Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.878740459680557
cohesive_energy=3.900576668706534
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.1666153029872959e-19, 1.8396512546914799e-19, 2.40457873583988e-19, 2.89090343132424e-19, 3.31797963488328e-19, 3.69671816939454e-19, 4.0345210909070993e-19, 4.3367717129111996e-19, 4.60765171642158e-19, 4.850942238294479e-19, 5.07015204535836e-19, 5.2660341606311995e-19, 5.43950182479438e-19, 5.5925577586404e-19, 5.72680413880326e-19, 5.84350668482382e-19, 5.94369078974784e-19, 6.02828571602304e-19, 6.098108573732759e-19, 6.153880342362299e-19, 6.19627393609794e-19, 6.22586613852792e-19, 6.243249755006819e-19, 6.24892146029118e-19, 6.2428011455493e-19, 6.22295017705404e-19, 6.186773028658319e-19, 6.130953194729759e-19, 6.05148523368336e-19, 5.94380294211222e-19, 5.80237881062904e-19, 5.620499719137359e-19, 5.38983434914038e-19, 5.100176835479519e-19, 4.73882191744716e-19, 4.2899080463667e-19, 3.7337765149389597e-19, 3.04568971593498e-19, 2.1919538747417396e-19, 1.129290996121632e-19, -1.9763970304033798e-20, -1.8625463587913397e-19, -3.9650026467578396e-19, -6.64151882268654e-19, -1.0084388126190119e-18, -1.4565660149721779e-18, -2.0477419559154e-18, -2.8424696316784195e-18, -3.93334363647e-18, -5.46946252785018e-18, -7.70163103610532e-18, -1.10768884856541e-17, -1.64389731354936e-17, -2.5484702193394197e-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: -2.94648931732711e-25 eV

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

Energy: 0.013066673636562968
Energy: 0.013844297894052691
Energy: 0.47997898661551613
Energy: 0.1001550668283487
Energy: 0.013844297894052691
Energy: 0.5848158181302121
Energy: 0.1001550668283487
Energy: 0.5848158176807966
Energy: 0.47997898661551613
Energy: 0.1001550668283487
Energy: 0.013066673636562968
Energy: 0.013844297894052691
Energy: 0.1001550668283487
Energy: 0.5848158179928269
Energy: 0.013844297894052691
Energy: 0.5848158213714033

minimum gb energy = 0.013066673636562968 eV
minimum distance =  2.69285168826366 Angstroms
sigma value = 1


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

Energy: 1.0569076775976105
Energy: 0.7558658210501875
Energy: 0.7950566407548237
Energy: 0.7895579198067042
Energy: 0.7554490242231874
Energy: 0.8373776116700471
Energy: 0.7561489243811457
Energy: 0.8373776116700471
Energy: 0.7886557884164042
Energy: 0.7908302362331685
Energy: 0.900280744950736
Energy: 0.7908302362338293
Energy: 0.7582934639630046
Energy: 0.7556871428845436
Energy: 0.7566894017458766
Energy: 0.7556871428845436
Energy: 0.9863555111552745
Energy: 0.7575792908694676
Energy: 0.7579465707717462
Energy: 0.7575792908694676
Energy: 0.7914788095825533
Energy: 0.8285795450224602
Energy: 0.7575103671982892
Energy: 0.8285795450231209
Energy: 0.7895038607715615
Energy: 0.8060766257374745
Energy: 0.81494140732877
Energy: 0.8060766257374745
Energy: 0.7917684529408606
Energy: 0.7896359338786136
Energy: 0.8412766095311759
Energy: 0.7896359338786136
Energy: 0.8659815938483063
Energy: 0.8413275089604852
Energy: 0.8358086130650164
Energy: 0.8413275089604852
Energy: 0.8609608202397828
Energy: 0.8388973802982628
Energy: 0.8260912003114235
Energy: 0.8388973802982628
Energy: 0.8177373288507649
Energy: 0.8393606763950198
Energy: 0.8707440563147475
Energy: 0.8393606763950198
Energy: 0.7923391650469536
Energy: 0.838849175091203
Energy: 0.8426519293598869
Energy: 0.8388491750905422
Energy: 0.7877042325379964
Energy: 0.8044843333537078
Energy: 0.7570087052138691
Energy: 0.8044843333537078
Energy: 0.7913741042388188
Energy: 0.8041958789886777
Energy: 0.8102964422836496
Energy: 0.804195878988017
Energy: 0.8088889943870364
Energy: 0.7558449915037089
Energy: 0.7560278937431794
Energy: 0.7558449915037089
Energy: 0.7844165921016147
Energy: 0.7566912139113824
Energy: 0.7558115949135735
Energy: 0.7566912139113824
Energy: 0.7950559962670355
Energy: 0.7897746395211397
Energy: 0.7529497627920246
Energy: 0.7897746395211397
Energy: 0.7565539609117251
Energy: 0.7570503515349524
Energy: 0.7557022100898176
Energy: 0.7570503515349524
Energy: 0.7558017018453067
Energy: 0.7910360357690314
Energy: 0.7899633530890926
Energy: 0.7910360357696921
Energy: 0.8179830724018804
Energy: 0.7565442738494288
Energy: 0.7588813699408076
Energy: 0.7565442738494288
Energy: 0.7573239417407969
Energy: 0.756406633850277
Energy: 0.8372537885941028
Energy: 0.756406633850277
Energy: 0.7570512875442269
Energy: 0.7560688974103512
Energy: 0.7916303956827657
Energy: 0.7560688974103512
Energy: 0.8385106345020734
Energy: 0.8071797884715802
Energy: 0.7879029444968032
Energy: 0.8071797884715802
Energy: 0.8412315996731585
Energy: 0.8070164813918432
Energy: 0.7947914347093474
Energy: 0.8070164813918432
Energy: 0.836487078665625
Energy: 0.8409797261291352
Energy: 0.8675432922342653
Energy: 0.8409797261297959
Energy: 0.8230897412000787
Energy: 0.8385646156237296
Energy: 0.8622810294939793
Energy: 0.8385646156237296
Energy: 0.8247163761614256
Energy: 0.8387972644030296
Energy: 0.8173001370451913
Energy: 0.8387972644030296
Energy: 0.8410606782612489
Energy: 0.8390569382018417
Energy: 0.7939005417959609
Energy: 0.8390569382018417
Energy: 0.756356148628395
Energy: 0.8050016531275247
Energy: 0.7866928295512696
Energy: 0.8050016531275247
Energy: 0.8108063994412005
Energy: 0.8041483799664478
Energy: 0.7942988978618266
Energy: 0.8041483799664478
Energy: 0.7560562161372802
Energy: 0.7556846152270876
Energy: 0.7557214588293426
Energy: 0.7556846152264269
Energy: 0.7554734853040354
Energy: 0.7563258047642122
Energy: 0.7856265697068613
Energy: 0.7563258047642122
Energy: 0.7531805148787822
Energy: 0.7889492806907644
Energy: 0.7883128649971974
Energy: 0.7889492806907644

minimum gb energy = 0.7529497627920246 eV
minimum distance =  2.54119431191219 Angstroms
sigma value = 1


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

Energy: 1.2045782426071145
Energy: 0.7838256382858788
Energy: 0.8234412277665878
Energy: 0.8229299635221587
Energy: 0.7904906761293171
Energy: 0.870319732714313
Energy: 0.785570344118077
Energy: 0.870319732714313
Energy: 0.8213912879362655
Energy: 0.8262398095991728
Energy: 0.9334610963839701
Energy: 0.8262398095991728
Energy: 0.7908104603092772
Energy: 0.7870278774161004
Energy: 0.7858212805909363
Energy: 0.7870278774153469
Energy: 0.7850759429329335
Energy: 0.7855327941029683
Energy: 0.7867018335182276
Energy: 0.7855327941029683
Energy: 0.8338678236221204
Energy: 0.8261592340398194
Energy: 0.7864974144986375
Energy: 0.8261592340398194
Energy: 0.8286378935627923
Energy: 0.8451573609915618
Energy: 0.8533124515941848
Energy: 0.8451573609915618
Energy: 0.8364984832810228
Energy: 0.8413100825416384
Energy: 0.8820462799330907
Energy: 0.8413100825416384
Energy: 0.8330071456463289
Energy: 0.8804059381051191
Energy: 0.87222113802303
Energy: 0.8804059381051191
Energy: 0.8819746454248415
Energy: 0.887728533164849
Energy: 0.8354320450559194
Energy: 0.887728533164849
Energy: 0.793680614406288
Energy: 0.8459963598333681
Energy: 0.8342758544874079
Energy: 0.8459963598333681
Energy: 0.7930192342756122
Energy: 0.8454469361603183
Energy: 0.8355040016438184
Energy: 0.8454469361603183
Energy: 0.7870459813238637
Energy: 0.787368980354631
Energy: 0.7902718928114443
Energy: 0.787368980354631
Energy: 0.7867883676565218
Energy: 0.786306241174233
Energy: 0.8205109779858414
Energy: 0.786306241174233
Energy: 0.7790298619202766
Energy: 0.8233130905775241
Energy: 0.8229697023374508
Energy: 0.8233130905767708
Energy: 0.7912930535032638
Energy: 0.7902900677017003
Energy: 0.7856285845118041
Energy: 0.7902900677024537
Energy: 0.8226732408354593
Energy: 0.8273663934329515
Energy: 0.7843336325714858
Energy: 0.8273663934329515
Energy: 0.8274872694689196
Energy: 0.7863894404352848
Energy: 0.8606134126959389
Energy: 0.7863894404352848
Energy: 0.7862051137368794
Energy: 0.7857674119501998
Energy: 0.7872387256543949
Energy: 0.7857674119501998
Energy: 0.8342575154205555
Energy: 0.7867738047827815
Energy: 0.7876318767238221
Energy: 0.7867738047827815
Energy: 0.8293206296898339
Energy: 0.8477657058657287
Energy: 0.942924935063975
Energy: 0.8477657058657287
Energy: 0.8323783779973011
Energy: 0.8472247980413453
Energy: 0.8823236901595086
Energy: 0.8472247980413453
Energy: 0.8329514231604429
Energy: 0.8808252158047928
Energy: 0.8734902455077906
Energy: 0.8808252158047928
Energy: 0.8848146315726132
Energy: 0.8830844469851437
Energy: 0.8336904818454497
Energy: 0.8830844469851437
Energy: 0.7902603630262968
Energy: 0.8441224601806608
Energy: 0.8331840397176367
Energy: 0.8441224601806608
Energy: 0.7930899645558761
Energy: 0.8444096806979327
Energy: 0.8355588229959083
Energy: 0.8444096806979327
Energy: 0.7870064928405802
Energy: 0.7872234322378093
Energy: 0.7902050487373588
Energy: 0.7872234322378093
Energy: 0.7865745336628135
Energy: 0.7871723256289564
Energy: 0.780371548498357
Energy: 0.7871723256289564
Energy: 0.7782464926700249
Energy: 0.7890703661064811
Energy: 0.8235434421756439
Energy: 0.7890703661064811

minimum gb energy = 0.7782464926700249 eV
minimum distance =  2.50905008138178 Angstroms
sigma value = 25


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

Energy: 1.0146498848965122
Energy: 0.8331448589106478
Energy: 0.8652815737066532
Energy: 0.8646925722320509
Energy: 0.8282527761508555
Energy: 0.913842518898143
Energy: 0.8470322094090517
Energy: 0.913842518898143
Energy: 0.8701278811309426
Energy: 0.8692392126136546
Energy: 1.1058061734389877
Energy: 0.8692392126136546
Energy: 0.8379233156508596
Energy: 0.9430967498193371
Energy: 0.8331524851604312
Energy: 0.9430967498193371
Energy: 0.8142966468456894
Energy: 0.8337780792276196
Energy: 0.838004611564347
Energy: 0.8337780792267439
Energy: 0.8957688059416161
Energy: 0.8343671396182611
Energy: 0.8345648035538729
Energy: 0.8343671396182611
Energy: 0.8931988657239199
Energy: 0.9041842182710629
Energy: 0.921812825251172
Energy: 0.9041842182710629
Energy: 0.8758097854300144
Energy: 0.9047153949413197
Energy: 0.8942586820267961
Energy: 0.9047153949413197
Energy: 0.9177030091366821
Energy: 0.9199290608340805
Energy: 0.8292353486746683
Energy: 0.9199290608340805
Energy: 0.8722753488553135
Energy: 0.9177797269565141
Energy: 0.8419906528865497
Energy: 0.91777972695739
Energy: 0.8319071838088716
Energy: 0.8539397670776436
Energy: 0.8529704269739496
Energy: 0.8539397670776436
Energy: 0.8209684107633538
Energy: 0.83251448366375
Energy: 0.852825424091254
Energy: 0.83251448366375
Energy: 0.8128779580913532
Energy: 0.8138694897261406
Energy: 0.8040329663566232
Energy: 0.8138694897261406
Energy: 0.8134238873644912
Energy: 0.8053637410752404
Energy: 0.8325539875376039
Energy: 0.8053637410752404
Energy: 0.8140162652660708
Energy: 0.8895809161057433
Energy: 0.8888451747739704
Energy: 0.8895809161057433
Energy: 0.896688297753507
Energy: 0.8390073927991166
Energy: 0.8879816376950185
Energy: 0.8390073927991166
Energy: 0.8431484063721445
Energy: 0.8457521705845082
Energy: 0.8155088509981636
Energy: 0.8457521705845082
Energy: 0.8432685539146515
Energy: 0.8427627353566332
Energy: 0.840353458952724
Energy: 0.8427627353566332
Energy: 0.9234224008432036
Energy: 0.896081123536119
Energy: 0.8902445694254937
Energy: 0.896081123536119
Energy: 0.8614705736225202
Energy: 0.8953753571609144
Energy: 0.8711849764857087
Energy: 0.8953753571609144
Energy: 0.8298991031460348
Energy: 0.9067666227096642
Energy: 0.9050969568042491
Energy: 0.9067666227096642
Energy: 0.8295944451668578
Energy: 0.9153587012785822
Energy: 0.8708261858389902
Energy: 0.9153587012785822
Energy: 0.8304753271044529
Energy: 0.8318602706776181
Energy: 0.8213325785234858
Energy: 0.8318602706776181
Energy: 0.8315959580876153
Energy: 0.8321267469125216
Energy: 0.8317823207128322
Energy: 0.8321267469125216
Energy: 0.8280482689963384
Energy: 0.8487649201601545
Energy: 0.8644695916730212
Energy: 0.8487649201601545

minimum gb energy = 0.8040329663566232 eV
minimum distance =  2.49553760417168 Angstroms
sigma value = 9


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

Energy: 0.9937013817449614
Energy: 0.8345480272543702
Energy: 0.8945932621032447
Energy: 0.8941039550150109
Energy: 0.9276372237407221
Energy: 0.9315500619240905
Energy: 0.8596207037881811
Energy: 0.9315500619240905
Energy: 0.894325889192052
Energy: 0.8942897144173353
Energy: 0.8852260831911998
Energy: 0.8942897144173353
Energy: 0.8618598582952185
Energy: 0.9324562146198783
Energy: 0.8593081448533062
Energy: 0.9324562146198783
Energy: 0.8916726596644338
Energy: 0.8617835188506747
Energy: 0.8597927990450805
Energy: 0.8617835188506747
Energy: 0.8621373772270183
Energy: 0.863222343845638
Energy: 0.8627733416268639
Energy: 0.863222343845638
Energy: 0.8861416796764308
Energy: 0.9408517017642362
Energy: 0.8625353075507677
Energy: 0.9408517017642362
Energy: 0.8623629133712893
Energy: 0.9429747030267582
Energy: 0.8604849498334077
Energy: 0.9429747030267582
Energy: 0.8614510136744618
Energy: 0.86249349063649
Energy: 0.8287255037200972
Energy: 0.86249349063649
Energy: 0.8591174606169678
Energy: 0.8593742281139488
Energy: 0.8275161963675306
Energy: 0.8593742281129041
Energy: 0.8247543023547136
Energy: 0.8940331162875099
Energy: 0.8932509313475873
Energy: 0.8940331162875099
Energy: 0.8869164971072938
Energy: 0.8725281069311505
Energy: 0.8601989099326435
Energy: 0.8725281069311505
Energy: 0.8951302504034916
Energy: 0.8946862738179965
Energy: 0.885488269222159
Energy: 0.8946862738179965
Energy: 0.896292399098278
Energy: 0.9308384554438256
Energy: 0.8863397130162374
Energy: 0.9308384554438256
Energy: 0.8543181268922736
Energy: 0.8623543620756448
Energy: 0.8633806387382517
Energy: 0.8623543620756448
Energy: 0.862669024595142
Energy: 0.8612718885463413
Energy: 0.8618360646411958
Energy: 0.8612718885463413
Energy: 0.8833518688014547
Energy: 0.9411600449031593
Energy: 0.8609740555788818
Energy: 0.9411600449031593
Energy: 0.8818167022155694
Energy: 0.939064785125495
Energy: 0.861742731317093
Energy: 0.939064785125495
Energy: 0.8582317453437217
Energy: 0.8619690322112856
Energy: 0.8276000865739784
Energy: 0.8619690322112856
Energy: 0.8596903125347006
Energy: 0.8724517614058229
Energy: 0.8283690522592385
Energy: 0.8724517614068674
Energy: 0.8239316167288625
Energy: 0.8732707229755976
Energy: 0.8956993750665263
Energy: 0.8732707229755976

minimum gb energy = 0.8239316167288625 eV
minimum distance =  2.49286888819605 Angstroms
sigma value = 25


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

Energy: 0.9369753634511837
Energy: 0.8511943766751855
Energy: 0.9225403005302443
Energy: 0.921986178475585
Energy: 0.9287275715258956
Energy: 0.9152967022166008
Energy: 0.8711201379978923
Energy: 0.9152967022166008
Energy: 0.9220997730924615
Energy: 0.9216177772994864
Energy: 0.9142444348646637
Energy: 0.9216177772994864
Energy: 0.9236160278900434
Energy: 0.9155221136079315
Energy: 0.8723164820164836
Energy: 0.9155221136079315
Energy: 0.864872594147583
Energy: 0.9185672248723507
Energy: 0.8724756721979322
Energy: 0.9185672248710586
Energy: 0.8468369540749523
Energy: 0.8708002498579192
Energy: 0.8694103739605207
Energy: 0.8708002498282321
Energy: 0.8426285384736147
Energy: 0.9197251811321573
Energy: 0.8727539825289544
Energy: 0.9197251811308652
Energy: 0.8415684526563911
Energy: 0.9163863295067098
Energy: 0.8729395239278673
Energy: 0.9163863295067098
Energy: 0.9193752631043809
Energy: 0.9214747565252475
Energy: 0.9868879918552537
Energy: 0.9214747565265394
Energy: 0.9228914195914104
Energy: 0.9166564222484488
Energy: 0.9259926265142282
Energy: 0.9166564222484488
Energy: 0.9134751397708861
Energy: 0.9225842949605477
Energy: 0.9228131193555139
Energy: 0.9225842949605477
Energy: 0.9129932260813998
Energy: 0.9176602835117702
Energy: 0.9236508048206343
Energy: 0.9176602835117702
Energy: 0.87072590348866
Energy: 0.8751876189268408
Energy: 0.9036210297073409
Energy: 0.8751876189255487
Energy: 0.87226544367109
Energy: 0.8718333784142337
Energy: 0.8489831810907097
Energy: 0.8718333784155257
Energy: 0.8727935983524173
Energy: 0.8704363376554648
Energy: 0.8411283466708922
Energy: 0.8704363377988199
Energy: 0.8706033269481361
Energy: 0.9491047533733519
Energy: 0.8413723406220129
Energy: 0.9491047533733519
Energy: 0.840710783813073
Energy: 0.8477124076836828
Energy: 0.9225799278397686
Energy: 0.8477124076836828

minimum gb energy = 0.840710783813073 eV
minimum distance =  2.56606270237534 Angstroms
sigma value = 17


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

Energy: 1.3535817312371703
Energy: 0.9417362614588299
Energy: 0.9829385073363033
Energy: 0.9863879018333933
Energy: 0.9126491089074402
Energy: 0.9309958862438009
Energy: 0.9913378913788019
Energy: 0.9309958862438009
Energy: 0.9029221632890507
Energy: 0.905140403578652
Energy: 0.9809533002762301
Energy: 0.905140403578652
Energy: 0.9053360468210999
Energy: 0.9608823878484696
Energy: 0.9231108922729333
Energy: 0.9608823878477379
Energy: 0.9047965186965296
Energy: 0.9780149409781692
Energy: 0.9058692545912187
Energy: 0.9780149409774376
Energy: 0.9254149602231991
Energy: 0.9674717696193385
Energy: 0.9035450934481281
Energy: 0.9674717696193385
Energy: 0.9331420154689358
Energy: 0.9028793885765357
Energy: 0.9001480819374701
Energy: 0.9028793885772673
Energy: 0.9884316432875719
Energy: 0.9251489380762411
Energy: 0.901710483622368
Energy: 0.9251489380755092
Energy: 0.9861207750111576
Energy: 0.9865493537304043
Energy: 0.9761552300677687
Energy: 0.9865493537304043
Energy: 0.9883412773071479
Energy: 0.9663873548963131
Energy: 0.9720232349578352
Energy: 0.9663873548963131
Energy: 0.9000645117523812
Energy: 0.8996189470217929
Energy: 0.8787502284000122
Energy: 0.8996189470210612
Energy: 0.9848273203639073
Energy: 0.894749516351025
Energy: 0.8855633264914106
Energy: 0.8947495163502933
Energy: 0.9387896829404603
Energy: 0.8979178950952285
Energy: 0.8944122933200477
Energy: 0.8979178950952285
Energy: 0.938026676798098
Energy: 0.9245356598680076
Energy: 0.8787423598979415
Energy: 0.9245356598680076
Energy: 0.9874165060465481
Energy: 0.9931025010536143
Energy: 0.9870640239664275
Energy: 0.9931025010536143
Energy: 0.9868956080040598
Energy: 1.0004532090757012
Energy: 1.0208169356591632
Energy: 1.0004532090757012
Energy: 0.9750120551043857
Energy: 0.9035223441611447
Energy: 0.9050234722228525
Energy: 0.9035223441611447
Energy: 0.9733020070268367
Energy: 0.9252336032537363
Energy: 0.9002205795297021
Energy: 0.9252336032537363
Energy: 0.9250695503914711
Energy: 0.9898376200372293
Energy: 0.9055109290828224
Energy: 0.9898376200372293
Energy: 0.9301269701323652
Energy: 0.9790556967542493
Energy: 0.9048547086176025
Energy: 0.9790556967542493
Energy: 0.9049011543544512
Energy: 0.9266510995927685
Energy: 0.9891511235926663
Energy: 0.9266510995927685
Energy: 0.9029614663491204
Energy: 0.9031380354160334
Energy: 0.936621645119188
Energy: 0.9031380354160334
Energy: 0.930094939660065
Energy: 0.9643708660815784
Energy: 0.988038364457731
Energy: 0.9643708660815784
Energy: 0.9762375551028737
Energy: 0.9864554101669172
Energy: 0.9918064838987257
Energy: 0.9864554101669172
Energy: 0.884141377208655
Energy: 0.9250564864742421
Energy: 0.9786241116979354
Energy: 0.9250564864742421
Energy: 0.8857466626654587
Energy: 0.8999819903943684
Energy: 0.9426639560871427
Energy: 0.8999819903951002
Energy: 0.8784694086976278
Energy: 0.8816049923013977
Energy: 0.9836349122215622
Energy: 0.8816049923013977
Energy: 0.8968766892185702
Energy: 0.9008240058724549
Energy: 0.9390241150751661
Energy: 0.9008240058717232
Energy: 0.8808482860117899
Energy: 0.9264435182206007
Energy: 0.9379757812435383
Energy: 0.9264435182213323
Energy: 1.0231177225635648
Energy: 0.986136122673041
Energy: 0.9823158319242811
Energy: 0.9861361226723092

minimum gb energy = 0.8784694086976278 eV
minimum distance =  2.51736169204989 Angstroms
sigma value = 53


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

Energy: 1.2302914662869058
Energy: 0.83527692926766
Energy: 0.9117470592517966
Energy: 0.9189216767048034
Energy: 1.0892953652835913
Energy: 0.8668847041893999
Energy: 0.9183144030886902
Energy: 0.8668847041893999
Energy: 0.9117841716910166
Energy: 0.9165906667122345
Energy: 0.9461403996722052
Energy: 0.916590666713919
Energy: 0.9274988031118441
Energy: 0.8665418655765688
Energy: 0.9928265148498022
Energy: 0.8665418655765688
Energy: 0.9267741769271044
Energy: 0.8808047250009647
Energy: 0.8026674218287954
Energy: 0.8808047250009647
Energy: 0.9898479863814033
Energy: 0.8686818525201547
Energy: 0.8021608268667366
Energy: 0.8686818525201547
Energy: 1.007909561524735
Energy: 0.9235053110200273
Energy: 0.9150674508058104
Energy: 0.9235053110200273
Energy: 1.007437733146813
Energy: 0.8676688271792645
Energy: 0.9199712183058489
Energy: 0.8676688271792645
Energy: 0.9119390107361329
Energy: 0.9186153360808209
Energy: 0.9111627120241034
Energy: 0.9186153360791363
Energy: 0.9261029726045451
Energy: 0.8680018181970611
Energy: 0.9191831265896239
Energy: 0.8680018181987457
Energy: 0.9246656059422369
Energy: 0.86991581651169
Energy: 0.8025200280039917
Energy: 0.86991581651169
Energy: 0.9272862818124146
Energy: 0.8671753502718941
Energy: 0.8038113061429576
Energy: 0.8671753502718941
Energy: 1.0082501613037356
Energy: 0.8684096702449428
Energy: 0.9228522296643182
Energy: 0.8684096702449428

minimum gb energy = 0.8021608268667366 eV
minimum distance =  2.54831779028726 Angstroms
sigma value = 9


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

Energy: 1.2068994529758206
Energy: 0.9703141762414267
Energy: 1.016008967130949
Energy: 1.0179697476486944
Energy: 0.9401354255021737
Energy: 0.8896859009002507
Energy: 1.0207278088817413
Energy: 0.8896859009014977
Energy: 0.8849778593230639
Energy: 0.8935577338786056
Energy: 1.0451504744625078
Energy: 0.8935577338792292
Energy: 0.8857018768743246
Energy: 0.8884450580510376
Energy: 1.1203229893635143
Energy: 0.8884450580510376
Energy: 0.891040526041955
Energy: 0.8932543475906592
Energy: 1.0662679937737374
Energy: 0.8932543475900356
Energy: 0.8970042872178541
Energy: 0.8906334540038937
Energy: 1.068036212460998
Energy: 0.8906334540045172
Energy: 1.011764323912247
Energy: 1.0182490424039743
Energy: 1.022288842609764
Energy: 1.0182490424039743
Energy: 1.0459979661389136
Energy: 0.8892109247922971
Energy: 1.020934350310865
Energy: 0.8892109247916736
Energy: 0.934606978288638
Energy: 0.9727724590613867
Energy: 0.9635663835978042
Energy: 0.972772459060763
Energy: 0.89210264901262
Energy: 0.8912346015632132
Energy: 1.0624033674434132
Energy: 0.8912346015632132
Energy: 0.9356460637660304
Energy: 0.9341299378656911
Energy: 1.0069822520222758
Energy: 0.9341299378656911
Energy: 0.9270040820108866
Energy: 0.9316206535271372
Energy: 1.0610286882800073
Energy: 0.9316206535271372
Energy: 1.0580577505274287
Energy: 0.933793920918897
Energy: 0.9266116316687926
Energy: 0.9337939209182736
Energy: 1.0141206638762243
Energy: 0.9302700347810571
Energy: 0.9248452492438503
Energy: 0.9302700347810571
Energy: 1.0509619882814472
Energy: 0.9370305548468205
Energy: 0.9449697312878327
Energy: 0.937030554847444
Energy: 1.0232470291287037
Energy: 0.9789108602354295
Energy: 0.9431414261032799
Energy: 0.9789108602354295
Energy: 1.022096769879687
Energy: 0.8907119250051608
Energy: 0.9339428840037988
Energy: 0.8907119250051608
Energy: 1.0199577209672466
Energy: 1.0173167135973546
Energy: 1.2031304077029719
Energy: 1.0173167135898729
Energy: 1.020287080524327
Energy: 0.8891363920997325
Energy: 0.9385097840919683
Energy: 0.889136392105344
Energy: 1.12248218641477
Energy: 0.8874914306856465
Energy: 0.8866972047329095
Energy: 0.8874914306856465
Energy: 1.0608748042495506
Energy: 0.8886458136165558
Energy: 0.8863266322411458
Energy: 0.8886458136165558
Energy: 1.0663502469057276
Energy: 0.890692009815308
Energy: 0.8908274537938712
Energy: 0.890692009815308
Energy: 1.0674412603246448
Energy: 0.8910877765222109
Energy: 0.8953668356984745
Energy: 0.8910877765228344
Energy: 1.0214186417645965
Energy: 1.0181115146685582
Energy: 1.015092696275841
Energy: 1.0181115146685582
Energy: 1.0186751914515242
Energy: 0.8889329399967116
Energy: 1.045366809418138
Energy: 0.8889329399967116
Energy: 0.9641728873682426
Energy: 0.8976346516568996
Energy: 0.9336045621308352
Energy: 0.8976346516562761
Energy: 1.0231703572250619
Energy: 0.9794847710285323
Energy: 0.8936614751040307
Energy: 0.9794847710285323
Energy: 1.006638624998779
Energy: 0.9336231438775988
Energy: 0.9369134222203971
Energy: 0.9336231438775988
Energy: 1.0938939533728118
Energy: 0.9276393362058938
Energy: 0.9265226619184666
Energy: 0.9276393362071409
Energy: 0.926331762650705
Energy: 0.9333672896830343
Energy: 1.0558311224684753
Energy: 0.9333672896824107
Energy: 0.9256250981551457
Energy: 0.9297681182484946
Energy: 1.0728648825237521
Energy: 0.9297681182484946
Energy: 0.9439114279616265
Energy: 0.936089478744921
Energy: 1.0729848170965828
Energy: 0.936089478744921
Energy: 0.9449455025978483
Energy: 0.9787819453632624
Energy: 1.01824304783892
Energy: 0.9787819453632624
Energy: 0.9339325620922028
Energy: 0.891255494076288
Energy: 0.9950270192016822
Energy: 0.8912554940769115
Energy: 1.0585296485439923
Energy: 1.0174817358859676
Energy: 1.0148878443473814
Energy: 1.0174817358859676

minimum gb energy = 0.8849778593230639 eV
minimum distance =  2.51254527085365 Angstroms
sigma value = 73


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

Energy: 1.220156804050613
Energy: 0.9408121330081434
Energy: 0.992090541533095
Energy: 0.9926587232671928
Energy: 0.9538163474342741
Energy: 0.9086043903371591
Energy: 0.9950322564096807
Energy: 0.9086043903371591
Energy: 0.913971640209716
Energy: 0.9129603059441795
Energy: 1.0864176355101551
Energy: 0.9129603059461581
Energy: 0.9039879765630372
Energy: 0.9101840637391543
Energy: 1.1379254876942675
Energy: 0.9101840637391543
Energy: 0.9074863867448262
Energy: 0.9153212226264575
Energy: 1.0261983623305049
Energy: 0.9153212226264575
Energy: 0.9093070150203714
Energy: 0.9118953826726436
Energy: 1.0263498734690732
Energy: 0.9118953826726436
Energy: 0.9352495188094465
Energy: 1.054055036142686
Energy: 1.0214639488283266
Energy: 1.054055036142686
Energy: 0.9351306417526136
Energy: 0.9318604455052676
Energy: 1.026062340023111
Energy: 0.9318604455052676
Energy: 0.9334850788241953
Energy: 0.8902694991250307
Energy: 1.0265800660326019
Energy: 0.8902694991250307
Energy: 0.940003111444374
Energy: 0.9991693755741999
Energy: 1.0493086586694547
Energy: 0.9991693755741999
Energy: 0.9332118685776367
Energy: 0.8883228458447637
Energy: 0.8870609097656457
Energy: 0.8883228458447637
Energy: 0.9268256734130222
Energy: 0.8866733050345834
Energy: 1.0503526530843879
Energy: 0.8866733050345834
Energy: 1.0558190567139873
Energy: 0.9443736997452393
Energy: 0.948769422870738
Energy: 0.9443736997452393
Energy: 1.0134518961962202
Energy: 0.9632629314883717
Energy: 0.9458928132684982
Energy: 0.9632629314883717
Energy: 1.044655001383427
Energy: 0.9597153438278936
Energy: 0.9374228596096185
Energy: 0.9597153438278936
Energy: 1.0265697570346926
Energy: 0.941501766806469
Energy: 0.9306249536340792
Energy: 0.941501766806469
Energy: 1.0583824642720747
Energy: 0.9661484732020026
Energy: 0.9341604987782274
Energy: 0.9661484732029918
Energy: 0.9989856016922453
Energy: 0.9937458028290564
Energy: 0.9348297823704581
Energy: 0.9937458028290564
Energy: 1.0034649403360911
Energy: 0.9692385072683173
Energy: 0.969283447878336
Energy: 0.9692385072683173
Energy: 1.0205745721860318
Energy: 0.9692101173980215
Energy: 1.0173720517406675
Energy: 0.9692101173980215
Energy: 1.0302373181297646
Energy: 0.9837219655492937
Energy: 0.9434651813465066
Energy: 0.9837219655492937
Energy: 1.073842497756161
Energy: 0.995207211379044
Energy: 0.9904110300807187
Energy: 0.995207211379044

minimum gb energy = 0.8866733050345834 eV
minimum distance =  2.50523811159037 Angstroms
sigma value = 7


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

Energy: 1.3189108393529239
Energy: 0.9357431241798592
Energy: 1.0013742165292074
Energy: 1.0003414302945657
Energy: 0.9960143455435412
Energy: 0.9134198057032618
Energy: 1.0040322598866294
Energy: 0.9134198057032618
Energy: 0.905972225468427
Energy: 0.9106666515847058
Energy: 1.0110817793096671
Energy: 0.9106666515861048
Energy: 0.9011826429131785
Energy: 0.9126079087159132
Energy: 1.005377810882826
Energy: 0.9126079087159132
Energy: 0.9088436504225136
Energy: 0.9082973492739088
Energy: 1.082298498686067
Energy: 0.9082973492739088
Energy: 0.9135210362463999
Energy: 0.9443089533897131
Energy: 1.0807251561697406
Energy: 0.9443089533904125
Energy: 1.0015024884910657
Energy: 0.9116143757757239
Energy: 0.9133151729530197
Energy: 0.9116143757757239
Energy: 0.9997906711723515
Energy: 0.9434606788432299
Energy: 0.9104112233357593
Energy: 0.9434606788432299
Energy: 1.0071153465347737
Energy: 0.9095357544934483
Energy: 0.9035753368064287
Energy: 0.9095357545305209
Energy: 1.103305386097077
Energy: 0.941850967266963
Energy: 0.9104188437402432
Energy: 0.941850967266963
Energy: 1.007450129232065
Energy: 0.9087359630124673
Energy: 0.9076570696398932
Energy: 0.9087359630159646
Energy: 0.9968363103759271
Energy: 0.9944871672330546
Energy: 0.9983539731717433
Energy: 0.9944871672330546
Energy: 0.9961028017470058
Energy: 0.9594864011875155
Energy: 1.0139496892892816
Energy: 0.9594864011868159
Energy: 0.9973152383258506
Energy: 0.967393670375967
Energy: 0.9135229164507406
Energy: 0.967393670375967
Energy: 1.0131820824151239
Energy: 0.9616341993832443
Energy: 0.9128474169183431
Energy: 0.9616341993839439
Energy: 0.919710904610481
Energy: 0.9975353831412863
Energy: 0.9964148509330565
Energy: 0.9975353831419856
Energy: 0.9194842166765163
Energy: 0.9091523808458863
Energy: 1.0049786428013405
Energy: 0.9091523808444875
Energy: 0.9113363452191812
Energy: 0.9427684976672429
Energy: 1.0104865725170236
Energy: 0.9427684976672429
Energy: 0.9035808833502843
Energy: 0.9080462333390096
Energy: 1.0060732441642084
Energy: 0.9080462333383101
Energy: 0.9101813149089163
Energy: 0.94441918033817
Energy: 0.9231788794601608
Energy: 0.94441918033817
Energy: 0.9132643395654101
Energy: 0.9784061423230004
Energy: 1.0871315306175455
Energy: 0.9784061423230004
Energy: 1.001255555496964
Energy: 0.9029901939180482
Energy: 0.9123585888153714
Energy: 0.9029901939180482
Energy: 0.9998647328284097
Energy: 0.9079098254992103
Energy: 0.9092040191181034
Energy: 0.9079098254999097
Energy: 1.0355230363689067
Energy: 0.9108176642667343
Energy: 0.90136315360267
Energy: 0.9108176642667343
Energy: 1.0995098097578029
Energy: 0.9105214488474095
Energy: 0.9061369318173723
Energy: 0.9105214488481088
Energy: 1.0714394559589813
Energy: 0.9111083667236133
Energy: 0.9200682043991772
Energy: 0.9111083667865351
Energy: 1.0008486431141126
Energy: 1.0024669283031826
Energy: 1.2090120070857464
Energy: 1.0024669283031826
Energy: 0.996747264192096
Energy: 0.9081434066201719
Energy: 1.013622771895799
Energy: 0.9081434066201719
Energy: 1.0058453512098702
Energy: 0.9631239697166515
Energy: 0.994930624648822
Energy: 0.9631239697166515
Energy: 1.0110470909080482
Energy: 1.006043524837109
Energy: 0.913788821628977
Energy: 1.0060435248364095
Energy: 0.9191666215031778
Energy: 0.9966572075766564
Energy: 0.9942650620966863
Energy: 0.9966572075766564

minimum gb energy = 0.9011826429131785 eV
minimum distance =  2.50768887859679 Angstroms
sigma value = 29


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

Energy: 0.8429207877499995
Energy: 0.8685818227838001
Energy: 0.9225646528972298
Energy: 0.8615996316766525
Energy: 0.8471052718775629
Energy: 0.8858959836276505
Energy: 0.8966226854681759
Energy: 0.8858959836278943
Energy: 0.8615269427832235
Energy: 0.8631598319049624
Energy: 0.8492403629107717
Energy: 0.8631598319049624
Energy: 0.8590994293983852
Energy: 0.8638009641175693
Energy: 0.8673467234805121
Energy: 0.8638009641113698
Energy: 0.8544866901952555
Energy: 0.8637225527204768
Energy: 0.845798592209084
Energy: 0.8637225527209642
Energy: 0.8686977419043346
Energy: 0.8667420752177164
Energy: 0.8469688524323444
Energy: 0.8667420752179601
Energy: 0.8428689130933262
Energy: 0.8594041094692517
Energy: 0.8685548150069107
Energy: 0.8594041095326009
Energy: 0.8971004241233971
Energy: 0.8668836782917515
Energy: 0.8567066212063431
Energy: 0.8668836782910206
Energy: 0.8471620697345442
Energy: 0.8638022201759746
Energy: 0.8609351195701723
Energy: 0.8638022201759746

minimum gb energy = 0.8428689130933262 eV
minimum distance =  2.52219432943387 Angstroms
sigma value = 5


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

Energy: 1.107093587035506
Energy: 0.8948362352402275
Energy: 0.8815047333569284
Energy: 0.8742233324363313
Energy: 0.8553925086684561
Energy: 0.8736851429357518
Energy: 0.9870617382574869
Energy: 0.8736851429357518
Energy: 0.9870853756193585
Energy: 0.9431242678016261
Energy: 0.999421895094872
Energy: 0.9431242678016261
Energy: 0.8950787803885623
Energy: 0.944630608142562
Energy: 0.9475488591629241
Energy: 0.9446306081432229
Energy: 0.9297098129007833
Energy: 0.9024418209010968
Energy: 0.9839038014939081
Energy: 0.9024418209010968
Energy: 0.8927488568208507
Energy: 0.8775088016975808
Energy: 0.9831049929196889
Energy: 0.8775088016989024
Energy: 0.8706822080147419
Energy: 0.8722278404241651
Energy: 0.9261160603282383
Energy: 0.8722278404248259
Energy: 0.8781003585520786
Energy: 0.8735944259040817
Energy: 1.1027346440702182
Energy: 0.8735944259040817
Energy: 0.8808025141021777
Energy: 0.9020522856706008
Energy: 1.071866547945154
Energy: 0.9020522856706008
Energy: 0.999248788552466
Energy: 0.856369193144891
Energy: 0.8531646863934979
Energy: 0.856369193144891
Energy: 0.8800416561747841
Energy: 0.8476614650130073
Energy: 0.8466472254779779
Energy: 0.8476614650130073
Energy: 0.8447775969755843
Energy: 0.8492867249395262
Energy: 0.8459252434387097
Energy: 0.8492867249395262
Energy: 0.843646691364237
Energy: 0.8527257539530164
Energy: 0.8516760030095332
Energy: 0.8527257539536771
Energy: 0.8727759891830211
Energy: 0.9024595631789634
Energy: 0.9899215352660332
Energy: 0.9024595631789634
Energy: 0.8709263466367855
Energy: 0.8742660465173459
Energy: 0.9897884950402954
Energy: 0.8742660465166852
Energy: 0.8734811199661993
Energy: 0.8729111026395495
Energy: 0.9585358490301569
Energy: 0.8729111026395495
Energy: 0.8746444107588881
Energy: 0.8924778843129625
Energy: 0.8966077096967696
Energy: 0.8924778843281297
Energy: 0.9878741946746515
Energy: 0.8737030903350271
Energy: 0.8512813212748239
Energy: 0.8737030903343664
Energy: 1.0003896534347643
Energy: 0.9448288299374714
Energy: 0.9878880375578484
Energy: 0.9448288299374714
Energy: 0.9246981931616185
Energy: 0.9494834600981937
Energy: 0.8933097739487132
Energy: 0.9494834600981937
Energy: 0.9830092753049601
Energy: 0.8757120822845463
Energy: 0.9359623257260596
Energy: 0.8757120822845463
Energy: 0.983909776486409
Energy: 0.8922230599593259
Energy: 0.8940886391412198
Energy: 0.8922230599599867
Energy: 0.9347571750220379
Energy: 0.8722686852374157
Energy: 0.8709880314398217
Energy: 0.8722686852374157
Energy: 1.0829487006938432
Energy: 0.8729699489585308
Energy: 0.8754017485314588
Energy: 0.8729699489578701
Energy: 1.0769495422390467
Energy: 0.8998955989004986
Energy: 0.8747117973935723
Energy: 0.8998955989004986
Energy: 0.854694597669778
Energy: 0.8536498030595204
Energy: 0.9993845916804629
Energy: 0.8536498030595204
Energy: 0.8501937228200553
Energy: 0.8473100848698747
Energy: 0.8815450861721945
Energy: 0.847310084869214
Energy: 0.8614862067712412
Energy: 0.8484098190641609
Energy: 0.9064595398953923
Energy: 0.8484098190648216
Energy: 0.8512926302535503
Energy: 0.856952044025739
Energy: 1.1015903323123353
Energy: 0.856952044025739
Energy: 0.9893077666548326
Energy: 0.9012027494032123
Energy: 0.8774602537143994
Energy: 0.9012027494032123
Energy: 0.9909228706772647
Energy: 0.8751700770913894
Energy: 0.8728300734435814
Energy: 0.8751700770913894
Energy: 0.9864806009593404
Energy: 0.8722950067132895
Energy: 0.8708319917215553
Energy: 0.8722950067132895
Energy: 0.8958819674418311
Energy: 0.898915601164218
Energy: 0.8734147485319828
Energy: 0.898915601164218

minimum gb energy = 0.843646691364237 eV
minimum distance =  2.51075167847868 Angstroms
sigma value = 1


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

Energy: 1.1564659487995763
Energy: 0.8226655119307201
Energy: 0.844986471448381
Energy: 0.8468755490920521
Energy: 0.8614634688895283
Energy: 0.8390246304575354
Energy: 0.8596913006828621
Energy: 0.8390246304584489
Energy: 0.8815090530801902
Energy: 0.9289896249960174
Energy: 0.8602146995008566
Energy: 0.9289896249960174
Energy: 0.8604953729702791
Energy: 0.930084261570665
Energy: 0.8816980116228422
Energy: 0.930084261570665
Energy: 0.879003863247723
Energy: 0.8457374439781268
Energy: 0.872978734042875
Energy: 0.8457374439781268
Energy: 0.8576041779454031
Energy: 0.8470862844634995
Energy: 0.8726331472231117
Energy: 0.8470862844634995
Energy: 0.8343953405877328
Energy: 0.8364404916853725
Energy: 0.8790982488427885
Energy: 0.8364404916853725
Energy: 0.8399685357315991
Energy: 0.8402544915171097
Energy: 0.8068209473254465
Energy: 0.8402544915171097
Energy: 0.8788322023206978
Energy: 0.8831347772904115
Energy: 0.8062306138256738
Energy: 0.8831347772904115
Energy: 1.0068266204591472
Energy: 0.8400854500273466
Energy: 0.8389227425097298
Energy: 0.8400854500273466
Energy: 0.8791271665852084
Energy: 0.8371209636639951
Energy: 0.8353813185833658
Energy: 0.8371209636639951
Energy: 0.8043053123506846
Energy: 0.8428047373144386
Energy: 0.8547021510714305
Energy: 0.8428047373144386
Energy: 0.8071632707306069
Energy: 0.8380467865921385
Energy: 0.8764200904330628
Energy: 0.8380467865912248
Energy: 0.8774788034177867
Energy: 0.9291137318708363
Energy: 0.8601169679997067
Energy: 0.9291137318708363
Energy: 0.862231333062435
Energy: 0.9280005960815735
Energy: 0.8594339162664447
Energy: 0.9280005960815735
Energy: 0.8672507584717885
Energy: 0.8387637363044873
Energy: 0.8387640953966629
Energy: 0.8387637363044873
Energy: 0.8786546279660983
Energy: 0.8456367347201494
Energy: 0.8727369148743452
Energy: 0.8456367347137543
Energy: 0.8433395450907198
Energy: 0.8400621390383249
Energy: 0.8741220613692372
Energy: 0.8400621390383249
Energy: 0.8360258409561865
Energy: 0.8386289005912927
Energy: 0.8065057617820538
Energy: 0.8386289005922063
Energy: 0.8388193941105917
Energy: 0.8576900568183757
Energy: 0.8158117438868109
Energy: 0.8576900568183757
Energy: 0.8740987786406701
Energy: 0.8847931402686174
Energy: 0.8797436767424314
Energy: 0.8847931402686174
Energy: 0.8730219800143597
Energy: 0.8430595559196968
Energy: 0.8388631622140411
Energy: 0.8430595559196968
Energy: 0.837677517843441
Energy: 0.8370394287033602
Energy: 0.8357912688137782
Energy: 0.8370394287033602
Energy: 0.8059017756313188
Energy: 0.8371079183788391
Energy: 0.8583679380494138
Energy: 0.8371079183788391

minimum gb energy = 0.8043053123506846 eV
minimum distance =  2.4880700532075 Angstroms
sigma value = 17


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

Energy: 1.2166550658309523
Energy: 0.8514158109043627
Energy: 0.9680633629463533
Energy: 0.8484140413653338
Energy: 0.8684278423301793
Energy: 0.835886799820131
Energy: 0.9433925831567874
Energy: 0.835886799820131
Energy: 1.0221313234329985
Energy: 0.9526342165196391
Energy: 0.9392256268658189
Energy: 0.9526342165202037
Energy: 1.0253473535567366
Energy: 0.9608181293375352
Energy: 0.9681911893185088
Energy: 0.9608181293375352
Energy: 0.9364685012897119
Energy: 0.8189855927915997
Energy: 0.9467429046937419
Energy: 0.8189855927915997
Energy: 0.8283263086993793
Energy: 0.8214790602476364
Energy: 0.9441287024180671
Energy: 0.821479060248201
Energy: 0.8164838171388388
Energy: 0.815743795118713
Energy: 0.8842017576271209
Energy: 0.815743795118713
Energy: 0.82021396631002
Energy: 0.8173134184226735
Energy: 0.813315663105081
Energy: 0.8173134184226735
Energy: 0.9435688151262802
Energy: 0.8176772975395311
Energy: 1.0220238737931364
Energy: 0.8176772975395311
Energy: 0.9366971270113834
Energy: 0.835711449296248
Energy: 0.9447574144165163
Energy: 0.8357114492968126
Energy: 0.939885195120693
Energy: 0.953900700244447
Energy: 0.8472564754256845
Energy: 0.953900700244447
Energy: 0.9357058998998464
Energy: 0.8361806851699067
Energy: 0.9566540957959201
Energy: 0.836180685169342
Energy: 0.8348856879566252
Energy: 0.8530136555367209
Energy: 0.8670636668406397
Energy: 0.8530136555367209
Energy: 0.8350197253841866
Energy: 0.8330384348884952
Energy: 0.8342381218392141
Energy: 0.8330384348884952
Energy: 1.0225021566944692
Energy: 0.8350230837378325
Energy: 0.8408697493460106
Energy: 0.8350230837378325
Energy: 0.8140149832971231
Energy: 0.8349722535087379
Energy: 0.8349115220773373
Energy: 0.8349722535087379
Energy: 0.8621690672529182
Energy: 0.8390820204823976
Energy: 1.1186560729385666
Energy: 0.8390820204823976
Energy: 0.8362435779188939
Energy: 0.8342995785820905
Energy: 0.9429773490666054
Energy: 0.8342995785820905
Energy: 0.8430767013112059
Energy: 0.8348041126086342
Energy: 0.960584969901372
Energy: 0.8348041126024227
Energy: 0.8735744602843042
Energy: 0.9536174186632854
Energy: 0.8167270748527645
Energy: 0.9536174186593326
Energy: 0.9425073205768063
Energy: 0.8350942562451797
Energy: 0.8532239182625649
Energy: 0.8350942562451797
Energy: 0.9402074572956889
Energy: 0.9529395050120836
Energy: 1.0240752224435714
Energy: 0.9529395050120836
Energy: 0.8858114197918985
Energy: 0.8785180898213525
Energy: 1.025067911128114
Energy: 0.8785180898213525
Energy: 0.9304542270921878
Energy: 0.8261448277393337
Energy: 0.9357338138388106
Energy: 0.8261448277398984
Energy: 0.9418847877307133
Energy: 0.8172943123989316
Energy: 0.8245383516763757
Energy: 0.8172943123989316
Energy: 0.9571403488386947
Energy: 0.8166310745618109
Energy: 0.8189268238783798
Energy: 0.8166310745612463
Energy: 0.8129068101500361
Energy: 0.8218855381746524
Energy: 0.825115028138841
Energy: 0.8218855381746524
Energy: 0.9603752952980904
Energy: 0.8164334181606574
Energy: 0.9467942235639211
Energy: 0.8164334181606574
Energy: 0.9415235761821907
Energy: 0.9505265240155587
Energy: 0.9367506768646127
Energy: 0.9505265240155587
Energy: 0.8482004987043175
Energy: 0.8361585702686903
Energy: 0.9364819412076453
Energy: 0.8361585704283905
Energy: 0.9570491720173623
Energy: 0.8376561490997476
Energy: 0.9361859906094879
Energy: 0.8376561491008769
Energy: 0.8540341063048849
Energy: 0.860407796965753
Energy: 0.9537837989940577
Energy: 0.860407796965753
Energy: 0.8330021515388178
Energy: 0.8328985751302841
Energy: 0.8358562370069776
Energy: 0.8328985751302841
Energy: 0.8401505330898716
Energy: 0.8361765154652152
Energy: 1.0232628230466774
Energy: 0.8361765154652152
Energy: 0.8346606866265007
Energy: 0.8623673915947293
Energy: 0.8140343809278683
Energy: 0.8623673915947293
Energy: 1.122751602015496
Energy: 0.8356574890153287
Energy: 0.850697170291185
Energy: 0.8356574890153287
Energy: 0.9390022018064973
Energy: 0.8338187667348889
Energy: 0.8334302135022683
Energy: 0.8338187667354534
Energy: 1.0188819300366427
Energy: 0.835532431221456
Energy: 0.8600996190181555
Energy: 0.8355324312208913

minimum gb energy = 0.8129068101500361 eV
minimum distance =  2.49014983454004 Angstroms
sigma value = 89


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

Energy: 1.249401072062118
Energy: 0.7959578597327297
Energy: 0.7763875435473334
Energy: 0.7687871939658394
Energy: 0.760372639963549
Energy: 0.8439601873390252
Energy: 0.8364182908428694
Energy: 0.8439601873390252
Energy: 0.7603489106040022
Energy: 0.8437386071948332
Energy: 0.7884030633625592
Energy: 0.8437386071948332
Energy: 0.7610741180908832
Energy: 0.8448809697198411
Energy: 0.8208971591020414
Energy: 0.8448809697198411
Energy: 0.7874869266373877
Energy: 0.7685947639661068
Energy: 0.813880798097529
Energy: 0.7685947639661068
Energy: 0.7700781650293892
Energy: 0.7690818723605708
Energy: 0.8137139845140642
Energy: 0.7690818723605708
Energy: 0.7668115702922301
Energy: 0.7664414083946296
Energy: 0.8230090597873196
Energy: 0.7664414083946296
Energy: 0.7703745399530898
Energy: 0.7711184071290147
Energy: 0.7627719892593092
Energy: 0.7711184065323823
Energy: 0.7858743612007043
Energy: 0.7689425879187581
Energy: 0.7604710526660011
Energy: 0.7689425879187581
Energy: 0.7887728766991342
Energy: 0.8455514930615368
Energy: 0.7880927075970382
Energy: 0.8455514930615368
Energy: 0.8229945580555583
Energy: 0.8459857799423722
Energy: 0.7582893846198057
Energy: 0.8459857799408946
Energy: 0.8138839788356859
Energy: 0.7713580473724576
Energy: 0.7872006868176548
Energy: 0.7713580473724576
Energy: 0.8137414155504318
Energy: 0.7686955023104567
Energy: 0.770708946083142
Energy: 0.7686955023104567
Energy: 0.8218025200985128
Energy: 0.7659295477448885
Energy: 0.7654180311075887
Energy: 0.7659295477448885
Energy: 0.76935344192645
Energy: 0.7683925071106438
Energy: 0.7688800323174954
Energy: 0.7683925071106438

minimum gb energy = 0.7582893846198057 eV
minimum distance =  2.50857015634421 Angstroms
sigma value = 13


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

Energy: 1.1241108576165535
Energy: 0.7697877027950311
Energy: 0.7464207158803365
Energy: 0.7421528006560024
Energy: 0.7653360851622124
Energy: 0.738681468336562
Energy: 0.8416600587453551
Energy: 0.738681468336562
Energy: 0.7420810148085463
Energy: 0.737396542406924
Energy: 0.8373683991411475
Energy: 0.737396542406924
Energy: 0.9219655560142911
Energy: 0.8356526986669848
Energy: 0.8382324997047833
Energy: 0.8356526986669848
Energy: 0.8388006048671273
Energy: 0.7400667387820099
Energy: 0.8658172252637155
Energy: 0.7400667387813906
Energy: 0.8384685751155811
Energy: 0.7388178514736439
Energy: 0.866430479688044
Energy: 0.7388178514748824
Energy: 0.8350791382110329
Energy: 0.7382517158054847
Energy: 0.8395442415437493
Energy: 0.7382517158054847
Energy: 0.7715139189566709
Energy: 0.7532320895294049
Energy: 0.8369290059498892
Energy: 0.7532320895287855
Energy: 0.7456295585865306
Energy: 0.7392977593446874
Energy: 0.8474281842420958
Energy: 0.7392977593446874
Energy: 0.7397943310989805
Energy: 0.7388020886605062
Energy: 0.8398582073149015
Energy: 0.7388020886605062
Energy: 0.7383108919755552
Energy: 0.7425293640475906
Energy: 1.1259718625301744
Energy: 0.7425293640475906
Energy: 0.8738258515070803
Energy: 0.737213372425049
Energy: 0.8404134765522318
Energy: 0.7372133724244297
Energy: 0.8721393428315379
Energy: 0.781532902705602
Energy: 0.8703105629853499
Energy: 0.7815329027062213
Energy: 0.8670498076516384
Energy: 0.8766748033046134
Energy: 0.9237817169013173
Energy: 0.8766748033052327
Energy: 0.8387758190323047
Energy: 0.7417127968777676
Energy: 0.8654646987550113
Energy: 0.7417127968783868
Energy: 0.8477764800430726
Energy: 0.7392171978135553
Energy: 0.7409166112693951
Energy: 0.739217197812936
Energy: 0.8685483034691669
Energy: 0.7387164392468732
Energy: 0.7402370785075146
Energy: 0.7387164392462541
Energy: 0.7466775712531442
Energy: 0.7405691732054847
Energy: 0.7404419439127904
Energy: 0.7405691732079617
Energy: 0.9250375928946272
Energy: 0.7400691882581684
Energy: 0.8530763909813684
Energy: 0.7400691882581684
Energy: 0.8502410030925714
Energy: 0.73679271101234
Energy: 0.8333854640973737
Energy: 0.7367927110345772
Energy: 0.9214053112425598
Energy: 0.7427639704050196
Energy: 0.8385893956482786
Energy: 0.7427639704062583
Energy: 0.8397397198702311
Energy: 0.7930049547960549
Energy: 0.8690469315696838
Energy: 0.7930049547960549
Energy: 0.8443156506849223
Energy: 0.7402841159519313
Energy: 0.865085302889527
Energy: 0.7402841159519313
Energy: 0.7425293060313104
Energy: 0.7368055561423973
Energy: 0.8385997009994786
Energy: 0.7368055561430166
Energy: 0.8627094000759681
Energy: 0.7536763660055634
Energy: 0.836935837509561
Energy: 0.7536763660055634
Energy: 0.7532795752888106
Energy: 0.74229522625181
Energy: 0.8355868914189231
Energy: 0.74229522625181
Energy: 0.737620397745524
Energy: 0.7374446949398822
Energy: 0.8394919225527013
Energy: 0.7374446949398822
Energy: 0.7518509289805901
Energy: 0.741393255015143
Energy: 0.7444496140468595
Energy: 0.7413932550145237
Energy: 0.8706728510834965
Energy: 0.7387767237120867
Energy: 0.929694790321878
Energy: 0.7387767237120867
Energy: 0.8323001116956245
Energy: 0.7845786687485647
Energy: 0.871079314046122
Energy: 0.7845786687485647
Energy: 0.8686011828440711
Energy: 0.8795324778858576
Energy: 0.9224251825344929
Energy: 0.8795324778858576
Energy: 0.8481070217376816
Energy: 0.7405119944857196
Energy: 0.8692109041045128
Energy: 0.7405119944857196
Energy: 0.8416984154066157
Energy: 0.7417580351425566
Energy: 0.7473601796685058
Energy: 0.7417580351431758
Energy: 1.0241965132420665
Energy: 0.7374081876684064
Energy: 0.7376495788956493
Energy: 0.7374081876684064
Energy: 0.9263797343696654
Energy: 0.7426333154286611
Energy: 0.740272929778349
Energy: 0.7426333154286611

minimum gb energy = 0.73679271101234 eV
minimum distance =  2.49361720998893 Angstroms
sigma value = 37


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

Energy: 0.9885280544237834
Energy: 0.7214485992658458
Energy: 0.6800132711994329
Energy: 0.6816780166181416
Energy: 0.678973402084913
Energy: 0.680225387811528
Energy: 0.8435407308942702
Energy: 0.680225387811528
Energy: 0.9901737733062747
Energy: 0.7615764139350362
Energy: 0.8409509809001161
Energy: 0.7615764139350362
Energy: 0.9921811020523695
Energy: 0.6794643548150174
Energy: 0.8409587805959687
Energy: 0.6794643630140652
Energy: 0.7095645450232418
Energy: 0.7646128784336684
Energy: 0.832714531513898
Energy: 0.7646128784336684
Energy: 0.8430340702382854
Energy: 0.6805636729197551
Energy: 0.6745624534245181
Energy: 0.6805636729186897
Energy: 0.6746524138275698
Energy: 0.6791185770300858
Energy: 0.8405645627990438
Energy: 0.6791185770300858
Energy: 0.7103443078930638
Energy: 0.6795608196846579
Energy: 0.8328497100286745
Energy: 0.6795608196846579
Energy: 0.6806170386075967
Energy: 0.6828410108034435
Energy: 0.8331491218480577
Energy: 0.6828410108034435
Energy: 0.6812162691366944
Energy: 0.6802499908268358
Energy: 0.841927876275728
Energy: 0.6802499908268358
Energy: 0.6800129085951216
Energy: 0.6816780159376501
Energy: 0.9885280544237834
Energy: 0.7214485992658458
Energy: 0.8435407308942702
Energy: 0.680225387811528
Energy: 0.6789734014054869
Energy: 0.680225387811528
Energy: 0.8409509809001161
Energy: 0.7615764139350362
Energy: 0.9901737733062747
Energy: 0.7615764139350362
Energy: 0.8409587805959687
Energy: 0.679464413023135
Energy: 0.9921811020523695
Energy: 0.6794644388514005
Energy: 0.832714531513898
Energy: 0.7646128784336684
Energy: 0.7095645450232418
Energy: 0.7646128784336684
Energy: 0.6745624534234527
Energy: 0.6805636729186897
Energy: 0.8430340702382854
Energy: 0.6805636729197551
Energy: 0.8405645627979784
Energy: 0.6791185770300858
Energy: 0.6746524138275698
Energy: 0.6791185770300858
Energy: 0.8328497093236783
Energy: 0.6795608196846579
Energy: 0.7103443078930638
Energy: 0.6795608196846579
Energy: 0.8331491218480577
Energy: 0.6828410108034435
Energy: 0.6806170386086622
Energy: 0.6828410108034435
Energy: 0.8419278761607104
Energy: 0.6802499908279012
Energy: 0.6812162691366944
Energy: 0.6802499908268358

minimum gb energy = 0.6745624534234527 eV
minimum distance =  2.50998379674181 Angstroms
sigma value = 25


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

Energy: 1.119869109564973
Energy: 0.6503472595402129
Energy: 0.6178094438584538
Energy: 0.6156767122444038
Energy: 0.8513669580972794
Energy: 0.6130406042526001
Energy: 0.7386833261388112
Energy: 0.6130406042526001
Energy: 0.8530223751878375
Energy: 0.6123315049004575
Energy: 0.7351155972910564
Energy: 0.6123315049004575
Energy: 0.8456394687616936
Energy: 0.6169924954447628
Energy: 0.7413891211022702
Energy: 0.6169924954430989
Energy: 0.8878209695273959
Energy: 0.6810771518763853
Energy: 0.891852263674095
Energy: 0.6810771518763853
Energy: 0.86026694311138
Energy: 0.6774858070851802
Energy: 0.8911101782254471
Energy: 0.6774858070851802
Energy: 0.8531985706197335
Energy: 0.6791962106050755
Energy: 0.8885112257209856
Energy: 0.6791962106050755
Energy: 0.7359138825907321
Energy: 0.6171293966019924
Energy: 0.9544175793560014
Energy: 0.6171293966019924
Energy: 0.7360915399234331
Energy: 0.6121343847841948
Energy: 0.9667093497890932
Energy: 0.6121343847841948
Energy: 0.739786488013186
Energy: 0.6130175696045835
Energy: 0.8904223128225781
Energy: 0.6130175696045835
Energy: 0.6184771610884163
Energy: 0.6137426357074139
Energy: 0.980839163606182
Energy: 0.6137426357074139
Energy: 0.6167229267139097
Energy: 0.6128588652906015
Energy: 0.8893313100593788
Energy: 0.6128588652906015
Energy: 0.6142669574344728
Energy: 0.6146979604230229
Energy: 0.8497870960596098
Energy: 0.6146979604230229
Energy: 0.6273842946405153
Energy: 0.6178698847606949
Energy: 0.854260101668526
Energy: 0.6178698847606949
Energy: 0.73362684348437
Energy: 0.6115434205089215
Energy: 0.8890928218980616
Energy: 0.6115434205089215
Energy: 0.740349225873531
Energy: 0.6135533943444803
Energy: 0.8517502080330633
Energy: 0.6135533943444803
Energy: 0.8890197523528574
Energy: 0.6145751298273954
Energy: 0.8523448603173327
Energy: 0.6145751298398747
Energy: 0.7287216986912288
Energy: 0.6814208289524042
Energy: 0.8891179764014301
Energy: 0.6814208289524042
Energy: 0.8963870930750399
Energy: 0.6784592026374651
Energy: 0.8550853022229973
Energy: 0.6784592026374651
Energy: 0.888441535418024
Energy: 0.6788697246326297
Energy: 0.8583676781700449
Energy: 0.6788697246326297
Energy: 0.9829060652008563
Energy: 0.619238700295369
Energy: 0.7341921981584087
Energy: 0.619238700295369
Energy: 0.9682208661408891
Energy: 0.6115201260738331
Energy: 0.6122925178680217
Energy: 0.6115201260738331
Energy: 0.8845584865144912
Energy: 0.6149426060347616
Energy: 0.7331169827259325
Energy: 0.6149426060355937
Energy: 0.9532865356876912
Energy: 0.6117317498731969
Energy: 0.6182870022774315
Energy: 0.6117317498731969
Energy: 0.8893027411709652
Energy: 0.6114923912293432
Energy: 0.6122504489845244
Energy: 0.6114923912293432
Energy: 0.8476233088738312
Energy: 0.6186177803755262
Energy: 0.6186168993518316
Energy: 0.6186177803755262

minimum gb energy = 0.6114923912293432 eV
minimum distance =  2.5084600225161 Angstroms
sigma value = 41


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

Energy: 1.1976974882101983
Energy: 0.593781198043377
Energy: 0.5664958385101553
Energy: 0.5665513682918661
Energy: 0.9513976533860063
Energy: 0.5613193400267286
Energy: 0.6612061371766506
Energy: 0.5613193400267286
Energy: 0.9500303302652949
Energy: 0.560317377667572
Energy: 0.6623735845191506
Energy: 0.560317377667572
Energy: 0.9538719046659748
Energy: 0.5653795305042999
Energy: 0.7866883864650125
Energy: 0.5653795305036178
Energy: 1.031008090440515
Energy: 0.5591034211885317
Energy: 0.854280914349232
Energy: 0.5591034211885317
Energy: 0.9485029959471557
Energy: 0.5606888675722872
Energy: 0.8579309381811434
Energy: 0.5606888675729692
Energy: 0.9521536910909411
Energy: 0.6179143037544157
Energy: 0.9611694789809906
Energy: 0.617914303776924
Energy: 0.8546159577134814
Energy: 0.6171944706614054
Energy: 0.8535345126416445
Energy: 0.6171944706607234
Energy: 0.755600621602038
Energy: 0.6142576340836843
Energy: 0.965104749815365
Energy: 0.6142576340727712
Energy: 0.7587101312624295
Energy: 0.5593649727918693
Energy: 0.9587695707458461
Energy: 0.5593649727918693
Energy: 0.6550433444263127
Energy: 0.5673859610854252
Energy: 1.0811643692145017
Energy: 0.567385961084743
Energy: 0.6551555816153529
Energy: 0.5597312916199207
Energy: 1.0218478014177668
Energy: 0.5597312916199207
Energy: 0.6678815226245088
Energy: 0.5623609248609133
Energy: 0.9562063450370567
Energy: 0.5623609248609133
Energy: 0.5694100205822318
Energy: 0.5705815962405664
Energy: 0.9557762876347426
Energy: 0.5705815962405664
Energy: 0.5599685751759677
Energy: 0.5620451093185436
Energy: 0.9577821637689725
Energy: 0.5620451093185436
Energy: 0.5676053787652793
Energy: 0.5643054588789904
Energy: 0.9448138273835184
Energy: 0.5643054588789904
Energy: 0.6563346773470853
Energy: 0.5647089843388688
Energy: 0.9615007620635234
Energy: 0.5647089843388688
Energy: 0.6543114768862683
Energy: 0.6537072279233602
Energy: 0.9570889593782068
Energy: 0.6537072279233602
Energy: 0.6547128256437806
Energy: 0.5634481802738168
Energy: 0.9487519914447917
Energy: 0.5634481802738168
Energy: 0.8602159292579357
Energy: 0.5613763000738297
Energy: 0.9462683276861903
Energy: 0.5613763000745119
Energy: 0.8566732779742569
Energy: 0.616069358303852
Energy: 1.0220490515661573
Energy: 0.6160693583031699
Energy: 0.8608123933415616
Energy: 0.5609467598925851
Energy: 0.9532166538080038
Energy: 0.5609467598925851
Energy: 0.961339044706562
Energy: 0.6140462603771404
Energy: 0.9475992983736816
Energy: 0.6140462603771404
Energy: 0.853690280576235
Energy: 0.5623084638477344
Energy: 0.8630993067649576
Energy: 0.5623084638463702
Energy: 0.9607184838766741
Energy: 0.6162736902622288
Energy: 0.7470019656766932
Energy: 0.6162736902622288
Energy: 0.9614210904683589
Energy: 0.5612628271066238
Energy: 0.858920211565106
Energy: 0.5612628271073058
Energy: 0.9609838842034051
Energy: 0.5642212285611531
Energy: 0.6549515598438662
Energy: 0.5642212285611531
Energy: 1.0261239194783671
Energy: 0.653384465930681
Energy: 0.6527041361311996
Energy: 0.6533844659299989
Energy: 0.9574321212931979
Energy: 0.5667615347493906
Energy: 0.6551532034151861
Energy: 0.5667615347493906
Energy: 0.9586992333496166
Energy: 0.5645974904527316
Energy: 0.5597758936370612
Energy: 0.5645974904534136
Energy: 0.9573100173023985
Energy: 0.5617302168578726
Energy: 0.5612599351962094
Energy: 0.5617302168578726
Energy: 0.955563158934751
Energy: 0.5660712907087249
Energy: 0.5604402513573452
Energy: 0.5660712907087249

minimum gb energy = 0.5591034211885317 eV
minimum distance =  2.51022736131766 Angstroms
sigma value = 15


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

Energy: 1.0447159773909243
Energy: 0.5483687060896729
Energy: 0.5281902867926954
Energy: 0.5249738145494701
Energy: 0.9942432167926547
Energy: 0.520174327955326
Energy: 0.6054519525936506
Energy: 0.520174327955326
Energy: 1.060569263121192
Energy: 0.5199882602119911
Energy: 0.6052416516232866
Energy: 0.5199882602119911
Energy: 1.006072368085554
Energy: 0.5249917555889754
Energy: 0.7838037251425387
Energy: 0.5249917555895532
Energy: 1.0010247781850792
Energy: 0.5179438803714312
Energy: 0.7682280311789546
Energy: 0.5179438803714312
Energy: 0.995114985535432
Energy: 0.5186010451895345
Energy: 0.7724803976363716
Energy: 0.5186010451895345
Energy: 0.8518778200135554
Energy: 0.5246012541209091
Energy: 0.9289661016387722
Energy: 0.5246012541249537
Energy: 0.9382845359282344
Energy: 0.5693415407227826
Energy: 0.7648490060662445
Energy: 0.5693415407210493
Energy: 0.8529549315595035
Energy: 0.5647773926860321
Energy: 0.9260989734260294
Energy: 0.5647773926860321
Energy: 0.8528769304336149
Energy: 0.6789471724826707
Energy: 1.0017005052854728
Energy: 0.6789471724826707
Energy: 0.7820286223819646
Energy: 0.5230415779002634
Energy: 0.9499797421790315
Energy: 0.5230415779037304
Energy: 0.6778617696302222
Energy: 0.5176120766916703
Energy: 1.0010256443620906
Energy: 0.5176120766905148
Energy: 0.7706747067750537
Energy: 0.5201899895676154
Energy: 1.0038948770863405
Energy: 0.5201899895676154
Energy: 0.5976664355670116
Energy: 0.5238016031493739
Energy: 0.9283309260935101
Energy: 0.5238016031493739
Energy: 0.5977091990569642
Energy: 0.5185590093481095
Energy: 1.054931681989607
Energy: 0.5185590093481095
Energy: 0.612130998120137
Energy: 0.5229294318153548
Energy: 1.0026173945184553
Energy: 0.5229294318153548
Energy: 0.5230777816555972
Energy: 0.524611136396005
Energy: 1.0027698848784687
Energy: 0.524611136396005
Energy: 0.5201927690755609
Energy: 0.5193532119672026
Energy: 1.0015194754746752
Energy: 0.5193532119672026
Energy: 0.5295863999045394
Energy: 0.524144143586416
Energy: 0.9970772289720454
Energy: 0.524144143586416
Energy: 0.6118489370426562
Energy: 0.5228499494955992
Energy: 0.9906650201958731
Energy: 0.5228499494955992
Energy: 0.5963790832145502
Energy: 0.5178933426464559
Energy: 1.0026920331715297
Energy: 0.5178933426464559
Energy: 0.6109513957629348
Energy: 0.5243110176899427
Energy: 1.001913181323346
Energy: 0.5243110176899427
Energy: 0.7759701303334877
Energy: 0.5188771279265216
Energy: 0.991816275114907
Energy: 0.5188771279270994
Energy: 0.7662698030858692
Energy: 0.5178340213582385
Energy: 1.0538242250186494
Energy: 0.5178340213588163
Energy: 0.7829616471986781
Energy: 0.5220032806328182
Energy: 0.8536548044222956
Energy: 0.5220032806322403
Energy: 0.9265495104241805
Energy: 0.6787891038160289
Energy: 1.0042690397863598
Energy: 0.6787891038160289
Energy: 0.7660670228733636
Energy: 0.5648826050679363
Energy: 0.9243534029202641
Energy: 0.5648826050679363
Energy: 0.9369552573789645
Energy: 0.5693128986849866
Energy: 0.8540981114092373
Energy: 0.569312898683831
Energy: 0.9265385075587026
Energy: 0.5214588875907396
Energy: 0.926386726349231
Energy: 0.5214588875913174
Energy: 0.9243966827232432
Energy: 0.5185411623339251
Energy: 0.7701508846386526
Energy: 0.5185411623345029
Energy: 1.000256553946212
Energy: 0.5971984244950368
Energy: 0.677631984029566
Energy: 0.5971984244950368
Energy: 0.9270639530661001
Energy: 0.5244773688689057
Energy: 0.7831778433941683
Energy: 0.5244773688689057
Energy: 1.0044583022330198
Energy: 0.5202212143947603
Energy: 0.6033092589925491
Energy: 0.5202212143947603
Energy: 1.0047930681466082
Energy: 0.5204863713835737
Energy: 0.6010007913505837
Energy: 0.5204863713835737
Energy: 0.9980333217858801
Energy: 0.6085529815751962
Energy: 0.5457364772121271
Energy: 0.6085529814966668
Energy: 1.0012495575858147
Energy: 0.5197530369683999
Energy: 0.5230624873669584
Energy: 0.5197530369683999
Energy: 1.0104320996899894
Energy: 0.5200650902202174
Energy: 0.5248534581779304
Energy: 0.5200650902202174

minimum gb energy = 0.5176120766905148 eV
minimum distance =  2.50970602754475 Angstroms
sigma value = 85


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

Energy: 1.0921191566481612
Energy: 0.49392566572013497
Energy: 0.4727007743401557
Energy: 0.4732689758192121
Energy: 1.0170455873618427
Energy: 0.47242125239261895
Energy: 0.5394083803539811
Energy: 0.47242125239261895
Energy: 1.0125979271868855
Energy: 0.47240131677634656
Energy: 0.5464697155687468
Energy: 0.47240131677634656
Energy: 0.8907451500748473
Energy: 0.4710196588037549
Energy: 0.6898431036089593
Energy: 0.4710196588037549
Energy: 1.017441879474069
Energy: 0.4706358784424142
Energy: 0.6892114608746346
Energy: 0.4706358784424142
Energy: 0.8930632191354944
Energy: 0.4714936126803388
Energy: 0.6956201502151633
Energy: 0.4714936126798377
Energy: 0.892585846336346
Energy: 0.4718571809200103
Energy: 0.8431499468788588
Energy: 0.4718571809200103
Energy: 0.9516353578869622
Energy: 0.47153892502951783
Energy: 0.682763926719696
Energy: 0.471538925030019
Energy: 0.8985374836172749
Energy: 0.4716262814793917
Energy: 0.8364466623450338
Energy: 0.47162628149841196
Energy: 0.8970966933828967
Energy: 0.5484546039108226
Energy: 0.9585618318759648
Energy: 0.5484546039108226
Energy: 0.8347280841054255
Energy: 0.4716655251309169
Energy: 0.8417396579820832
Energy: 0.4716655251304158
Energy: 0.7639606450957785
Energy: 0.4713584798635681
Energy: 0.9597200401104735
Energy: 0.4713584798635681
Energy: 0.8326081163176701
Energy: 0.4711800286904414
Energy: 0.9544519222351632
Energy: 0.4711800286904414
Energy: 0.6902041200176626
Energy: 0.47283341309707044
Energy: 0.82978711985512
Energy: 0.47283341309707044
Energy: 0.6061336780875558
Energy: 0.470686763816199
Energy: 1.0605881805387058
Energy: 0.470686763816199
Energy: 0.6913938468939291
Energy: 0.47329115900148994
Energy: 0.9545799732983707
Energy: 0.47329115900148994
Energy: 0.5398255021299606
Energy: 0.47115688242593295
Energy: 0.9521870761440933
Energy: 0.47115688242593295
Energy: 0.5394431216823652
Energy: 0.47072799672091703
Energy: 1.01765149342771
Energy: 0.4707279967199148
Energy: 0.5398397729912664
Energy: 0.4711817876702933
Energy: 1.0161373882379963
Energy: 0.4711817876702933
Energy: 0.47118039952892754
Energy: 0.47130054313079217
Energy: 1.0165388129005055
Energy: 0.47130054313079217
Energy: 0.4722016431022871
Energy: 0.4711454323883164
Energy: 1.0188808083754328
Energy: 0.4711454323878153
Energy: 0.4714774184176175
Energy: 0.47176738710390975
Energy: 1.0090861206702626
Energy: 0.47176738710390975
Energy: 0.5397202385569055
Energy: 0.47481154108293633
Energy: 1.0116404341278036
Energy: 0.47481154108243523
Energy: 0.5419920393198252
Energy: 0.47090715178784454
Energy: 1.0673038075463468
Energy: 0.47090715178784454
Energy: 0.5409607415943002
Energy: 0.4717484572409824
Energy: 0.8909143416930793
Energy: 0.4717484572409824
Energy: 0.6941339832875575
Energy: 0.471381452526315
Energy: 1.0617907059802105
Energy: 0.471381452526315
Energy: 0.6912329207755495
Energy: 0.4708905855820932
Energy: 1.0106009973843055
Energy: 0.4708905855820932
Energy: 0.7942955374996861
Energy: 0.47286979463878864
Energy: 0.8938773043145476
Energy: 0.47286979463878864
Energy: 0.8338160327683506
Energy: 0.4720215563126791
Energy: 1.0127836847949259
Energy: 0.472021556312178
Energy: 0.8330848246156707
Energy: 0.4715261929545693
Energy: 0.8957123452131887
Energy: 0.4715261929510614
Energy: 0.9521755899262948
Energy: 0.5484005187826031
Energy: 0.7595583042441854
Energy: 0.5484005187831043
Energy: 0.8307699312131334
Energy: 0.5478474950403732
Energy: 0.9074534581239164
Energy: 0.5478474950403732
Energy: 0.9585887970380452
Energy: 0.47154183112233883
Energy: 0.7665554453216142
Energy: 0.47154183112484443
Energy: 1.012359015273088
Energy: 0.4714300602568768
Energy: 0.7656614707447862
Energy: 0.4714300602568768
Energy: 0.8388068404590964
Energy: 0.4740930156699933
Energy: 0.6997642961178936
Energy: 0.4740930156489457
Energy: 1.0625711300878453
Energy: 0.4708780485223441
Energy: 0.6908582988451758
Energy: 0.47087804849077264
Energy: 1.0199540780666168
Energy: 0.4716383880411345
Energy: 0.6949960650841313
Energy: 0.4716383880411345
Energy: 0.9526070989662051
Energy: 0.4713633197752328
Energy: 0.5417399848710357
Energy: 0.4713633197752328
Energy: 1.0607920146430554
Energy: 0.47090133856335276
Energy: 0.5408584008920639
Energy: 0.47090133856335276
Energy: 1.016730780756209
Energy: 0.4715277427213784
Energy: 0.5396016412801101
Energy: 0.4715277427213784
Energy: 0.9495695995671871
Energy: 0.47229950203177695
Energy: 0.47368605292494137
Energy: 0.4722995020352621
Energy: 1.0126253980401985
Energy: 0.4709521112121041
Energy: 0.47157978674910206
Energy: 0.4709521112121041
Energy: 1.0087823591721659
Energy: 0.4713653922713376
Energy: 0.47094291518775877
Energy: 0.47136539227233987

minimum gb energy = 0.4706358784424142 eV
minimum distance =  2.50801839895277 Angstroms
sigma value = 113


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

Energy: 0.01478325365686794
Energy: 0.015454158371465845
Energy: 0.8159034360288367
Energy: 0.39155756414097653
Energy: 0.016096942723585545
Energy: 0.10867979233805031
Energy: 0.5303385095833474
Energy: 0.10867979233843555
Energy: 0.015369924356315718
Energy: 0.10765497027180133
Energy: 0.5294479837116309
Energy: 0.10765497027180133
Energy: 0.016571269666944298
Energy: 0.10712221258789616
Energy: 0.5296294283748877
Energy: 0.10712221258789616
Energy: 0.5317599016063013
Energy: 0.11033749355309073
Energy: 0.5333555418589132
Energy: 0.11033749355309073
Energy: 0.015343099013987376
Energy: 0.10725457234295654
Energy: 0.5293403765526579
Energy: 0.10725457234295654

minimum gb energy = 0.01478325365686794 eV
minimum distance =  2.71027468891372 Angstroms
sigma value = 1