907664829
Energy: 1.348106855535841
Energy: 1.6649726614729348
Energy: 1.9362879113846734
Energy: 1.6649726614729348
Energy: 1.8659611207359417
Energy: 2.1110811985146856
Energy: 2.30014056202402
Energy: 2.111081198516477
Energy: 1.5160800516234143
Energy: 1.3264194475734308
Energy: 2.182731043550487
Energy: 1.3264194475734308
Energy: 1.3311327511419953
Energy: 1.8750020887969778
Energy: 2.067098166909321
Energy: 1.8750020887978733
Energy: 1.3248943217130336
Energy: 2.0045631095462904
Energy: 1.959054451152968
Energy: 2.0045631095462904
Energy: 1.678573060920257
Energy: 2.0055812188389464
Energy: 1.9934968638583965
Energy: 2.0055812188389464
Energy: 1.6510558053915023
Energy: 1.9962610234024045
Energy: 1.3285626536723913
Energy: 1.9962610234033002
Energy: 1.9916614213455552
Energy: 1.3245199885032077
Energy: 1.3264834605783644
Energy: 1.3245199885032077
Energy: 1.9612346536640792
Energy: 1.719480233025841
Energy: 1.8017695315425504
Energy: 1.7194802330249455

minimum gb energy = 1.3237303330100763 eV
minimum distance =  2.43184721841814 Angstroms
sigma value = 17


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

Energy: 2.0763319459122758
Energy: 2.174233058670912
Energy: 1.951970004274631
Energy: 2.167086244609847
Energy: 2.1803587463220535
Energy: 1.4968876144739145
Energy: 1.548046325769698
Energy: 1.4968876144744179
Energy: 1.7524534911071046
Energy: 1.8258693866785298
Energy: 1.513171710692958
Energy: 1.8258693866795361
Energy: 1.6930292395011632
Energy: 1.7580172661405757
Energy: 1.9315608602600236
Energy: 1.7580172661400726
Energy: 2.118573431698621
Energy: 1.8701650017392981
Energy: 1.9314268149048712
Energy: 1.8701650017376876
Energy: 1.5378339819578224
Energy: 1.6998085447954037
Energy: 2.179207712716443
Energy: 1.6998085447942963
Energy: 1.2947807603177066
Energy: 1.2928048370904748
Energy: 2.1830379224914545
Energy: 1.2928048370915821
Energy: 1.5527025627260802
Energy: 1.4137298993683045
Energy: 2.0787861406814483
Energy: 1.413729917422845
Energy: 1.9696752299555613
Energy: 1.7638547660945574
Energy: 2.273686743688673
Energy: 1.7638547660945574
Energy: 1.5043685534173215
Energy: 1.859573778698172
Energy: 1.557118518170587
Energy: 1.8595737786975681
Energy: 1.9601752616575963
Energy: 1.588281017021233
Energy: 1.3214630572491932
Energy: 1.5882810173023567
Energy: 2.316864069423619
Energy: 1.6190832780714663
Energy: 2.079725949420576
Energy: 1.619083263597658
Energy: 2.2938379956708967
Energy: 1.6101286190572828
Energy: 1.9182480341125034
Energy: 1.6101286190628186
Energy: 2.068914183076226
Energy: 1.3089944362593358
Energy: 1.313200767760325
Energy: 1.3089944362576245
Energy: 1.6970785589910746
Energy: 1.961699676319631
Energy: 1.3211898662040922
Energy: 1.961699676320738
Energy: 2.0478097416209726
Energy: 1.8802955489952013
Energy: 2.205064103265721
Energy: 1.8802955489952013
Energy: 1.333230947407292
Energy: 2.038583644840662
Energy: 1.88137107551114
Energy: 2.038583644840662
Energy: 1.3280754812064677
Energy: 1.5614620543641082
Energy: 2.1596014950522338
Energy: 1.5614620543668258
Energy: 1.384556907602287
Energy: 1.3106398177091698
Energy: 2.2887964684354123
Energy: 1.3106398177053453
Energy: 1.9880615930670806
Energy: 2.01047778575574
Energy: 2.0747238184686245
Energy: 2.0104777847436734
Energy: 1.5460878341191109
Energy: 1.4983615486573345
Energy: 2.100186726918003
Energy: 1.498361548655724
Energy: 1.5425930807288672
Energy: 1.8254044593482792
Energy: 1.7479330349301034
Energy: 1.8254044593477758
Energy: 1.9369831989318422
Energy: 1.7595549382081404
Energy: 1.7442005394251034
Energy: 1.7595549382086437
Energy: 1.8892565760796791
Energy: 2.080838245399463
Energy: 2.0158576726276514
Energy: 2.0808382453983554
Energy: 2.1626638909658125
Energy: 1.6973178660685813
Energy: 1.4204945365353026
Energy: 1.697317866066971
Energy: 2.213604263226828
Energy: 1.291935605025483
Energy: 1.2982722575134984
Energy: 1.2919356050259863
Energy: 2.0742172884957695
Energy: 2.0952354612788753
Energy: 1.4654676082554943
Energy: 2.095235461277768
Energy: 2.2785118028287106
Energy: 1.7582479144840868
Energy: 1.9689517809527823
Energy: 1.7582479144851937
Energy: 1.552184955878338
Energy: 1.8587133207479836
Energy: 1.5082166247627389
Energy: 1.8587133207462725
Energy: 1.3236545528488948
Energy: 1.4986372410702653
Energy: 1.962648588293689
Energy: 1.4986372410686548
Energy: 2.048170147627933
Energy: 1.912680370701537
Energy: 2.2605991703721124
Energy: 1.9126803706999265
Energy: 1.8723087244786967
Energy: 1.4306677635679588
Energy: 2.29739197730364
Energy: 1.4306677635602087
Energy: 1.3093535736210453
Energy: 1.3085876025467271
Energy: 2.064681136062898
Energy: 1.3085876025467271
Energy: 1.3328481081872592
Energy: 1.9649490056280752
Energy: 1.6921669856961634
Energy: 1.9649490056275718
Energy: 2.226463739871889
Energy: 1.8775456145707918
Energy: 2.0449391189475628
Energy: 1.8775456145718992
Energy: 1.8804885950612957
Energy: 2.0071399617807306
Energy: 1.335310546256182
Energy: 2.0071399617807306
Energy: 2.1616750978499417
Energy: 1.5199894026961684
Energy: 1.3101401863858837
Energy: 1.5199894027011005
Energy: 2.2734085644030593
Energy: 1.3108774196188056
Energy: 1.5686279241420715
Energy: 1.3108774196148802

minimum gb energy = 1.291935605025483 eV
minimum distance =  2.46774882728709 Angstroms
sigma value = 89


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

Energy: 2.4592823462280315
Energy: 1.3951680438735619
Energy: 1.7377072062659116
Energy: 1.8205457415686939
Energy: 2.1990255524054985
Energy: 1.7527525210767754
Energy: 1.8827630322793383
Energy: 1.7527525210767754
Energy: 1.469123947418611
Energy: 1.8208594429606597
Energy: 1.7813081833849855
Energy: 1.8208594429606597
Energy: 1.4166485921475116
Energy: 1.6230071967028417
Energy: 2.147277317726724
Energy: 1.6230071967028417
Energy: 2.0201252253809603
Energy: 1.88986671211054
Energy: 1.9066133345574865
Energy: 1.88986671211054
Energy: 1.9469528651565238
Energy: 1.8456852978593346
Energy: 1.8836697496072854
Energy: 1.8456852978593346
Energy: 1.4056441651147387
Energy: 1.4348485654314853
Energy: 2.1641998705727925
Energy: 1.4348485654314853
Energy: 1.4030797504936734
Energy: 1.7623775308482539
Energy: 2.161980755917635
Energy: 1.7623775308482539
Energy: 1.874625998232638
Energy: 1.7284904097185516
Energy: 2.104907720969864
Energy: 1.7284904097185516
Energy: 1.9192060735359289
Energy: 1.7979486543150458
Energy: 1.709741899427429
Energy: 1.7979486543150458
Energy: 2.0957262999904827
Energy: 1.63040803171795
Energy: 1.4132798854223168
Energy: 1.630408043139951
Energy: 1.9214531910644865
Energy: 1.8367061741500323
Energy: 2.1027081178271265
Energy: 1.8367061741514807
Energy: 1.914287134155993
Energy: 1.879398579713221
Energy: 1.657366642346177
Energy: 1.879398579713221
Energy: 2.14495293367766
Energy: 1.289214335457923
Energy: 1.2882579938177168
Energy: 1.289214335457923
Energy: 2.2609934652923798
Energy: 1.7419967513885757
Energy: 1.3932571685857862
Energy: 1.741996751387127

minimum gb energy = 1.2882579938177168 eV
minimum distance =  2.46794457290825 Angstroms
sigma value = 13


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

Energy: 1.88422076912317
Energy: 1.3796032320766118
Energy: 2.004224783707266
Energy: 1.4118340497370145
Energy: 2.1906291693026256
Energy: 1.3561918756166276
Energy: 1.3763209400844587
Energy: 1.356191875623306
Energy: 1.9246152375768364
Energy: 1.6133934480759957
Energy: 1.321598594474834
Energy: 1.6133934480759957
Energy: 1.469841615983566
Energy: 1.826921062720066
Energy: 1.3708504882096642
Energy: 1.826921062720066
Energy: 1.9559519017975677
Energy: 1.775093534479085
Energy: 1.7593889133177512
Energy: 1.775093534479692
Energy: 1.3742356788719303
Energy: 1.634702391610436
Energy: 1.753186778584615
Energy: 1.634702391610436
Energy: 1.369789997970812
Energy: 1.3643470630534626
Energy: 2.095501575518972
Energy: 1.3643470630540697
Energy: 1.8814902904074458
Energy: 1.283359029071603
Energy: 2.147866411379331
Energy: 1.2833590290740315
Energy: 1.2860327503645224
Energy: 1.271618763848244
Energy: 2.151511140993315
Energy: 1.271618763848851
Energy: 1.1647062485492312
Energy: 1.1602854316659932
Energy: 2.063127446011446
Energy: 1.1602854316659932
Energy: 1.529699866041178
Energy: 1.2563713254516296
Energy: 1.884052888127857
Energy: 1.2563713254498081
Energy: 1.7549723120299459
Energy: 1.6688231415500752
Energy: 2.1101885249577994
Energy: 1.6688231415543249
Energy: 1.7664498232173687
Energy: 1.7256433938749811
Energy: 1.76422416407401
Energy: 1.725643393879231
Energy: 1.961913980632614
Energy: 1.665735969378679
Energy: 1.4708982728854187
Energy: 1.6657359693804452
Energy: 2.1147025452320274
Energy: 1.745098519084797
Energy: 1.6245243079654683
Energy: 1.7450985190829758
Energy: 2.0208021653165593
Energy: 1.2612554061451
Energy: 1.1593889762099894
Energy: 1.2612554061469212
Energy: 2.1014060444774936
Energy: 1.1604700139615016
Energy: 1.1657538102722043
Energy: 1.1604700139590731
Energy: 1.8875269402285197
Energy: 1.378163461322271
Energy: 1.37541535930139
Energy: 1.3781634614272462
Energy: 2.1303410663436653
Energy: 1.3651670002889773
Energy: 1.4998025787242142
Energy: 1.3651670003065834
Energy: 2.0175104665458723
Energy: 1.6137125086475426
Energy: 1.3136978291131998
Energy: 1.6137125086511852
Energy: 1.4658683800353547
Energy: 1.7290651205709306
Energy: 1.3685062187542016
Energy: 1.7290651205721448
Energy: 1.9232241384794968
Energy: 1.7760723601419481
Energy: 1.7534279066494096
Energy: 1.7760723601419481
Energy: 1.382368626708276
Energy: 1.660166259660596
Energy: 1.68650292904489
Energy: 1.6601662596587745
Energy: 1.157220809161948
Energy: 1.3670110840755294
Energy: 2.068394373045227
Energy: 1.3670110840882788
Energy: 1.9556030521213232
Energy: 1.289073470264057
Energy: 2.1192079873469996
Energy: 1.2890734699375965
Energy: 1.2700724308949531
Energy: 1.4805751028824086
Energy: 2.0907789406646207
Energy: 1.4805751028836227
Energy: 1.1609534186556592
Energy: 1.1601660671446803
Energy: 2.063937247349444
Energy: 1.1601660671410376
Energy: 1.2548205378697421
Energy: 1.1625585540849213
Energy: 1.8877560542382577
Energy: 1.162558554098278
Energy: 1.7917583159661394
Energy: 1.6725690571492968
Energy: 2.103042586448688
Energy: 1.6725690571492968
Energy: 1.312831968196284
Energy: 1.738844555699463
Energy: 1.7679321365497702
Energy: 1.738844555699463
Energy: 1.775183018755282
Energy: 1.671829482987578
Energy: 1.4668319442140598
Energy: 1.6718294829887919
Energy: 2.0194386197560976
Energy: 1.7591883467086158
Energy: 2.0708238865991047
Energy: 1.7591883467092229
Energy: 2.0341823941912214
Energy: 1.559852036147417
Energy: 1.2540632527679683
Energy: 1.5598520361462025
Energy: 2.0663495734692194
Energy: 1.1605506097551035
Energy: 1.161339545969441
Energy: 1.160550609758139
Energy: 2.2100781742020734
Energy: 1.3780179211229637
Energy: 1.3696805693699703
Energy: 1.378017921125392

minimum gb energy = 1.157220809161948 eV
minimum distance =  2.48212045586908 Angstroms
sigma value = 37


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

Energy: 1.829801363460893
Energy: 1.18879003317431
Energy: 1.2784962097241153
Energy: 1.2524496195637058
Energy: 2.190601148659818
Energy: 1.505392245157259
Energy: 1.521170392938525
Energy: 1.505392245157259
Energy: 1.8461969911436658
Energy: 1.3959212435865387
Energy: 1.3669508586569104
Energy: 1.3959212435854944
Energy: 1.8376726695804315
Energy: 1.6749764835107923
Energy: 2.155631130504069
Energy: 1.674976483511837
Energy: 2.126070282608976
Energy: 1.735943629688459
Energy: 1.4712807054491626
Energy: 1.7359436296894557
Energy: 1.3913628636941249
Energy: 1.3892356326199464
Energy: 1.9704282899344918
Energy: 1.3892356326189017
Energy: 1.1985001605737444
Energy: 1.3348156926526822
Energy: 2.036749901449244
Energy: 1.3348156926526822
Energy: 1.7133557454307313
Energy: 1.5844181772056576
Energy: 2.2815335905400964
Energy: 1.5844181772067023
Energy: 1.4770380216613095
Energy: 1.2894975351817013
Energy: 2.088046581526121
Energy: 1.2894975351817013
Energy: 1.2365128088167239
Energy: 1.2411095255687474
Energy: 2.0699931236405495
Energy: 1.2411095255687474
Energy: 1.4594171438733747
Energy: 1.5005648486128607
Energy: 1.60586096744658
Energy: 1.5005648487652647
Energy: 1.5683186783053873
Energy: 1.542897561483698
Energy: 2.1009178125977255
Energy: 1.542897561483698
Energy: 1.5659780752552106
Energy: 1.5782107212908751
Energy: 1.8798979697477831
Energy: 1.5782107212898306
Energy: 1.8714571784606404
Energy: 1.6929205657306892
Energy: 1.8355906958046009
Energy: 1.692920565732778
Energy: 1.4712807054491626
Energy: 1.640947140487903
Energy: 2.0314277962424954
Energy: 1.640947140487903
Energy: 1.880009523496764
Energy: 1.3983871006833872
Energy: 1.4838072551329489
Energy: 1.3983871006833872
Energy: 2.1345289594959698
Energy: 1.4411588429104099
Energy: 1.1983682420249622
Energy: 1.4411588429104099
Energy: 2.2815335905400964
Energy: 1.2778431366431389
Energy: 1.8021810282997042
Energy: 1.2778431366358272
Energy: 2.088046581526121
Energy: 1.09517111364235
Energy: 1.276918051452241
Energy: 1.0951711136413054
Energy: 2.1606597156262715
Energy: 1.1825238592957616
Energy: 1.1823880452898181
Energy: 1.1825238592957616

minimum gb energy = 1.0951711136413054 eV
minimum distance =  2.47804304389991 Angstroms
sigma value = 25


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

Energy: 2.1268008471311606
Energy: 1.0518237599033704
Energy: 1.5412766792990975
Energy: 1.0384244608508386
Energy: 2.119144928151334
Energy: 0.9827644793883464
Energy: 1.3214387415367108
Energy: 0.9827644793883464
Energy: 1.9033035923629857
Energy: 1.2555917890223893
Energy: 1.253903409365143
Energy: 1.2555917890223893
Energy: 1.5168483032977098
Energy: 1.3136246713148536
Energy: 2.0312560574866425
Energy: 1.3136246713188948
Energy: 1.98938251931864
Energy: 1.5754532825811607
Energy: 1.6671608709959576
Energy: 1.5754532825803451
Energy: 1.5878541237905488
Energy: 1.5057798352159764
Energy: 1.6833410529146788
Energy: 1.5057798352143452
Energy: 1.5231336920217835
Energy: 1.5338795333250295
Energy: 2.060722173112623
Energy: 1.5338795333258453
Energy: 1.777663321160232
Energy: 1.2060759814764035
Energy: 1.8071006117161459
Energy: 1.206075981543248
Energy: 1.2196746652238197
Energy: 1.1886077960009995
Energy: 1.949528147896965
Energy: 1.1886077960009995
Energy: 1.2231665483334604
Energy: 1.1711239984067772
Energy: 2.019132344116863
Energy: 1.1711239984051458
Energy: 1.3260171163426493
Energy: 1.329436572330946
Energy: 1.8021634882546906
Energy: 1.3294365723301307
Energy: 1.0826094736147194
Energy: 1.1275803217276192
Energy: 2.0421561852570904
Energy: 1.1275803217316973
Energy: 1.1098539709825206
Energy: 0.9683871894391772
Energy: 2.06790256011226
Energy: 0.9683871894424397
Energy: 1.4621277247613669
Energy: 0.9663251411899669
Energy: 1.9510569297900142
Energy: 0.9663251411891512
Energy: 1.277878905360335
Energy: 0.9653466456452195
Energy: 2.136690067290508
Energy: 0.9653466456460351
Energy: 1.4549352007746295
Energy: 1.4492565272337434
Energy: 1.9066260764680647
Energy: 1.449256527232112
Energy: 1.7965989161139515
Energy: 1.5280972772768264
Energy: 1.924253788431841
Energy: 1.5280972772760106
Energy: 1.2714220720259954
Energy: 1.6493262732889495
Energy: 2.045549932949199
Energy: 1.649326273288134
Energy: 1.653988605589277
Energy: 1.5312600299656105
Energy: 1.5320900850652506
Energy: 1.5312600299664263
Energy: 2.0740895206242693
Energy: 1.5478341596202363
Energy: 1.588035322735351
Energy: 1.5478341596194207
Energy: 1.8029399626151645
Energy: 1.2475322087358551
Energy: 1.7416203056971937
Energy: 1.2475322087358551
Energy: 1.946261396347347
Energy: 1.257516746980209
Energy: 1.071402500083889
Energy: 1.257516746980209
Energy: 2.0010233341948616
Energy: 1.122359015196697
Energy: 1.4378725089325257
Energy: 1.1223590151975127
Energy: 1.8054246691388927
Energy: 1.1204346186309335
Energy: 1.1195695963732963
Energy: 1.1204346186325649
Energy: 2.1465924352752705
Energy: 0.9815227408376398
Energy: 0.9844350577197433
Energy: 0.9815227408376398
Energy: 1.926552372257193
Energy: 1.1219830627680065
Energy: 1.0483059648160862
Energy: 1.1219830627680065

minimum gb energy = 0.9653466456452195 eV
minimum distance =  2.4887908522079 Angstroms
sigma value = 41


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

Energy: 2.1585198672655377
Energy: 0.9472484749107262
Energy: 1.0772797040932032
Energy: 0.9504933169515511
Energy: 2.0071160607298264
Energy: 0.8896703326425554
Energy: 1.114172253666843
Energy: 0.889670332641218
Energy: 1.8579262560880179
Energy: 1.1072717553472693
Energy: 1.0561808890143778
Energy: 1.1072717553472693
Energy: 1.6653047188075534
Energy: 1.175675167064722
Energy: 1.7208199869096246
Energy: 1.175675167064722
Energy: 1.9198499530283244
Energy: 1.4753440391527424
Energy: 1.476282814602916
Energy: 1.4753440391514048
Energy: 1.6101485323670015
Energy: 1.387994013352224
Energy: 1.4730015096541462
Energy: 1.3879940133508868
Energy: 1.617469293768956
Energy: 1.5382198611961586
Energy: 1.7992151220078738
Energy: 1.5382198611954898
Energy: 1.966952399379951
Energy: 1.4512209952806352
Energy: 1.4369860997263264
Energy: 1.4512209952799666
Energy: 1.2762849012159778
Energy: 1.398167093755187
Energy: 1.7516154645714102
Energy: 1.3981670937578616
Energy: 1.3304075233206574
Energy: 1.3903914341657662
Energy: 2.0647483455417763
Energy: 1.3903914341650974
Energy: 1.1110042678379308
Energy: 1.1140201757501147
Energy: 1.9112023134627323
Energy: 1.1140201757407533
Energy: 1.0486241103627993
Energy: 1.1220103280821132
Energy: 1.9510622360631888
Energy: 1.1220103280847882
Energy: 1.228682318033841
Energy: 1.0006936289047992
Energy: 1.9556572828568815
Energy: 1.0006936288874135
Energy: 0.9964908888649572
Energy: 0.999508942419452
Energy: 1.913104529204529
Energy: 0.999508942419452
Energy: 0.888931782773722
Energy: 0.8873255268717364
Energy: 2.0028955787876246
Energy: 0.8873255268717364
Energy: 0.8860422000173057
Energy: 0.999016223741133
Energy: 1.8943503982041552
Energy: 0.999016223741133
Energy: 1.3007188169787063
Energy: 1.0025645895453286
Energy: 1.8987460875234843
Energy: 1.002564589546666
Energy: 1.0474019704797783
Energy: 0.8850303560384862
Energy: 1.8997983225207766
Energy: 0.8850303560291246
Energy: 1.126195954348044
Energy: 1.1209096746700828
Energy: 1.6991694427836075
Energy: 1.1209096746687455
Energy: 1.479716549970828
Energy: 1.410229289956932
Energy: 1.6104980152263202
Energy: 1.4102292899562634
Energy: 1.4354380765572274
Energy: 1.4706244052726463
Energy: 1.7272730246490478
Energy: 1.4706244052733148
Energy: 1.4817437665301727
Energy: 1.468838848004791
Energy: 1.6697426155265769
Energy: 1.468838848004791
Energy: 1.7097150152681218
Energy: 1.4476112729316175
Energy: 1.6099766246835083
Energy: 1.4476112729316175
Energy: 1.4387283496050807
Energy: 1.4001199016152788
Energy: 1.4838166124128946
Energy: 1.4001199016146102
Energy: 1.7625764745116743
Energy: 1.4568268421125559
Energy: 1.205719784491485
Energy: 1.4568268421132247
Energy: 1.7537755779978281
Energy: 1.1831812145080491
Energy: 1.4675072936630948
Energy: 1.1831812145087177
Energy: 1.7579905223654626
Energy: 1.1761508670162162
Energy: 1.1124445536428442
Energy: 1.1761508670182226
Energy: 1.966353922732734
Energy: 0.8859339065429539
Energy: 1.045511625355456
Energy: 0.8859339065436225
Energy: 1.9357102863285462
Energy: 1.0029612064626428
Energy: 1.2230969125150926
Energy: 1.0029612064619742
Energy: 1.7528151890915373
Energy: 0.9986954261180043
Energy: 0.9968693585878404
Energy: 0.998695426118673
Energy: 1.9847030477037693
Energy: 0.8878795017140784
Energy: 0.8881943330182446
Energy: 0.8878795017140784
Energy: 2.1643067305479597
Energy: 0.8863852272825792
Energy: 0.9977032607472526
Energy: 0.8863852272825792

minimum gb energy = 0.8850303560291246 eV
minimum distance =  2.48725345400126 Angstroms
sigma value = 15


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

Energy: 1.8707540011963903
Energy: 0.8768604296580518
Energy: 1.1731293427664529
Energy: 0.8849786532192282
Energy: 2.01746039833122
Energy: 0.8223546377635772
Energy: 1.0182686084241415
Energy: 0.822354637758479
Energy: 1.860909518382325
Energy: 1.0106214737467691
Energy: 0.9629032654180956
Energy: 1.0106214737456363
Energy: 1.8733080635332404
Energy: 1.0614748884648284
Energy: 1.4118122082304767
Energy: 1.061474888466528
Energy: 1.9367805029763725
Energy: 1.1608925107534382
Energy: 1.301314405805191
Energy: 1.1608925107489063
Energy: 1.6828676156986488
Energy: 1.2614806846090525
Energy: 1.3240397831073192
Energy: 1.2614806846084858
Energy: 1.4726232406093145
Energy: 1.3382277256409263
Energy: 1.5441175216095921
Energy: 1.3382277256409263
Energy: 1.8052814762817702
Energy: 1.3308385623002046
Energy: 1.2760657068705723
Energy: 1.3308385623007708
Energy: 1.442708350458769
Energy: 1.3189703029813227
Energy: 1.5648313458624439
Energy: 1.3189703029807565
Energy: 1.4417147688944127
Energy: 1.3378568001960451
Energy: 1.816312413988337
Energy: 1.337856800197178
Energy: 1.3708305818251467
Energy: 1.301882970636145
Energy: 1.6682766584519773
Energy: 1.3018829705534922
Energy: 1.0904872900770093
Energy: 1.2643303559617254
Energy: 1.74830040431344
Energy: 1.2643303559622918
Energy: 1.3218304332458504
Energy: 1.2738924384179873
Energy: 1.8021174143731673
Energy: 1.2738924384185537
Energy: 1.0133928894381363
Energy: 1.0161540831197065
Energy: 1.670059321343811
Energy: 1.016154083118007
Energy: 0.9552634337994139
Energy: 1.013672146245991
Energy: 1.9679894005917016
Energy: 1.0136721462318292
Energy: 1.1199684428288004
Energy: 0.9158665354417094
Energy: 1.8063291077041244
Energy: 0.9158665354456746
Energy: 0.911642709422191
Energy: 0.9177101572573
Energy: 1.8145766847526072
Energy: 0.9177101572612654
Energy: 0.81909324441879
Energy: 0.8198300070313699
Energy: 2.0130957391688975
Energy: 0.8198300070325029
Energy: 0.9121497824074647
Energy: 0.914420709087245
Energy: 1.7647865192600563
Energy: 0.9144207090917769
Energy: 1.186655491350927
Energy: 0.9157616800187033
Energy: 1.9011835191124227
Energy: 0.9157616801404425
Energy: 0.951046723024047
Energy: 1.0415765055212862
Energy: 1.9302407852012333
Energy: 1.0415765055309163
Energy: 1.0547276897158848
Energy: 1.0131282975707012
Energy: 1.8776918620567533
Energy: 1.013128297884936
Energy: 1.3277818167819613
Energy: 1.2748475394294163
Energy: 1.6801903204311766
Energy: 1.2748475394294163
Energy: 1.2792221169845133
Energy: 1.313719565394789
Energy: 1.7738654957862283
Energy: 1.313719565394789
Energy: 1.3422641729585691
Energy: 1.267927676052934
Energy: 1.4640215086531276
Energy: 1.267927676056333
Energy: 1.5425515020863396
Energy: 1.3309011308541199
Energy: 1.8177776791180293
Energy: 1.3309011308535532
Energy: 1.302211959026976
Energy: 1.3271429591324113
Energy: 1.5446235283440368
Energy: 1.3271429591335444
Energy: 1.5809752693524817
Energy: 1.4987521465343898
Energy: 1.465028127136958
Energy: 1.498752146533257
Energy: 1.6048127013244022
Energy: 1.3432747823085998
Energy: 1.5480767150739463
Energy: 1.3432747823074669
Energy: 1.5626424403266672
Energy: 1.2731907787709564
Energy: 1.3282531886831888
Energy: 1.2731907787703898
Energy: 1.964115012035706
Energy: 1.0830354139844063
Energy: 1.0902759852383346
Energy: 1.0830354139832734
Energy: 1.6715134418618849
Energy: 1.0655566027891137
Energy: 1.403717136728048
Energy: 1.0655566027913794
Energy: 1.8026326560026371
Energy: 1.0133592482765033
Energy: 1.0193722144023047
Energy: 1.0133592470098816
Energy: 1.986194095076175
Energy: 0.8219775657209231
Energy: 1.0182160427639189
Energy: 0.8219775657214895
Energy: 2.084722553059357
Energy: 0.9156349280338325
Energy: 1.1727443391979995
Energy: 0.9156349280440288
Energy: 1.988673946535039
Energy: 0.8211277047111507
Energy: 0.8280578832790537
Energy: 0.8211277047111507
Energy: 1.9533110276767631
Energy: 0.8203447665968007
Energy: 0.8305088528645621
Energy: 0.8203447665973672

minimum gb energy = 0.81909324441879 eV
minimum distance =  2.48373869549371 Angstroms
sigma value = 85


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

Energy: 1.9979640447923976
Energy: 0.8229309550001744
Energy: 1.1381859132811045
Energy: 0.8448472015928548
Energy: 2.0061117276894413
Energy: 0.7444014496789886
Energy: 0.9118572435435032
Energy: 0.7444014496789886
Energy: 1.7098750592170635
Energy: 0.9113373494654724
Energy: 0.8561527343235817
Energy: 0.9113373494659638
Energy: 1.641141986443095
Energy: 0.9590686079540232
Energy: 1.184240131298726
Energy: 0.9590686079545144
Energy: 1.919953543000769
Energy: 1.0328051316956954
Energy: 1.1607380402966616
Energy: 1.0328051317069953
Energy: 1.4989798358681572
Energy: 1.142110614080946
Energy: 1.1881382746872748
Energy: 1.1421106140804547
Energy: 1.6069096802090541
Energy: 1.1867092915582547
Energy: 1.376242358640276
Energy: 1.1867092915592374
Energy: 1.8221831596361304
Energy: 1.1892770086638207
Energy: 1.1335897196938183
Energy: 1.189277008664312
Energy: 1.5056598532613774
Energy: 1.2144268592194825
Energy: 1.3998840926292693
Energy: 1.2144268592194825
Energy: 1.5027476550819563
Energy: 1.2260570380835272
Energy: 1.6290968663580148
Energy: 1.2260570380840186
Energy: 1.3963828449065943
Energy: 1.2064271551745693
Energy: 1.4662712911934812
Energy: 1.2064271551745693
Energy: 1.3002967282097782
Energy: 1.2035968298130466
Energy: 1.6117147441429673
Energy: 1.2035968298125554
Energy: 1.3795358690465895
Energy: 1.211250156677668
Energy: 1.6058071961932954
Energy: 1.2112501566781595
Energy: 1.2212144890765202
Energy: 1.1360377403174526
Energy: 1.4702355903421434
Energy: 1.1360377403169615
Energy: 0.9707167613805547
Energy: 1.142949226349791
Energy: 1.767113701294518
Energy: 1.1429492263502823
Energy: 1.183410824742301
Energy: 0.9756614506654785
Energy: 1.6073228496807659
Energy: 0.9756614506679351
Energy: 0.9119812002556673
Energy: 0.9582306775050929
Energy: 1.611625096473328
Energy: 0.9582306775055843
Energy: 0.8565202381021799
Energy: 0.9157361797453275
Energy: 1.9728951024478287
Energy: 0.9157361797458188
Energy: 0.9915384031465418
Energy: 0.8249662591172321
Energy: 1.813876045229322
Energy: 0.8249662591162494
Energy: 0.8228826900091369
Energy: 0.8245720423324443
Energy: 1.8135806435237052
Energy: 0.8245720423324443
Energy: 0.7443160783884732
Energy: 0.7425153984953143
Energy: 1.9953641042898989
Energy: 0.7425153984953143
Energy: 0.8230143879395962
Energy: 0.8255887763437422
Energy: 2.0040774429921093
Energy: 0.8255887763427596
Energy: 1.051205805242469
Energy: 0.8259565263961971
Energy: 1.8964917648043085
Energy: 0.8259565263966884
Energy: 0.8602458463378052
Energy: 0.9118862160928363
Energy: 1.9730750020622565
Energy: 0.9118862160913623
Energy: 0.9456842119303271
Energy: 0.9134404413064299
Energy: 1.638622792242534
Energy: 0.9134404412986138
Energy: 1.185793469535318
Energy: 0.9770183722454236
Energy: 1.919132606715088
Energy: 0.9770183722439497
Energy: 1.1838839940285752
Energy: 1.1333840817235323
Energy: 1.6874880065172717
Energy: 1.1333840817240235
Energy: 1.376949712016735
Energy: 1.146836220125306
Energy: 1.6397001310212684
Energy: 1.1468362200992674
Energy: 1.398817475891821
Energy: 1.2067453964350217
Energy: 1.8785905281155753
Energy: 1.2067453964350217
Energy: 1.395818435266431
Energy: 1.2099873649707564
Energy: 1.5000091200651002
Energy: 1.2099873649712478
Energy: 1.633724320395615
Energy: 1.216123005517661
Energy: 1.2986206351373002
Energy: 1.2161230055181524
Energy: 1.4708456575028932
Energy: 1.2171075795985435
Energy: 1.5658882631746958
Energy: 1.217107579599035
Energy: 1.6080825241897136
Energy: 1.2133337987150916
Energy: 1.288189586251563
Energy: 1.213333798715583
Energy: 1.8794605650663907
Energy: 1.2069644351661766
Energy: 1.2887218877275557
Energy: 1.2069644351651942
Energy: 1.4656840041894916
Energy: 1.1349819413248492
Energy: 1.3792528968709925
Energy: 1.1349819413253401
Energy: 1.7641218174359883
Energy: 1.1407842423802566
Energy: 1.1355823610380635
Energy: 1.140784242380748
Energy: 1.8264965711009629
Energy: 0.9753904419384377
Energy: 1.1861115517461516
Energy: 0.975390441935981
Energy: 1.8204388682683166
Energy: 0.9139081695079175
Energy: 0.9115042794165156
Energy: 0.9139081695064437
Energy: 1.9592380833293837
Energy: 0.9115531694698987
Energy: 0.8593075416261141
Energy: 0.9115531694698987
Energy: 1.8182638730895684
Energy: 0.826397472795104
Energy: 0.99444492180496
Energy: 0.826397472795104
Energy: 1.8245462523330276
Energy: 0.8248974077878738
Energy: 0.8227577488222354
Energy: 0.8248974077883651
Energy: 1.9784879073546366
Energy: 0.7424014551796251
Energy: 0.7436180754760529
Energy: 0.7424014551796251
Energy: 1.7084628542383846
Energy: 0.8246815019784814
Energy: 0.8227114535240075
Energy: 0.8246815019779902

minimum gb energy = 0.7424014551796251 eV
minimum distance =  2.48674285711465 Angstroms
sigma value = 113


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

Energy: 0.021443150014670197
Energy: 0.8018388361718863
Energy: 1.5490765179052648
Energy: 0.022494404907384902
Energy: 0.8893997166382657
Energy: 0.13589227872723544
Energy: 0.8849563871526307
Energy: 0.13589227872723544
Energy: 0.02365570605117883
Energy: 0.13342923330301806
Energy: 0.8829260750330745
Energy: 0.13342923330230463
Energy: 0.024459638713900868
Energy: 0.13354210157469595
Energy: 0.881979192833673
Energy: 0.13354210157431828
Energy: 0.8869247376330399
Energy: 0.13308438846373824
Energy: 1.3790340015349452
Energy: 0.13308438846411588
Energy: 0.022114351011880164
Energy: 0.13305891258548658
Energy: 0.8840281046556476
Energy: 0.13305891258548658

minimum gb energy = 0.021443150014670197 eV
minimum distance =  2.73564580861817 Angstroms
sigma value = 1