Model name: model_name=Sim_LAMMPS_ADP_WangXuQian_2021_AuRh__SM_066295357485_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Rh
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.79999965429306
cohesive_energy=5.750452262625298
mass=102.905
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=[2.94866189897994e-19, 3.8860634040006594e-19, 4.590187991110979e-19, 5.170320128516039e-19, 5.669302019409e-19, 6.10866691775082e-19, 6.500831692454999e-19, 6.853647009028139e-19, 7.17243209389512e-19, 7.46098410567852e-19, 7.72207480995516e-19, 7.95786714518094e-19, 8.170027375055219e-19, 8.359901327950559e-19, 8.528626549277099e-19, 8.677116279716218e-19, 8.806155585818579e-19, 8.91641738177046e-19, 9.00849447292644e-19, 9.08291557757574e-19, 9.14014532694222e-19, 9.18056824341804e-19, 9.204584871161699e-19, 9.2125156455e-19, 9.20379980461104e-19, 9.17521697346048e-19, 9.1224733186692e-19, 9.040393809709379e-19, 8.922585761811359e-19, 8.76116646593586e-19, 8.54644275344718e-19, 8.266270125459599e-19, 7.905459947482799e-19, 7.44488223050682e-19, 6.86018388969486e-19, 6.11928934883424e-19, 5.1736686776811e-19, 3.9581613525306595e-19, 2.38955031901296e-19, 3.58498237093938e-20, -2.30923320435054e-19, -5.93095348550754e-19, -1.095074911925928e-18, -1.7976421833479998e-18, -2.7843907286959194e-18, -4.17093040952586e-18, -6.117030279780299e-18, -8.842589082475739e-18, -1.2652260704567279e-17, -1.79573559315354e-17, -2.56168817656992e-17, -3.71028860548452e-17, -5.5182167628228e-17, -8.63616464495118e-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: 0.020072341957003987
Energy: 1.1993004941866285
Energy: 0.6482750955512739
Energy: 0.2459234460868511
Energy: 1.1993004941866285
Energy: 0.8443782538389889
Energy: 1.1993004941866285
Energy: 0.844378253841228
Energy: 0.6482750955512739
Energy: 1.1993004941866285
Energy: 0.020072341957003987
Energy: 0.021112850947684052
Energy: 0.24592344608738717
Energy: 0.8443782538395566
Energy: 0.021112850947147953
Energy: 0.844378253841228

minimum gb energy = 0.020072341957003987 eV
minimum distance =  2.62952356312228 Angstroms
sigma value = 1


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

Energy: 1.8058096277444555
Energy: 1.5749127391159574
Energy: 1.643074877301126
Energy: 1.642015869689513
Energy: 1.4669199581795243
Energy: 1.7248718185575964
Energy: 1.4703341753980341
Energy: 1.724871818560976
Energy: 1.6355740842983013
Energy: 1.6375426292049566
Energy: 1.9753151757158405
Energy: 1.6375426292042683
Energy: 1.4767520147705262
Energy: 1.4714362760513517
Energy: 1.4702928231740777
Energy: 1.47143627605204
Energy: 1.6940325368742997
Energy: 1.4698058812342496
Energy: 1.4665072696700774
Energy: 1.4698058812342496
Energy: 1.438323731494747
Energy: 1.4693305176592593
Energy: 1.470647566925912
Energy: 1.4693305176585705
Energy: 1.4351426743699787
Energy: 1.4333820071210246
Energy: 1.6951578529462428
Energy: 1.4333820071210246
Energy: 1.4391982253528475
Energy: 1.727087858498159
Energy: 1.5262226679605184
Energy: 1.727087858498159
Energy: 1.5163127597679198
Energy: 1.6057558666328018
Energy: 1.5194233804006958
Energy: 1.6057558666334903
Energy: 1.7176218610978322
Energy: 1.6799261434621766
Energy: 1.519032964524105
Energy: 1.6799261434621766
Energy: 1.5857414673323773
Energy: 1.6104661332397423
Energy: 1.520455355091232
Energy: 1.6104661332397423
Energy: 1.437862747885023
Energy: 1.7298296217589388
Energy: 1.5164191147947743
Energy: 1.7298296217596274
Energy: 1.4365839713103925
Energy: 1.436740118478042
Energy: 1.8034559186924348
Energy: 1.436740118492436
Energy: 1.4373398027964215
Energy: 1.4463731201558707
Energy: 1.5105892408514687
Energy: 1.446373120154494
Energy: 1.806695702538248
Energy: 1.4687752486275658
Energy: 1.4697602593483674
Energy: 1.4687752486275658
Energy: 1.4937756784471974
Energy: 1.4768052122535917
Energy: 1.4659782480617678
Energy: 1.4768052122529036
Energy: 1.6148097302018056
Energy: 1.6143601574118953
Energy: 2.133489364488796
Energy: 1.614360157411207
Energy: 1.4688231355344359
Energy: 1.4769936806015989
Energy: 1.4170345048868551
Energy: 1.4769936806043524
Energy: 1.9727665171737567
Energy: 1.6378527711800235
Energy: 1.6371991520638078
Energy: 1.6378527711807116
Energy: 1.4385092521463134
Energy: 1.8913652134252172
Energy: 1.4773030426266593
Energy: 1.8913652134245287
Energy: 1.4687535367666837
Energy: 1.4706727667550212
Energy: 1.6960578089991418
Energy: 1.4706727667550212
Energy: 1.4708048136758793
Energy: 1.4701432308757372
Energy: 1.4389625328016258
Energy: 1.4701432308757372
Energy: 1.6987062345112809
Energy: 1.4449590905512566
Energy: 1.4378864613660776
Energy: 1.4449590905519452
Energy: 1.524684336884382
Energy: 1.4386907151515274
Energy: 1.4392589035667451
Energy: 1.4386907151597885
Energy: 1.526247872538252
Energy: 1.6067856962295146
Energy: 1.5161457112484837
Energy: 1.6067856962295146
Energy: 1.5357526267389192
Energy: 1.6830174169723582
Energy: 1.7175561848071947
Energy: 1.6830174169723582
Energy: 1.5201172601948578
Energy: 1.6049199501993552
Energy: 1.5899653312667534
Energy: 1.60491995019729
Energy: 1.5158833089022037
Energy: 1.7322642234991361
Energy: 1.4395970493749195
Energy: 1.7322642234991361
Energy: 1.7982909827317417
Energy: 1.437102468310142
Energy: 1.4364769696347865
Energy: 1.437102468310142
Energy: 1.418402760196183
Energy: 1.4464429315975094
Energy: 1.4369977288452889
Energy: 1.4464429315981977
Energy: 1.4686954747696668
Energy: 1.4691559769326112
Energy: 1.8058301925785165
Energy: 1.4691559769332996
Energy: 1.466242190728721
Energy: 1.476575393884244
Energy: 1.4930389686101115
Energy: 1.476575393884244
Energy: 1.5150675390773254
Energy: 1.615914058594992
Energy: 1.6163249207794046
Energy: 1.615914058594992

minimum gb energy = 1.4170345048868551 eV
minimum distance =  2.46845883887199 Angstroms
sigma value = 1


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

Energy: 2.094919741577527
Energy: 1.683086855043855
Energy: 1.680634252471103
Energy: 1.683086855043855
Energy: 1.4939494447572634
Energy: 1.7642125624364926
Energy: 1.4966841703832692
Energy: 1.7642125624396323
Energy: 1.676191049363436
Energy: 1.6804023207538723
Energy: 1.9130315013338877
Energy: 1.6804023207530874
Energy: 1.5054954085123506
Energy: 1.762025819677226
Energy: 1.4970661024545602
Energy: 1.7620258196795808
Energy: 1.9170146652602462
Energy: 1.497914733617616
Energy: 1.4951980180969966
Energy: 1.4979147336191856
Energy: 1.4869486346159122
Energy: 1.4960619512093447
Energy: 1.497081377080569
Energy: 1.4960619512093447
Energy: 1.4892767682537722
Energy: 1.4868658187619581
Energy: 1.629241292136089
Energy: 1.486865818768166
Energy: 1.4844967798548074
Energy: 1.5564983825067844
Energy: 1.6982287929825655
Energy: 1.556498382503645
Energy: 1.6343152826612604
Energy: 1.685090340050367
Energy: 1.5268213983124672
Energy: 1.6850903400472275
Energy: 1.7024234259400084
Energy: 1.7207349004637855
Energy: 1.5533217104226884
Energy: 1.7207349004637855
Energy: 1.7418469204906655
Energy: 1.4873071405616154
Energy: 1.4908419004541196
Energy: 1.4873071405624003
Energy: 1.4454803591433407
Energy: 1.4993491305859863
Energy: 1.4858823492864324
Energy: 1.4993491305797784
Energy: 1.4978198778720428
Energy: 1.4958761088052088
Energy: 1.734355692459096
Energy: 1.4958761088067787
Energy: 1.493509729873993
Energy: 1.5073363794419623
Energy: 1.543970572355435
Energy: 1.5073363794403922
Energy: 2.0768976878007965
Energy: 1.6551435564466621
Energy: 1.6562207651494891
Energy: 1.6551435564458772
Energy: 1.448945423928502
Energy: 1.5081741274680731
Energy: 1.4970895953576304
Energy: 1.5081741274971148
Energy: 1.6809608990086702
Energy: 1.6817205678419413
Energy: 1.9119565483157255
Energy: 1.6817205678442961
Energy: 1.6566289008650947
Energy: 1.828824467623655
Energy: 1.6645405108169526
Energy: 1.828824467625225
Energy: 1.9080098825889082
Energy: 1.4960327365887018
Energy: 1.4968524804251087
Energy: 1.4960327365871322
Energy: 1.4871366708039724
Energy: 1.4957187244228856
Energy: 1.4975513572180754
Energy: 1.495718724418961
Energy: 1.4915867284021236
Energy: 1.6297718056757589
Energy: 1.630061709814636
Energy: 1.6297718056765438
Energy: 1.4863834800917313
Energy: 1.488435593931309
Energy: 1.6987895826622288
Energy: 1.488435593931309
Energy: 1.6332995899133935
Energy: 1.6474545951688617
Energy: 1.5370787534782127
Energy: 1.6474545951696467
Energy: 1.707259191363769
Energy: 1.7263577357194804
Energy: 1.560164998189989
Energy: 1.726357735720265
Energy: 1.7255143316148693
Energy: 1.4870727564449404
Energy: 1.486735874189225
Energy: 1.4870727564480801
Energy: 1.4474043733614343
Energy: 1.4969964664328999
Energy: 1.4856063253824787
Energy: 1.496996466432115
Energy: 1.495892312924045
Energy: 1.4960328478518254
Energy: 1.735582386018817
Energy: 1.4960328478518254
Energy: 1.4937209738651074
Energy: 1.5079353254805192
Energy: 1.5453791307112195
Energy: 1.5079353254805192
Energy: 1.537005846198831
Energy: 1.5042649805158965
Energy: 1.655609498020106
Energy: 1.5042649805166814

minimum gb energy = 1.4454803591433407 eV
minimum distance =  2.46071902198106 Angstroms
sigma value = 25


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

Energy: 2.159585626025062
Energy: 1.7323469370709943
Energy: 1.7332920477933935
Energy: 1.7323469370709943
Energy: 1.5453883448594785
Energy: 1.8141979934848984
Energy: 1.6439193449361327
Energy: 1.8141979934848984
Energy: 1.721228415329788
Energy: 1.7450387761272323
Energy: 1.918571010846111
Energy: 1.7450387761272323
Energy: 1.5617926919668519
Energy: 1.8133009290526099
Energy: 1.549499674378159
Energy: 1.8133009290526099
Energy: 1.9226490583985638
Energy: 1.5517247045628852
Energy: 1.5509054528913468
Energy: 1.5517247045628852
Energy: 1.6061883672368324
Energy: 1.5519777143942854
Energy: 1.5529322445161082
Energy: 1.5519777143924605
Energy: 1.6116244752641957
Energy: 1.6947731321297397
Energy: 1.6027576130670913
Energy: 1.6947731321315644
Energy: 1.60830666895004
Energy: 1.6108506973640695
Energy: 1.8170227547086824
Energy: 1.610850697363157
Energy: 1.6187870075656459
Energy: 1.6136130026213273
Energy: 1.7483397224835693
Energy: 1.6136130026213273
Energy: 1.6134956233966244
Energy: 1.6335905296591267
Energy: 1.503790930552531
Energy: 1.6335905296664264
Energy: 1.5593297979275136
Energy: 1.5672866432714265
Energy: 1.5673508193514774
Energy: 1.567286643270514
Energy: 1.559923284935237
Energy: 1.957986828513179
Energy: 1.5789050931489013
Energy: 1.957986828513179
Energy: 1.5720794743012938
Energy: 1.5722476274916681
Energy: 1.5479086315835453
Energy: 1.5722476274916681
Energy: 1.5723790416725891
Energy: 1.5510454228675958
Energy: 1.4828979674891116
Energy: 1.5510454228675958
Energy: 1.9188468395582503
Energy: 1.7429222068801746
Energy: 1.75042035950303
Energy: 1.742922206879262
Energy: 1.7219161361956363
Energy: 1.9068394507576696
Energy: 1.7429384471946572
Energy: 1.9068394507576696
Energy: 1.5680763732972518
Energy: 1.568121087842888
Energy: 1.921531054138393
Energy: 1.5681210878438006
Energy: 1.569121045879718
Energy: 1.5689012281450792
Energy: 1.6041823787291984
Energy: 1.5689012281459918
Energy: 1.6037027007175986
Energy: 1.6007512742659233
Energy: 1.6068517258065456
Energy: 1.6007512742640984
Energy: 1.7738896415378318
Energy: 1.5930191709390586
Energy: 1.614392953351718
Energy: 1.5930191709326715
Energy: 1.7388263621552627
Energy: 1.5975137000806938
Energy: 1.5963998672180202
Energy: 1.5975137000797812
Energy: 1.5066035516860892
Energy: 1.5986835096975014
Energy: 1.5989358365185318
Energy: 1.5986835100604881
Energy: 1.5445673771677215
Energy: 1.5454461145643854
Energy: 1.55825732328837
Energy: 1.5454461145643854
Energy: 1.5467641445146068
Energy: 1.56175435430107
Energy: 1.5595545305062832
Energy: 1.5617543543019825
Energy: 1.6324824216509162
Energy: 1.6527037987669433
Energy: 1.726742043378055
Energy: 1.6527037987687683

minimum gb energy = 1.4828979674891116 eV
minimum distance =  2.44192750060526 Angstroms
sigma value = 9


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

Energy: 2.0478388794019975
Energy: 1.7693916997991066
Energy: 1.7704218998200896
Energy: 1.7693916998012835
Energy: 1.7774611080545022
Energy: 1.8315115542539098
Energy: 1.6909464332791742
Energy: 1.8315115542539098
Energy: 1.7890697627073828
Energy: 1.7873788989801633
Energy: 2.397150941429739
Energy: 1.7873788989812516
Energy: 1.6056383943074028
Energy: 1.8296206578460905
Energy: 1.5998954167362645
Energy: 1.829620657847179
Energy: 1.791232332590046
Energy: 1.5997730036462114
Energy: 1.6008300956945445
Energy: 1.5997730036451228
Energy: 1.8185825125157327
Energy: 1.5979106890853882
Energy: 1.5985945441857468
Energy: 1.5979106890853882
Energy: 1.6330698387436178
Energy: 1.7755490943101835
Energy: 1.7750956710789583
Energy: 1.7755490943101835
Energy: 1.5735454904373716
Energy: 1.7620181069869656
Energy: 1.8445083976431564
Energy: 1.7620181069869656
Energy: 1.6264705398488821
Energy: 1.6266435828741013
Energy: 1.5800585722697769
Energy: 1.6266435828741013
Energy: 1.647209206456952
Energy: 1.5345241074616356
Energy: 1.5782657266026185
Energy: 1.534524107462724
Energy: 1.86816260619958
Energy: 1.5771284995652506
Energy: 1.57507642156
Energy: 1.5771284995652506
Energy: 1.5314804695754856
Energy: 1.5355422682218682
Energy: 1.5772462748121088
Energy: 1.5355422682218682
Energy: 1.806596209881982
Energy: 1.8057778130214548
Energy: 1.5764325571761075
Energy: 1.8057778130225433
Energy: 1.8064596237436212
Energy: 1.6270340158089516
Energy: 1.7446654994527713
Energy: 1.6270340158024206
Energy: 1.7968875338626966
Energy: 1.6093240671204099
Energy: 1.6097467033716824
Energy: 1.6093240671204099
Energy: 1.573499140354284
Energy: 1.61017269197104
Energy: 1.6088898439200894
Energy: 1.6101726919558015
Energy: 1.631395497484469
Energy: 1.772259213574531
Energy: 1.7702544880127016
Energy: 1.7722592135756194
Energy: 1.6259615939026777
Energy: 1.7639393681221471
Energy: 1.6801245917028313
Energy: 1.7639393681188817
Energy: 1.5870855713751295
Energy: 1.5880564902508647
Energy: 1.5778527405152654
Energy: 1.5880564902508647
Energy: 1.589958058819162
Energy: 1.6193353346087713
Energy: 1.578594834398163
Energy: 1.6193353346076829
Energy: 1.640797196053641
Energy: 1.6987182123345017
Energy: 1.770604170329063
Energy: 1.6987182123334137

minimum gb energy = 1.5314804695754856 eV
minimum distance =  2.43300653340588 Angstroms
sigma value = 25


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

Energy: 1.6656431474381184
Energy: 1.6634891868766575
Energy: 1.7366384295379538
Energy: 1.7351657222436996
Energy: 1.8121542511449669
Energy: 1.6706732516674285
Energy: 1.5662579216716705
Energy: 1.6706732516674285
Energy: 1.7357817753653575
Energy: 1.7353151225562902
Energy: 1.485143661012773
Energy: 1.7353151225576362
Energy: 1.7349518804312722
Energy: 1.6724889945552106
Energy: 1.5658223449676447
Energy: 1.6724889945538641
Energy: 1.5719297170506903
Energy: 1.588534189871784
Energy: 1.5849330001974562
Energy: 1.5885341898489
Energy: 1.4960319394203736
Energy: 1.5490781870496713
Energy: 1.546466313341524
Energy: 1.5490781870577481
Energy: 1.6553296589249498
Energy: 1.5915883941271916
Energy: 1.5804027950629849
Energy: 1.591588394120461
Energy: 1.4877480097261244
Energy: 1.6986847570976469
Energy: 1.5518347119599278
Energy: 1.698684757098993
Energy: 1.7323045231024279
Energy: 1.7348897203954812
Energy: 1.4851728902173236
Energy: 1.7348897203927889
Energy: 1.7350424525204433
Energy: 1.6994036751247081
Energy: 1.7396831561385482
Energy: 1.6994036751260544
Energy: 1.484838266529366
Energy: 1.735078579278874
Energy: 1.7298385850028968
Energy: 1.735078579278874
Energy: 1.7184373926401497
Energy: 1.6705638617175718
Energy: 1.7345472645106241
Energy: 1.6705638617189176
Energy: 1.564655615479546
Energy: 1.5879847547651498
Energy: 1.5757134388557656
Energy: 1.5879847547597652
Energy: 1.5759553711644232
Energy: 1.589378629502426
Energy: 1.498325330857485
Energy: 1.5893786295037722
Energy: 1.5834985555192114
Energy: 1.5946909497407373
Energy: 1.4903684851603562
Energy: 1.5946909497420836
Energy: 1.5472219355873054
Energy: 1.4964129661041727
Energy: 1.485672774704965
Energy: 1.4964129661041727
Energy: 1.4871536675146382
Energy: 1.4958303273139013
Energy: 1.7347542534887466
Energy: 1.4958303273152473

minimum gb energy = 1.484838266529366 eV
minimum distance =  2.52643989882 Angstroms
sigma value = 17


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

Energy: 2.4240204768515214
Energy: 1.818897444109799
Energy: 1.8781983407068281
Energy: 1.879745321724337
Energy: 1.6255958500759333
Energy: 1.6340302420540618
Energy: 1.81699886118278
Energy: 1.6340302420837247
Energy: 1.6307095088733097
Energy: 1.6307605606843147
Energy: 2.1744065147080316
Energy: 1.6307605606820277
Energy: 1.6293710032343691
Energy: 1.6387272315428734
Energy: 1.632478887010635
Energy: 1.638727231545923
Energy: 1.7772066517970007
Energy: 1.7577492021277263
Energy: 1.6259478543110606
Energy: 1.7577492021292513
Energy: 1.6399885153452634
Energy: 1.6329340841994295
Energy: 1.6343820406236844
Energy: 1.6329340842459346
Energy: 1.7297251224087913
Energy: 1.6285437805499532
Energy: 1.6277277588240462
Energy: 1.6285437805484286
Energy: 1.7680793077050154
Energy: 1.6366918496955032
Energy: 1.6272966217134655
Energy: 1.636691849696266
Energy: 1.882278741203633
Energy: 1.8825503860422572
Energy: 1.7429745183986822
Energy: 1.8825503860414947
Energy: 1.8796673966721114
Energy: 1.6306435094351477
Energy: 1.7772864963366395
Energy: 1.63064350943591
Energy: 1.786729722221487
Energy: 1.5820090454051725
Energy: 1.564949586851559
Energy: 1.5820090454028854
Energy: 1.7530441594677684
Energy: 1.570692484217214
Energy: 1.5674461141668523
Energy: 1.570692484218739
Energy: 1.7346021313108435
Energy: 1.57090611323381
Energy: 1.5684438999310113
Energy: 1.57090611323381
Energy: 1.7353521497686204
Energy: 1.6802947582182208
Energy: 1.5647434555029003
Energy: 1.6802947582182208
Energy: 1.8756019994433542
Energy: 1.6323548645782902
Energy: 1.759820173010853
Energy: 1.6323548646087158
Energy: 1.8776666207090111
Energy: 1.8043852354126395
Energy: 1.7601725925807785
Energy: 1.8043852354126395
Energy: 1.742849471814071
Energy: 1.635056400230068
Energy: 1.6321172546948837
Energy: 1.6350564002315928
Energy: 1.7703549103883125
Energy: 1.6357245677265917
Energy: 1.6251048538093558
Energy: 1.6357245677296413
Energy: 1.6311291396068808
Energy: 1.7600905515515373
Energy: 1.635376026484085
Energy: 1.7600905515538245
Energy: 1.6204252745277452
Energy: 1.7597663156513124
Energy: 1.6367695166571041
Energy: 1.75976631565055
Energy: 1.6284662068571347
Energy: 1.6357270124231706
Energy: 1.7614485692140647
Energy: 1.6357270124224084
Energy: 1.629894923561885
Energy: 1.623305860668389
Energy: 1.9433158506329204
Energy: 1.623305860668389
Energy: 1.6525943268877443
Energy: 1.6330641914132562
Energy: 1.8776009579739967
Energy: 1.6330641914155435
Energy: 1.852892096732157
Energy: 1.8784502778107715
Energy: 1.8756250731046187
Energy: 1.8784502778122962
Energy: 1.5658480031357662
Energy: 1.6379158888131773
Energy: 1.7759568094932292
Energy: 1.6379158888131773
Energy: 1.570744611593587
Energy: 1.5743204370161956
Energy: 1.770262943585378
Energy: 1.574320437019245
Energy: 1.5549651300522673
Energy: 1.560624966158492
Energy: 1.74384186331942
Energy: 1.560624966158492
Energy: 1.5796802574638589
Energy: 1.5721728981244476
Energy: 1.7348983042992743
Energy: 1.5721728981229228
Energy: 1.5700624292844196
Energy: 1.637418634762913
Energy: 1.726022260427938
Energy: 1.637418634762913
Energy: 1.7305889220251995
Energy: 1.878464483569383
Energy: 1.8739356975886794
Energy: 1.8784644835709077

minimum gb energy = 1.5549651300522673 eV
minimum distance =  2.43857138797221 Angstroms
sigma value = 53


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

Energy: 2.189640414317387
Energy: 1.6973920376215361
Energy: 1.6786983836572131
Energy: 1.6973920375303098
Energy: 1.6963829429809962
Energy: 1.5522729532969055
Energy: 1.6849708682822255
Energy: 1.5522729532986606
Energy: 1.6776741544841847
Energy: 1.6812483130738547
Energy: 1.7803153811278487
Energy: 1.6812483130720994
Energy: 1.6981083795789251
Energy: 1.5528110968184818
Energy: 1.7531653477929001
Energy: 1.5528110968184818
Energy: 1.7823271100806868
Energy: 1.5808361133187996
Energy: 1.3857878203521639
Energy: 1.5808361133187996
Energy: 1.749670780154726
Energy: 1.55928668628477
Energy: 1.391324196240883
Energy: 1.55928668628477
Energy: 2.093413001855045
Energy: 1.690821750216172
Energy: 1.68062473268678
Energy: 1.6908217502144172
Energy: 2.0289971938099844
Energy: 1.5579458311286944
Energy: 1.68729776512835
Energy: 1.5579458311286944
Energy: 1.6788964426274606
Energy: 1.6813557211012897
Energy: 1.7591593303279778
Energy: 1.6813557210977794
Energy: 1.6932690878102914
Energy: 1.556473085057191
Energy: 1.7648216023782402
Energy: 1.556473085057191
Energy: 1.7773742323333606
Energy: 1.5562395990413902
Energy: 1.3938595904555278
Energy: 1.5562395990413902
Energy: 1.7549364634708444
Energy: 1.5595931218878434
Energy: 1.3809338134176519
Energy: 1.5595931218878434
Energy: 2.0302486294816178
Energy: 1.5595003132081673
Energy: 1.6901375915351557
Energy: 1.5595003132099223

minimum gb energy = 1.3809338134176519 eV
minimum distance =  2.51099157856789 Angstroms
sigma value = 9


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

Energy: 2.1711549089428734
Energy: 1.8662597790150308
Energy: 1.9258086112379948
Energy: 1.9188240588457952
Energy: 1.5930729384275049
Energy: 1.576201020019501
Energy: 1.9230940893426225
Energy: 1.5762009619068098
Energy: 1.5791710065927167
Energy: 1.582212888366381
Energy: 2.0105114903267167
Energy: 1.5822128883702786
Energy: 1.5773978506143884
Energy: 1.5938942374512761
Energy: 2.135117647851494
Energy: 1.5938942374525753
Energy: 1.5831487987041784
Energy: 1.5809108045017122
Energy: 2.1444575322015074
Energy: 1.5809108045023619
Energy: 1.5949052363523317
Energy: 1.6801766656711896
Energy: 2.145398173874436
Energy: 1.6801766656971737
Energy: 2.029856781669129
Energy: 1.9306988030641652
Energy: 1.931399018726834
Energy: 1.9306988030654646
Energy: 1.989383813088188
Energy: 1.5768606897387412
Energy: 1.922933984163198
Energy: 1.5768606897458868
Energy: 1.684870585517446
Energy: 1.7173979713960572
Energy: 1.703433940927721
Energy: 1.7173979713973566
Energy: 1.5717904870847443
Energy: 1.720022986565627
Energy: 1.9716306689617553
Energy: 1.7200229865591308
Energy: 1.6850570770730047
Energy: 1.6903813873415308
Energy: 1.8572270624236913
Energy: 1.6903813873415308
Energy: 1.6801462382262107
Energy: 1.6792233022865553
Energy: 2.158545405350619
Energy: 1.6792233022872047
Energy: 1.9972664831086284
Energy: 1.6921386163571435
Energy: 1.6810732180293462
Energy: 1.692138616357793
Energy: 1.9954711605199549
Energy: 1.682614926442809
Energy: 1.6801620779286504
Energy: 1.6826149264421593
Energy: 1.9738863870801957
Energy: 1.7098000609222146
Energy: 1.6975590881303322
Energy: 1.7098000602274384
Energy: 1.8224243572336714
Energy: 1.7148255126368177
Energy: 1.6973211301635607
Energy: 1.7148248674080262
Energy: 1.922664422803064
Energy: 1.5778972266741742
Energy: 1.7039031299791723
Energy: 1.5778972258281005
Energy: 1.9137517342544643
Energy: 1.9162938837622163
Energy: 2.168281835371258
Energy: 1.9162938837615668
Energy: 1.9215375844506637
Energy: 1.5765803962117404
Energy: 1.7165567751441684
Energy: 1.5765803962039453
Energy: 2.006466756616341
Energy: 1.5805418943419554
Energy: 1.5821646458427718
Energy: 1.5805419859480512
Energy: 2.0631997326639553
Energy: 1.579206023629585
Energy: 1.5769119135251042
Energy: 1.5792060236510217
Energy: 2.139724734606032
Energy: 1.5763084368597378
Energy: 1.5798287443617236
Energy: 1.5763084368603875
Energy: 2.1419542682814536
Energy: 1.5889005575450612
Energy: 1.600600115481992
Energy: 1.58890055756325
Energy: 1.928123837777337
Energy: 1.9143852611340442
Energy: 2.0289351176888273
Energy: 1.9143852611340442
Energy: 1.917324217975022
Energy: 1.6816582700137443
Energy: 1.9889297475109404
Energy: 1.6816582700124452
Energy: 1.705742816439236
Energy: 1.7179066241466199
Energy: 1.6820960549141903
Energy: 1.717906624106345
Energy: 1.9769395269704282
Energy: 1.717744117994256
Energy: 1.573951300469887
Energy: 1.7177441192104246
Energy: 1.8536247080722137
Energy: 1.6892327403738492
Energy: 1.6857904020780554
Energy: 1.6892327403738492
Energy: 2.1655682048195284
Energy: 1.6836126753352179
Energy: 1.6802397336020827
Energy: 1.6836126753339187
Energy: 1.680325745508134
Energy: 1.6899235150752776
Energy: 1.996593712684022
Energy: 1.6899235150752776
Energy: 1.6810143170992895
Energy: 1.6836280239293393
Energy: 1.9975710854456725
Energy: 1.6836280239293393
Energy: 1.6989747579767642
Energy: 1.6955284900014183
Energy: 1.9768636506001065
Energy: 1.6955284900085639
Energy: 1.6956615417467182
Energy: 1.718480133046112
Energy: 1.8178494480451504
Energy: 1.7184801330532575
Energy: 1.7007222841386365
Energy: 1.5766128223042182
Energy: 1.8062770049537058
Energy: 1.576612822983345
Energy: 2.1623633880332824
Energy: 1.9145712309759984
Energy: 1.9186450525981873
Energy: 1.9145712309746992

minimum gb energy = 1.5717904870847443 eV
minimum distance =  2.44458130640696 Angstroms
sigma value = 73


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

Energy: 2.244990787279645
Energy: 1.8576823156071633
Energy: 1.8547383123545782
Energy: 1.8576823156071633
Energy: 1.6376270933366932
Energy: 1.7103952969025304
Energy: 1.8505957521348961
Energy: 1.7098760565168234
Energy: 1.6466704200721192
Energy: 1.6466558869430532
Energy: 1.9519024961344804
Energy: 1.6466558869440837
Energy: 1.633900798144468
Energy: 1.6366714650378085
Energy: 2.125577003180708
Energy: 1.6366714568653753
Energy: 1.6368631840882268
Energy: 1.6417849294220026
Energy: 2.0720422216972074
Energy: 1.6417849294220026
Energy: 1.6426479469678474
Energy: 1.881963281549386
Energy: 1.9330901175085613
Energy: 1.8819632815483553
Energy: 1.7802788475314715
Energy: 1.901827107862924
Energy: 1.9091446935327618
Energy: 1.9018271078618931
Energy: 1.7801920152300386
Energy: 1.636237074037192
Energy: 1.8991356432742441
Energy: 1.636237074037192
Energy: 1.7445320789683156
Energy: 1.5811725946383346
Energy: 1.947151709401038
Energy: 1.5811725946383346
Energy: 1.7030795701431574
Energy: 1.839837037536017
Energy: 1.9554724601804512
Energy: 1.839837037536017
Energy: 1.690838026896246
Energy: 1.6507718624306185
Energy: 1.601332399857951
Energy: 1.6507718624295877
Energy: 1.6932229020087384
Energy: 1.6939918540444256
Energy: 2.059763443698026
Energy: 1.6939918540444256
Energy: 1.9346511650400096
Energy: 1.650258032319716
Energy: 1.7199749315734736
Energy: 1.650258032319716
Energy: 1.9362332673460632
Energy: 1.7169091616208147
Energy: 1.7144602204379809
Energy: 1.7169091616208147
Energy: 1.976237948710276
Energy: 1.6883742167760434
Energy: 1.6918085213345861
Energy: 1.6883742167760434
Energy: 2.0721193720414246
Energy: 1.692465058454198
Energy: 1.686369628436916
Energy: 1.6924650584531675
Energy: 2.000148043660738
Energy: 1.8938517804235948
Energy: 1.6940009879979105
Energy: 1.8938517804246255
Energy: 1.8701266362965547
Energy: 1.8716645518884512
Energy: 2.0105035617863956
Energy: 1.8716645518884512
Energy: 1.8574744937967385
Energy: 1.7075176487644415
Energy: 1.7781135597017772
Energy: 1.707517648765472
Energy: 1.879896258782838
Energy: 1.8141711555698767
Energy: 1.8706780064960535
Energy: 1.814171155568846
Energy: 1.8833498092430752
Energy: 1.7204890233987107
Energy: 1.701328518874816
Energy: 1.7204890233966494
Energy: 2.0036721134407007
Energy: 1.776075655090569
Energy: 1.845464720311863
Energy: 1.7760756550895385

minimum gb energy = 1.5811725946383346 eV
minimum distance =  2.44245957686221 Angstroms
sigma value = 7


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

Energy: 2.5188139911533374
Energy: 1.8740741178821096
Energy: 1.8779119340890107
Energy: 1.8740741178762794
Energy: 1.632634062844771
Energy: 1.6339606073660864
Energy: 1.8869494553644797
Energy: 1.6339606059237095
Energy: 1.6365646660125528
Energy: 1.6375233734100973
Energy: 1.8227230712457188
Energy: 1.6375233670478315
Energy: 1.6158045123530347
Energy: 1.6595485010854842
Energy: 2.028107895051096
Energy: 1.6595485011000595
Energy: 1.6484328810011273
Energy: 1.6422114297460255
Energy: 1.9863630843257878
Energy: 1.6422114297460255
Energy: 1.6556566812982016
Energy: 1.6296148384319198
Energy: 1.9901510256763757
Energy: 1.6296148951010128
Energy: 1.9329432580087247
Energy: 1.6546954803634946
Energy: 1.6537537202417052
Energy: 1.6546954803598508
Energy: 1.9376064351704083
Energy: 1.6929793829002378
Energy: 1.651496602860602
Energy: 1.6929793829009665
Energy: 1.945182216099244
Energy: 1.627700905391102
Energy: 1.6204012416563593
Energy: 1.6277009075167381
Energy: 1.9977950471502666
Energy: 1.6344254883275828
Energy: 1.6457388290431871
Energy: 1.6344254883253966
Energy: 1.8830541872435873
Energy: 1.8038819533125101
Energy: 1.6447522776242258
Energy: 1.8038819532149204
Energy: 1.858726953222679
Energy: 1.8532330003919568
Energy: 1.900756788120992
Energy: 1.853233000390499
Energy: 1.8301643959428697
Energy: 1.8552658769099872
Energy: 1.8638680285824263
Energy: 1.8552658769085297
Energy: 1.8231430639191915
Energy: 1.7799581075826694
Energy: 1.6436016626412329
Energy: 1.779958107581941
Energy: 1.864214653413849
Energy: 1.8370797593868309
Energy: 1.6566962183566452
Energy: 1.8370797593882884
Energy: 1.6788517781245929
Energy: 1.8534838206115198
Energy: 1.8605936809447339
Energy: 1.8534838206129773
Energy: 1.9634269208697155
Energy: 1.624865752450006
Energy: 1.8840546078280094
Energy: 1.6248765972948775
Energy: 1.6532400846399224
Energy: 1.6366786271066278
Energy: 1.8207629171752877
Energy: 1.6366786270971536
Energy: 1.6181325425681319
Energy: 1.6252416099076368
Energy: 1.884269296900938
Energy: 1.6252416099127382
Energy: 1.6459831620897107
Energy: 1.692858672876006
Energy: 1.6857393694876968
Energy: 1.6928586728767347
Energy: 1.6522717750594766
Energy: 1.6891587958729768
Energy: 1.9912188793969214
Energy: 1.6891587958707903
Energy: 1.8776523837431265
Energy: 1.6947398406140328
Energy: 1.6531768983134223
Energy: 1.6947398406140328
Energy: 1.9341429546030269
Energy: 1.6500581821011744
Energy: 1.6482674737067817
Energy: 1.6500581821011744
Energy: 1.9363640740603556
Energy: 1.6649402113862477
Energy: 1.6172926063764832
Energy: 1.6649402113869767
Energy: 1.996706538301768
Energy: 1.6361430032681985
Energy: 1.634510539341024
Energy: 1.6361430032674695
Energy: 2.004229129001778
Energy: 1.8043956839392419
Energy: 1.6329956060578374
Energy: 1.8043956839392419
Energy: 1.874562839465623
Energy: 1.8739107580283212
Energy: 2.2528411664160344
Energy: 1.8739107580275922
Energy: 1.8345045077101658
Energy: 1.8057148185567424
Energy: 1.631670104026781
Energy: 1.8057148185582
Energy: 1.8208465374380574
Energy: 1.7825407972587908
Energy: 1.82679212761017
Energy: 1.7825407972595195
Energy: 1.8548736832098065
Energy: 1.6267610708939844
Energy: 1.643991074900832
Energy: 1.626761071682187
Energy: 1.683241495944765
Energy: 1.8467849921098864
Energy: 1.845222717251256
Energy: 1.8467849921091575

minimum gb energy = 1.6158045123530347 eV
minimum distance =  2.46331456673043 Angstroms
sigma value = 29


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

Energy: 1.4928064408622939
Energy: 1.6582731004488298
Energy: 1.5423111975819233
Energy: 1.545211439046668
Energy: 1.690551796127649
Energy: 1.5419918013199574
Energy: 1.6887534915248457
Energy: 1.5419918013224394
Energy: 1.5438440264127598
Energy: 1.541385563682658
Energy: 1.5030899349886782
Energy: 1.541385563680176
Energy: 1.5666808992918544
Energy: 1.550384960742492
Energy: 1.6884099727420432
Energy: 1.550384960742492
Energy: 1.5435943343796679
Energy: 1.54798709196579
Energy: 1.4996903017395542
Energy: 1.547987091968272
Energy: 1.6890457402972519
Energy: 1.6928933484347781
Energy: 1.5001861977954207
Energy: 1.6928933484298134
Energy: 1.5037460492841528
Energy: 1.694436430650899
Energy: 1.6968240491187296
Energy: 1.694436430650899
Energy: 1.6904773828500812
Energy: 1.5425370920548769
Energy: 1.568232445690266
Energy: 1.5425370920548769
Energy: 1.501602028886453
Energy: 1.5391354113314941
Energy: 1.5439954618879657
Energy: 1.5391354113314941

minimum gb energy = 1.4928064408622939 eV
minimum distance =  2.53163128778481 Angstroms
sigma value = 5


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

Energy: 2.1920506054673052
Energy: 1.6463477124492552
Energy: 1.646756983595953
Energy: 1.6463477131428648
Energy: 1.901221051613192
Energy: 1.6461006708849388
Energy: 1.8490288195105293
Energy: 1.6461006694646758
Energy: 1.8685546559990662
Energy: 1.821399051190473
Energy: 1.88004641537212
Energy: 1.8213990511911615
Energy: 1.7812286602232683
Energy: 1.8123502140359404
Energy: 1.9318358743650366
Energy: 1.8123502140373173
Energy: 1.816484797473128
Energy: 1.8032184196957284
Energy: 1.7887856282177275
Energy: 1.8032184196950398
Energy: 1.656194637179308
Energy: 1.671019169570717
Energy: 1.799327169301896
Energy: 1.6710191695714054
Energy: 1.6468797201621224
Energy: 1.6462518661370205
Energy: 1.8874170763945388
Energy: 1.646251866139086
Energy: 1.6487930048201989
Energy: 1.653602400501078
Energy: 1.9696063127857466
Energy: 1.6536024005038317
Energy: 1.7827931326621187
Energy: 1.7896431416662715
Energy: 1.9287078361798782
Energy: 1.7896431416662715
Energy: 1.9685481011632098
Energy: 1.60668381336013
Energy: 1.6092570448560428
Energy: 1.606683813307873
Energy: 1.8440826684462743
Energy: 1.6133669772479096
Energy: 1.6136114178755316
Energy: 1.613366977246533
Energy: 1.9550605721058347
Energy: 1.609986563178052
Energy: 1.6277554666925798
Energy: 1.609986563215915
Energy: 1.9334302224763418
Energy: 1.7994839321174014
Energy: 1.7696515557220902
Energy: 1.7994839321167129
Energy: 1.8543285439330497
Energy: 1.5852693716785518
Energy: 1.9592164771309428
Energy: 1.5852693716647834
Energy: 1.7310240350285424
Energy: 1.5909044514547588
Energy: 1.9236540109003502
Energy: 1.5909044514554471
Energy: 1.6991068102281224
Energy: 1.5815307390322293
Energy: 1.780679326530117
Energy: 1.5815307390322293
Energy: 1.697001948249971
Energy: 1.697764710397084
Energy: 1.685437081075061
Energy: 1.697764710398461
Energy: 1.8860710612648035
Energy: 1.5837152756318056
Energy: 1.5842670694644956
Energy: 1.5837152756318056
Energy: 1.9573690202306557
Energy: 1.7813687684759774
Energy: 1.6806205179781395
Energy: 1.7813687684759774
Energy: 1.978907729795796
Energy: 1.7726404538031475
Energy: 1.7781806512090113
Energy: 1.7726404538031475
Energy: 1.792585794560418
Energy: 1.6623407931917702
Energy: 1.6847255224756188
Energy: 1.6623407931938354
Energy: 1.7959259209894263
Energy: 1.7333935192979812
Energy: 1.6631039946905832
Energy: 1.733393519297293
Energy: 1.9861032938506789
Energy: 1.658426809298095
Energy: 1.6586135894377223
Energy: 1.658426809298095
Energy: 1.967892717443441
Energy: 1.7549169721355984
Energy: 1.6586343459687234
Energy: 1.7549169721362867
Energy: 1.9262944782759994
Energy: 1.6720514996195541
Energy: 1.7990821808130244
Energy: 1.6720514996195541
Energy: 1.596196213248192
Energy: 1.595916279421465
Energy: 1.9686039944470692
Energy: 1.5959162794434942
Energy: 1.5973495002889955
Energy: 1.59672289108208
Energy: 1.6476735848498916
Energy: 1.5967228910827684
Energy: 1.5974166513942945
Energy: 1.6004293891378216
Energy: 1.6649040459987297
Energy: 1.6004293891385102
Energy: 1.596629496550523
Energy: 1.768932705180015
Energy: 1.9364113615047933
Energy: 1.7689327051807033
Energy: 1.9535689412499044
Energy: 1.704697080318071
Energy: 1.7974371817476507
Energy: 1.7046970713733058
Energy: 1.928959919798643
Energy: 1.6467302624332218
Energy: 1.6453915905240308
Energy: 1.6467302624339102
Energy: 1.90249155599487
Energy: 1.6436511515010734
Energy: 1.651154980240492
Energy: 1.6436511514996968
Energy: 1.6617316676728358
Energy: 1.6496731101749964
Energy: 1.6481153290565216
Energy: 1.64967311017775

minimum gb energy = 1.5815307390322293 eV
minimum distance =  2.42111485040907 Angstroms
sigma value = 1


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

Energy: 2.1770452897509593
Energy: 1.591439084132659
Energy: 1.5974731970447944
Energy: 1.591439084555107
Energy: 1.5982868595981556
Energy: 1.592896033631696
Energy: 1.835286932817833
Energy: 1.592896033631696
Energy: 1.7140210554067723
Energy: 1.812361454045621
Energy: 1.7941906895067803
Energy: 1.812361454045621
Energy: 1.6364392418272
Energy: 1.58980152865319
Energy: 1.5911776351646567
Energy: 1.5898015291346086
Energy: 1.8039125594868644
Energy: 1.6431575766835436
Energy: 1.819139960989114
Energy: 1.6431575766835436
Energy: 1.6125096328457265
Energy: 1.6134811818806656
Energy: 1.8169578564597282
Energy: 1.6134811818806656
Energy: 1.584770789183746
Energy: 1.590328750676815
Energy: 1.5881775451379783
Energy: 1.590328750676815
Energy: 1.591354332284324
Energy: 1.5934207967449419
Energy: 1.9371539229896422
Energy: 1.5934207967458938
Energy: 1.7946522916136358
Energy: 1.7254363442439984
Energy: 1.5278463573371093
Energy: 1.7254363442439984
Energy: 1.9037657882334662
Energy: 1.5903376845507862
Energy: 1.5919810643006986
Energy: 1.5903376845488824
Energy: 1.8047245693134655
Energy: 1.5910528423921948
Energy: 1.5860849276307338
Energy: 1.5910528423912431
Energy: 1.921590962956495
Energy: 1.592928627111812
Energy: 1.6423300474066815
Energy: 1.5929286271184748
Energy: 1.9205016439776543
Energy: 1.7657661399652942
Energy: 1.8018156467268935
Energy: 1.7657661399652942
Energy: 1.5903964684589789
Energy: 1.5889324455926235
Energy: 1.8019697495476028
Energy: 1.5889324455945273
Energy: 1.6324224616362397
Energy: 1.8084141883798728
Energy: 1.8400362035279612
Energy: 1.8084141883798728
Energy: 1.6336760877243104
Energy: 1.5920453894045885
Energy: 1.5896649727911232
Energy: 1.5920453894045885
Energy: 1.7156390202811098
Energy: 1.788402785433823
Energy: 1.8825363273480236
Energy: 1.788402785433823
Energy: 1.6128488506583043
Energy: 1.5949372229468552
Energy: 1.778784887363168
Energy: 1.5949372229468552
Energy: 1.5881727592142334
Energy: 1.5940690560366462
Energy: 1.5278662926618212
Energy: 1.5940690560366462
Energy: 1.5949353062908627
Energy: 1.5908355601502544
Energy: 2.1083177158225053
Energy: 1.5908355601369286
Energy: 1.8786033157006081
Energy: 1.7268250270150363
Energy: 1.5903371678125886
Energy: 1.7268250270150363
Energy: 1.8326510689341724
Energy: 1.594414943787455
Energy: 1.5917877623656371
Energy: 1.594414943788407
Energy: 1.5932466173413848
Energy: 1.5895028733579664
Energy: 1.589141755913529
Energy: 1.5895028733579664
Energy: 1.919617270438793
Energy: 1.6423121429813103
Energy: 1.592655015826574
Energy: 1.6423121429813103

minimum gb energy = 1.5278463573371093 eV
minimum distance =  2.45710005827662 Angstroms
sigma value = 17


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

Energy: 2.3045355094513553
Energy: 1.7238590405227543
Energy: 1.6078073972314182
Energy: 1.600097836164604
Energy: 1.5964907603270233
Energy: 1.602585214357872
Energy: 1.7783869166929775
Energy: 1.602585214357872
Energy: 1.9033469396518043
Energy: 1.7638438647115806
Energy: 1.7911758852471267
Energy: 1.763843864717464
Energy: 1.9449599931767438
Energy: 1.6058388422190575
Energy: 1.7538447258994345
Energy: 1.6058388422155276
Energy: 1.8180956940430617
Energy: 1.864537794257675
Energy: 2.0055219420085284
Energy: 1.8645377940306913
Energy: 1.5841635148681867
Energy: 1.574389916482812
Energy: 1.5903389098147451
Energy: 1.5743899164822235
Energy: 1.5628699256401035
Energy: 1.5618755770689154
Energy: 1.7504651321482645
Energy: 1.5618755770683272
Energy: 1.5780485532942057
Energy: 1.5829587174689224
Energy: 2.108803953916898
Energy: 1.5829587174742172
Energy: 1.8023836941769698
Energy: 1.8253490137949275
Energy: 1.8785735494491367
Energy: 1.8253490137955157
Energy: 1.7872021843582537
Energy: 1.599008582012083
Energy: 1.765245500705034
Energy: 1.5990085820126716
Energy: 1.598804927318072
Energy: 1.7217535728466358
Energy: 1.6237428693971012
Energy: 1.7217535728425175
Energy: 1.5873952889021077
Energy: 1.6037758513656402
Energy: 1.7918002875986931
Energy: 1.6037758513644638
Energy: 1.5878028420531212
Energy: 1.6575224048915447
Energy: 1.6241461891403832
Energy: 1.6575224048903678
Energy: 1.5951460616867474
Energy: 1.5989033777963082
Energy: 1.6013203668096154
Energy: 1.5989033777898367
Energy: 1.9284666545443372
Energy: 1.5985780125934494
Energy: 1.6096999923334794
Energy: 1.5985780125934494
Energy: 1.571880130639397
Energy: 1.5939654597846074
Energy: 1.596668152197645
Energy: 1.5939654597875488
Energy: 1.5988965131012678
Energy: 1.61134456790795
Energy: 2.0139256148222393
Energy: 1.6113445679091267
Energy: 1.6019984580328652
Energy: 1.6006526284748945
Energy: 1.599616403953648
Energy: 1.6006526285001923
Energy: 1.597754909255653
Energy: 1.5986790639511432
Energy: 1.6270925888764431
Energy: 1.5986790639464366
Energy: 1.7466640502897084
Energy: 1.843547053210265
Energy: 2.0838502999263686
Energy: 1.843547053209088
Energy: 1.782378605774832
Energy: 1.5997349169031234
Energy: 1.5953431627559658
Energy: 1.5997349169031234
Energy: 1.7781058478444587
Energy: 1.6006314009628282
Energy: 1.910377860675648
Energy: 1.600631409347909
Energy: 1.7510483171256495
Energy: 1.5602419150879452
Energy: 1.932607839783655
Energy: 1.5602419150838271
Energy: 2.0170649542696335
Energy: 1.7985744181624583
Energy: 1.8082484448189808
Energy: 1.7985744119131852
Energy: 1.5912334499431011
Energy: 1.5624533824555227
Energy: 1.576412269066126
Energy: 1.5624533824543458
Energy: 1.7710944530929964
Energy: 1.563187472836925
Energy: 1.5668199295921639
Energy: 1.563187472839867
Energy: 2.0972613556865367
Energy: 1.5855507296117048
Energy: 1.5781292708506982
Energy: 1.5855507295858722
Energy: 1.8572032373953633
Energy: 1.7878904643004612
Energy: 1.7996912607592261
Energy: 1.7878904642975193
Energy: 1.7653644682764063
Energy: 1.5988563342586564
Energy: 1.786612529388351
Energy: 1.5988563251384988
Energy: 1.6273238084342785
Energy: 1.7181432240813481
Energy: 1.6012142453859335
Energy: 1.718143224088408
Energy: 1.8236630516146566
Energy: 1.64467881289494
Energy: 1.58806905879785
Energy: 1.6446788128955283
Energy: 1.6547669768268451
Energy: 1.6581794585726588
Energy: 1.588040682767476
Energy: 1.6581794585720708
Energy: 1.5966120102258066
Energy: 1.5968960324143326
Energy: 1.5945813058132259
Energy: 1.5968960324137442
Energy: 1.5972561846180005
Energy: 1.6000264648212004
Energy: 1.9409263914458816
Energy: 1.6000264648223772
Energy: 1.5973392807967588
Energy: 1.6830133178400268
Energy: 1.559933463671515
Energy: 1.6830133178593878
Energy: 2.1324857334522664
Energy: 1.6074327469529124
Energy: 1.6003123775837984
Energy: 1.6074327469535006
Energy: 1.5979987194463783
Energy: 1.5986197696590643
Energy: 1.596954716111281
Energy: 1.5986197696590643
Energy: 1.8729327394955735
Energy: 1.6009929739943551
Energy: 1.657812844269293
Energy: 1.600992973993767

minimum gb energy = 1.559933463671515 eV
minimum distance =  2.43083098042516 Angstroms
sigma value = 89


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

Energy: 2.394769997876509
Energy: 1.6160183118536575
Energy: 1.5066985783940654
Energy: 1.4980168106489233
Energy: 1.686097738081846
Energy: 1.4998239905059314
Energy: 1.6861003739640112
Energy: 1.4998239905059314
Energy: 1.4760590888963063
Energy: 1.6930364234716717
Energy: 1.6857917737586898
Energy: 1.6930364234716717
Energy: 1.4777305611495934
Energy: 1.4972805814371792
Energy: 1.6902800482504134
Energy: 1.497280581438719
Energy: 1.6830054032538264
Energy: 1.500210272856073
Energy: 1.6599101664198725
Energy: 1.500210272856073
Energy: 1.5021210811974666
Energy: 1.4970315667053753
Energy: 1.6557175006359381
Energy: 1.4970315667053753
Energy: 1.496776608941292
Energy: 1.4973094078165394
Energy: 1.6908900171676158
Energy: 1.4973094078165394
Energy: 1.4999313756951762
Energy: 1.4998357398452125
Energy: 1.4801647068536088
Energy: 1.4998357398452125
Energy: 1.5621416519520914
Energy: 1.5033335674132675
Energy: 1.473722947033061
Energy: 1.5033335674101886
Energy: 1.6855333709652314
Energy: 1.6941306116050037
Energy: 1.6862887615467388
Energy: 1.6941306116050037
Energy: 1.6854435038635969
Energy: 1.6912999616496283
Energy: 1.4737217451076365
Energy: 1.6912999616496283
Energy: 1.65657049783018
Energy: 1.5008519745911815
Energy: 1.6862172595385938
Energy: 1.5008519745927207
Energy: 1.6598860317948785
Energy: 1.4975240807394035
Energy: 1.4989791284736977
Energy: 1.4975240807394035
Energy: 1.6859512486232517
Energy: 1.4960391040516152
Energy: 1.4937957602870875
Energy: 1.4960391040516152
Energy: 1.4783054882016395
Energy: 1.4995153197915323
Energy: 1.4989026488897712
Energy: 1.4995153197915323

minimum gb energy = 1.4737217451076365 eV
minimum distance =  2.45310780647344 Angstroms
sigma value = 13


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

Energy: 2.1760821638710364
Energy: 1.4712291161776387
Energy: 1.472114242672674
Energy: 1.471228778341473
Energy: 1.899362723368914
Energy: 1.475441562876289
Energy: 1.6488744371157802
Energy: 1.475441562876289
Energy: 1.4793544900132696
Energy: 1.4698793002441644
Energy: 1.6437151811908461
Energy: 1.469879300243519
Energy: 1.7986993677637975
Energy: 1.4751486516111088
Energy: 1.6492545705525226
Energy: 1.4751486516369166
Energy: 1.6505092175927316
Energy: 1.7205060975680644
Energy: 1.8616699750327135
Energy: 1.7205060975680644
Energy: 1.647522943383543
Energy: 1.4704002444147108
Energy: 1.7181472932958184
Energy: 1.4704002444024522
Energy: 1.6422260526171393
Energy: 1.473319157410276
Energy: 1.9000012561768045
Energy: 1.473319157410276
Energy: 1.6441053623158737
Energy: 1.647391935816279
Energy: 1.6439800577264687
Energy: 1.6473919358201503
Energy: 1.4835426348954956
Energy: 1.4755823545149518
Energy: 1.8911430883763125
Energy: 1.475582354516242
Energy: 1.4712386902028918
Energy: 1.4728033246388983
Energy: 1.898419867832445
Energy: 1.4728033246388983
Energy: 1.4719766759206587
Energy: 1.471675537937667
Energy: 2.178947363160578
Energy: 1.471675537937667
Energy: 1.7237688888481142
Energy: 1.594409927383724
Energy: 1.8980908644589685
Energy: 1.5944099273830787
Energy: 1.740343668611686
Energy: 1.5863089961667782
Energy: 1.716754492442502
Energy: 1.5863089961680685
Energy: 1.9055171610602135
Energy: 1.5848127914313332
Energy: 1.8060284086752088
Energy: 1.5848127914339138
Energy: 1.648842122831137
Energy: 1.761414260073245
Energy: 1.7285963350128735
Energy: 1.7614142600738902
Energy: 1.6795921014998416
Energy: 1.4756857177173996
Energy: 1.4726441328697986
Energy: 1.47568571771869
Energy: 1.9001048412724149
Energy: 1.4731685100630074
Energy: 1.4724788551771408
Energy: 1.4731685100623622
Energy: 1.4919221740446018
Energy: 1.5090355060007163
Energy: 1.4718538703564135
Energy: 1.5090355060013616
Energy: 1.7984042798048765
Energy: 1.4729717786140577
Energy: 1.6694169342798073
Energy: 1.4729717786140577
Energy: 1.650202907752311
Energy: 1.4693613617828472
Energy: 1.645405895724174
Energy: 1.4693613617834922
Energy: 1.7976465055343953
Energy: 1.4790368665387714
Energy: 1.6519890106522914
Energy: 1.4790368665387714
Energy: 1.649290353052358
Energy: 1.7216569442621377
Energy: 1.7167314130255864
Energy: 1.7216569442614924
Energy: 1.6591791640137958
Energy: 1.473151193145974
Energy: 1.7255328427360581
Energy: 1.473151193148555
Energy: 1.483929000108352
Energy: 1.4704226127976068
Energy: 1.9069084134835803
Energy: 1.4704226127969615
Energy: 1.646970695304545
Energy: 1.4794074658340048
Energy: 1.6443570922194486
Energy: 1.4794074658340048
Energy: 1.4766111128105013
Energy: 1.4792324870580764
Energy: 1.643433841915239
Energy: 1.4792324870574314
Energy: 1.4719107631464943
Energy: 1.4721364025842882
Energy: 1.9165368862185896
Energy: 1.4721364025849333
Energy: 1.4722802838361333
Energy: 1.4782708915667475
Energy: 1.4834871796445337
Energy: 1.4782708915661023
Energy: 1.723704106254756
Energy: 1.5962300018433893
Energy: 1.8043971568202117
Energy: 1.596230001842744
Energy: 1.639681109447085
Energy: 1.5921566171482409
Energy: 1.7161201183789894
Energy: 1.5921566171482409
Energy: 1.8989249181025516
Energy: 1.5907423228481772
Energy: 1.802615264122512
Energy: 1.5907423228488227
Energy: 1.6582316565400899
Energy: 1.7482920959951755
Energy: 1.7392992164857735
Energy: 1.7482920959629158
Energy: 1.6535741388024052
Energy: 1.4714745156644742
Energy: 1.4705860621201632
Energy: 1.4714745156644742
Energy: 1.9071727728759318
Energy: 1.4727521006034068
Energy: 1.471652825112157
Energy: 1.4727521006034068
Energy: 1.7954640161712645
Energy: 1.5061067988234835
Energy: 1.502210512378507
Energy: 1.5061067988228383

minimum gb energy = 1.4693613617828472 eV
minimum distance =  2.44523403472744 Angstroms
sigma value = 37


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

Energy: 1.9329011699293335
Energy: 1.526445542439292
Energy: 1.3864610169757157
Energy: 1.3833693087701795
Energy: 1.5979726032044455
Energy: 1.3831715335845467
Energy: 1.6480046494082854
Energy: 1.3831715335823267
Energy: 1.8531506669824227
Energy: 1.3836916680861309
Energy: 1.646378107144359
Energy: 1.3836916680861309
Energy: 1.8478729482722005
Energy: 1.3829533376923973
Energy: 1.6464047945782974
Energy: 1.3829533380142065
Energy: 1.5988403034543595
Energy: 1.8169661776472485
Energy: 1.6285130165964887
Energy: 1.8169661776472485
Energy: 1.5680790003595573
Energy: 1.3841244894715825
Energy: 1.5670322369097307
Energy: 1.3841244894715825
Energy: 1.3693327221481657
Energy: 1.3833331249773404
Energy: 1.5986106249102998
Energy: 1.3833331249784504
Energy: 1.5946686917292672
Energy: 1.6491352917774662
Energy: 1.6274964562367626
Energy: 1.6491352917763562
Energy: 1.3840207009678775
Energy: 1.3830101061966404
Energy: 1.6274882020180472
Energy: 1.3830101061955304
Energy: 1.3830420454199763
Energy: 1.3844405385005851
Energy: 1.5989598893525212
Energy: 1.3844405384994751
Energy: 1.3863210603038358
Energy: 1.526445542439292
Energy: 1.9329011699293335
Energy: 1.5297340651297526
Energy: 1.6480046494105052
Energy: 1.3831715335823267
Energy: 1.783312881734034
Energy: 1.3831715335823267
Energy: 1.646378107143249
Energy: 1.3836916680861309
Energy: 1.8531506669813125
Energy: 1.3836916680861309
Energy: 1.6464047945782974
Energy: 1.382953337190913
Energy: 1.84787294827881
Energy: 1.3829533365495648
Energy: 1.628513016597599
Energy: 1.8169661776472485
Energy: 1.5988403031725618
Energy: 1.8169661776483588
Energy: 1.5670352185539276
Energy: 1.384124489472642
Energy: 1.5680790003595573
Energy: 1.384124489472642
Energy: 1.5986106249069694
Energy: 1.3833331249784504
Energy: 1.3693327221481657
Energy: 1.3833331249773404
Energy: 1.6274807929327835
Energy: 1.6491352917752462
Energy: 1.594668691728157
Energy: 1.6491352917763562
Energy: 1.6274882020768289
Energy: 1.383010106198861
Energy: 1.3840207009689878
Energy: 1.383010106198861
Energy: 1.598959889349191
Energy: 1.3844405384994751
Energy: 1.3830420454210863
Energy: 1.3844405385005851

minimum gb energy = 1.3693327221481657 eV
minimum distance =  2.45126618497032 Angstroms
sigma value = 25


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

Energy: 2.2321383545228612
Energy: 1.4467388562626744
Energy: 1.2783320708141417
Energy: 1.2792329552393629
Energy: 1.7698875126563074
Energy: 1.2796007174862503
Energy: 1.4994610431462707
Energy: 1.2796007174862503
Energy: 1.699627842597405
Energy: 1.2777710066327588
Energy: 1.4948101993367886
Energy: 1.2777710066344923
Energy: 1.6859853314392361
Energy: 1.6458153467738634
Energy: 1.7673468685099922
Energy: 1.6458153468328054
Energy: 1.766929273305997
Energy: 1.4486492145151242
Energy: 1.8184631485505218
Energy: 1.4486492143817171
Energy: 1.693166689772108
Energy: 1.448966693389951
Energy: 1.834243883335256
Energy: 1.448966693389951
Energy: 1.694111428458346
Energy: 1.4487142873441565
Energy: 1.7709070529172515
Energy: 1.4487142873415562
Energy: 1.7657065034307733
Energy: 1.4885686400836726
Energy: 1.8031593328964592
Energy: 1.4885686400836726
Energy: 1.4990813542074937
Energy: 1.277931266175009
Energy: 1.7675201922896622
Energy: 1.2779312661758762
Energy: 1.5000844903854917
Energy: 1.2801971065033084
Energy: 1.7675362858668626
Energy: 1.2801971065033084
Energy: 1.27787396508482
Energy: 1.2778688756279262
Energy: 1.9542598804385276
Energy: 1.2778688756287928
Energy: 1.2781209224688954
Energy: 1.2794343140967595
Energy: 1.765637266852879
Energy: 1.279434314097626
Energy: 1.2768183375485667
Energy: 1.2819593702078427
Energy: 1.6935356464044018
Energy: 1.2819593702087095
Energy: 1.493200148428338
Energy: 1.4950082769915425
Energy: 1.683715224714423
Energy: 1.4950082769846085
Energy: 1.4928718454987402
Energy: 1.2783235636459818
Energy: 1.77123959524262
Energy: 1.278323563644248
Energy: 1.4977269699504028
Energy: 1.2778395722143148
Energy: 1.6950564689585286
Energy: 1.2778395722151814
Energy: 1.769417534950425
Energy: 1.2775482734324488
Energy: 1.6985603383167989
Energy: 1.2775482734324488
Energy: 1.4804196030970287
Energy: 1.2768753748791677
Energy: 1.767598213890887
Energy: 1.2768753748791677
Energy: 1.8227708975623333
Energy: 1.450358886096543
Energy: 1.693466313235056
Energy: 1.450358886096543
Energy: 1.769303731797148
Energy: 1.546231931574208
Energy: 1.6918812224231605
Energy: 1.5462319315759416
Energy: 1.9620367753482257
Energy: 1.2769115966113629
Energy: 1.49604733831656
Energy: 1.2769115966104962
Energy: 1.769346996168819
Energy: 1.2775347130475148
Energy: 1.2755154856135287
Energy: 1.2775347130475148
Energy: 1.755851745088912
Energy: 1.280197403130091
Energy: 1.494343441822037
Energy: 1.280197403130091
Energy: 1.8153125070126044
Energy: 1.2780528174713834
Energy: 1.2774092670790076
Energy: 1.2780528174696502
Energy: 1.7670959522235172
Energy: 1.277972974056634
Energy: 1.2794708698542467
Energy: 1.2779729740575005
Energy: 1.6829249474570793
Energy: 1.2789564599267986
Energy: 1.2766302470707436
Energy: 1.2789564599276653

minimum gb energy = 1.2755154856135287 eV
minimum distance =  2.45224423387326 Angstroms
sigma value = 41


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

Energy: 2.4115195435237786
Energy: 1.3375218822568116
Energy: 1.1888261548169223
Energy: 1.1883947014271827
Energy: 1.8504918544367617
Energy: 1.189109037286554
Energy: 1.3732514533469675
Energy: 1.1891090372858435
Energy: 1.8231488557570088
Energy: 1.1886092129707326
Energy: 1.369016949325914
Energy: 1.1886092129714432
Energy: 1.8140031497444036
Energy: 1.3692383737279645
Energy: 1.6870286461626933
Energy: 1.369238373738624
Energy: 1.8487090670155142
Energy: 1.1873480833580872
Energy: 1.6857844236874948
Energy: 1.1873480833595087
Energy: 1.825531268710482
Energy: 1.1905606543285536
Energy: 1.6917087711717338
Energy: 1.190560654333528
Energy: 1.821353994790503
Energy: 1.3379234042283419
Energy: 1.8492230066988993
Energy: 1.3379234042276313
Energy: 1.8434558878852116
Energy: 1.3302478292656534
Energy: 1.6812785960979877
Energy: 1.3302478292670747
Energy: 1.5343692818251764
Energy: 1.3328226283876403
Energy: 1.9140372933033118
Energy: 1.3328226283649003
Energy: 1.5399399288589175
Energy: 1.1887629967712654
Energy: 1.8489100851423037
Energy: 1.188762996771976
Energy: 1.363965788375208
Energy: 1.1895859046223052
Energy: 1.8995087234843746
Energy: 1.1895859046194628
Energy: 1.3608294592336334
Energy: 1.1890398309431138
Energy: 1.8476985137823025
Energy: 1.1890398309431138
Energy: 1.3642045796039428
Energy: 1.1920862096811866
Energy: 1.8457649527662527
Energy: 1.19208620969036
Energy: 1.1896278265995737
Energy: 1.1888396890844397
Energy: 1.8966717690721149
Energy: 1.1888396890887034
Energy: 1.1897813597763782
Energy: 1.1891007654736263
Energy: 1.8483679212828865
Energy: 1.1891007654722048
Energy: 1.189094766973661
Energy: 1.1952232178009206
Energy: 1.8232696120919074
Energy: 1.1952232178009206
Energy: 1.366865612213361
Energy: 1.3662296009397317
Energy: 1.823592361021738
Energy: 1.366229602339798
Energy: 1.3562624993720223
Energy: 1.1880538460247352
Energy: 1.8490076245796205
Energy: 1.1880538460247352
Energy: 1.3688208316735258
Energy: 1.191994396420702
Energy: 1.8311798193279474
Energy: 1.1919943964185702
Energy: 1.6944828100949545
Energy: 1.1906796575987735
Energy: 1.8227513982099335
Energy: 1.1906796575966416
Energy: 1.729658852876999
Energy: 1.3381806397975082
Energy: 1.9028914764300153
Energy: 1.338180639796087
Energy: 1.6919203781399696
Energy: 1.1877928293430058
Energy: 1.8285021774633619
Energy: 1.18779282935935
Energy: 1.9125029163951863
Energy: 1.330587109088313
Energy: 1.8218530150364989
Energy: 1.3305871090890236
Energy: 1.6815318395981662
Energy: 1.3601954553485207
Energy: 1.6946860856400965
Energy: 1.360195455345678
Energy: 1.852223306160729
Energy: 1.33972711918972
Energy: 1.5138241936648669
Energy: 1.339727119188299
Energy: 1.895660077817984
Energy: 1.3670426009668568
Energy: 1.6939807267568283
Energy: 1.3670426009370105
Energy: 1.896459150978781
Energy: 1.191951313310253
Energy: 1.3655409701220595
Energy: 1.1919513133116741
Energy: 1.8497636020340926
Energy: 1.188026990230382
Energy: 1.3507350844672312
Energy: 1.1880269902289606
Energy: 1.892285436538986
Energy: 1.1973221831042629
Energy: 1.3641323006274204
Energy: 1.197322183107105
Energy: 1.8907574396288562
Energy: 1.1939803129527555
Energy: 1.1898980616129988
Energy: 1.1939803129548874
Energy: 1.8506402978245844
Energy: 1.1902476444155452
Energy: 1.1887279431983417
Energy: 1.1902476444155452
Energy: 1.816088979282417
Energy: 1.1904045570049644
Energy: 1.1871927124424055
Energy: 1.1904045570049644

minimum gb energy = 1.1871927124424055 eV
minimum distance =  2.45074540098765 Angstroms
sigma value = 15


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

Energy: 2.114986707594172
Energy: 1.245276322478157
Energy: 1.1180117202894289
Energy: 1.112139724534407
Energy: 1.901466347806795
Energy: 1.1175140990144685
Energy: 1.2675572270337214
Energy: 1.1175140990144685
Energy: 1.9137131784870896
Energy: 1.1164287358352247
Energy: 1.2683017334765434
Energy: 1.1164287358340208
Energy: 1.9075461752878975
Energy: 1.2657445829661986
Energy: 1.546307206398991
Energy: 1.2657445829655967
Energy: 1.906237251292891
Energy: 1.1132069587706077
Energy: 1.5458081520529958
Energy: 1.1132069587700058
Energy: 1.9101064543573756
Energy: 1.112564730377923
Energy: 1.5541129754793999
Energy: 1.1125647303773207
Energy: 1.676368678399486
Energy: 1.112991570356836
Energy: 1.793262837474745
Energy: 1.1129915703562339
Energy: 1.8952442163228576
Energy: 1.2447889641079148
Energy: 1.5354259531644987
Energy: 1.2447889641091188
Energy: 1.67493167821018
Energy: 1.2359216679385991
Energy: 1.7918082709644299
Energy: 1.235921667939201
Energy: 1.672490782208532
Energy: 1.2445267221078653
Energy: 1.9779937222244937
Energy: 1.2445267221066616
Energy: 1.5516745583051752
Energy: 1.2667313807210252
Energy: 1.788371632094866
Energy: 1.2667313807246372
Energy: 1.3955910920182113
Energy: 1.111659868176764
Energy: 1.9678302429283858
Energy: 1.111659868177968
Energy: 1.5516445457448567
Energy: 1.261693004253116
Energy: 1.970297831215734
Energy: 1.261693004253718
Energy: 1.2499969059714273
Energy: 1.119562394813763
Energy: 1.7859587546542262
Energy: 1.119562394811957
Energy: 1.2518742227117914
Energy: 1.113826525464483
Energy: 1.9120817977347315
Energy: 1.113826525464483
Energy: 1.2491048043158333
Energy: 1.1186674274704456
Energy: 1.956671959038358
Energy: 1.1186674274710473
Energy: 1.1149935697943958
Energy: 1.1234913846494603
Energy: 1.956390996485764
Energy: 1.123491384650062
Energy: 1.1137221255495287
Energy: 1.1153295152052967
Energy: 1.9102571869546772
Energy: 1.1153295152052967
Energy: 1.1142125946129213
Energy: 1.1216232691183956
Energy: 1.9100950620078228
Energy: 1.121623269120804
Energy: 1.251605345057161
Energy: 1.263741349628002
Energy: 1.9105931842669206
Energy: 1.2637413504842672
Energy: 1.247762178190188
Energy: 1.1138561742427229
Energy: 1.904607870390532
Energy: 1.1138561742487425
Energy: 1.2491125346519591
Energy: 1.1181309539622066
Energy: 1.8942782458209202
Energy: 1.1181309539610025
Energy: 1.5611776366415693
Energy: 1.1154381921613126
Energy: 1.8999098128186225
Energy: 1.1154381921613126
Energy: 1.5453247124268452
Energy: 1.1111192504254976
Energy: 1.9961409049845007
Energy: 1.1111192504254976
Energy: 1.5439160415418294
Energy: 1.1183962520658535
Energy: 1.6801280166989627
Energy: 1.1183962520658535
Energy: 1.7952102775996694
Energy: 1.2432299600706298
Energy: 1.9688997781049375
Energy: 1.2432299600688237
Energy: 1.5421159372682651
Energy: 1.2358732789624256
Energy: 1.7926126018855966
Energy: 1.2358732789630276
Energy: 1.7988237731297265
Energy: 1.246490367081815
Energy: 1.6952504741032461
Energy: 1.246490367080611
Energy: 1.8010889805367405
Energy: 1.1122392546285074
Energy: 1.793226124362275
Energy: 1.1122392546285074
Energy: 1.7915429356217896
Energy: 1.1138781938881337
Energy: 1.5473841626377085
Energy: 1.1138781938881337
Energy: 1.9077165462703405
Energy: 1.113571657446851
Energy: 1.3960187639723178
Energy: 1.113571657448055
Energy: 1.7870536329224798
Energy: 1.2709102703620976
Energy: 1.54341123474694
Energy: 1.2709102721558978
Energy: 1.9743046258974195
Energy: 1.1166494903514261
Energy: 1.2698652486620097
Energy: 1.1166494903514261
Energy: 1.964597889531663
Energy: 1.1171604520597171
Energy: 1.2633647740914031
Energy: 1.117160452059115
Energy: 1.96044424481166
Energy: 1.2625323451278974
Energy: 1.2541710635087435
Energy: 1.2625323756881763
Energy: 1.9586800114971137
Energy: 1.1155594342593276
Energy: 1.117435031238455
Energy: 1.1155594342581232
Energy: 1.9077856387040286
Energy: 1.1158883751447943
Energy: 1.1133573631032638
Energy: 1.1158883751442468

minimum gb energy = 1.1111192504254976 eV
minimum distance =  2.45068258944571 Angstroms
sigma value = 85


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

Energy: 2.31603823709655
Energy: 1.1479002100250608
Energy: 1.0307574120880492
Energy: 1.147900210012008
Energy: 1.9553517018629059
Energy: 1.0326435868576767
Energy: 1.147452532332337
Energy: 1.0326435868587207
Energy: 1.9591830360415996
Energy: 1.0312569394994247
Energy: 1.1477112751301632
Energy: 1.0312569394983804
Energy: 1.7868518049183872
Energy: 1.1531927397797883
Energy: 1.4083562266244392
Energy: 1.1531927397897084
Energy: 1.9485364261031657
Energy: 1.088682559246023
Energy: 1.4084500105296505
Energy: 1.0886825592465452
Energy: 1.7914362954100713
Energy: 1.0891279582439723
Energy: 1.4064634539301235
Energy: 1.0891279582439723
Energy: 1.789188135517703
Energy: 1.0309066149838861
Energy: 1.6414703592915636
Energy: 1.0309066149838861
Energy: 1.8520860989173178
Energy: 1.104781578078243
Energy: 1.4679547206896895
Energy: 1.1047815780777208
Energy: 1.7956122589224224
Energy: 1.0320100097228693
Energy: 1.6440034792669487
Energy: 1.0320100097239133
Energy: 1.7957006071474888
Energy: 1.237595349116689
Energy: 1.847149782842044
Energy: 1.237595349116689
Energy: 1.6438584350748258
Energy: 1.027766318684528
Energy: 1.6864136212440464
Energy: 1.0277663186850505
Energy: 1.5802104633454401
Energy: 1.0296984511156042
Energy: 1.8479006576719657
Energy: 1.0296984511161262
Energy: 1.643194449975767
Energy: 1.0286131180736784
Energy: 1.8922330586647103
Energy: 1.0286131180736784
Energy: 1.408141269728592
Energy: 1.0305017483058214
Energy: 1.6831851467716574
Energy: 1.0305017483063434
Energy: 1.330970045604596
Energy: 1.0284169788902882
Energy: 1.9959435658910947
Energy: 1.0284169788923765
Energy: 1.4046571736074405
Energy: 1.2169467300584231
Energy: 1.8854704409658238
Energy: 1.2169467300558126
Energy: 1.160319403597419
Energy: 1.0283022636130958
Energy: 1.8818939274900948
Energy: 1.0283022636136179
Energy: 1.1579257638875522
Energy: 1.0300415023917842
Energy: 1.9357734410910328
Energy: 1.030041502391262
Energy: 1.1592571423592593
Energy: 1.0300166377568116
Energy: 1.882299848434683
Energy: 1.0300166377562894
Energy: 1.0844523466296268
Energy: 1.0287413431334882
Energy: 1.880973207985878
Energy: 1.0287413431360988
Energy: 1.0866725633369152
Energy: 1.0230441988965444
Energy: 1.9364717830524603
Energy: 1.0230441988970664
Energy: 1.0880719727462458
Energy: 1.0842292163019183
Energy: 1.9259038829198385
Energy: 1.084229216300352
Energy: 1.202312076853633
Energy: 1.2045829939866164
Energy: 1.9304937029719575
Energy: 1.2045829939897492
Energy: 1.2014510857924605
Energy: 1.0289558319348806
Energy: 1.9443763491758894
Energy: 1.028955831933836
Energy: 1.203526723118962
Energy: 1.203701377302425
Energy: 1.787196975467466
Energy: 1.2037013773013805
Energy: 1.4128909399245715
Energy: 1.029053343682653
Energy: 1.9703921304304965
Energy: 1.029053343683175
Energy: 1.4117399601665246
Energy: 1.0279508510477855
Energy: 1.9789357753889114
Energy: 1.0279508510477855
Energy: 1.6427942265061033
Energy: 1.0970563676516727
Energy: 1.7907361562064983
Energy: 1.0970563676495841
Energy: 1.6414621605633708
Energy: 1.0283463019196275
Energy: 1.9413590232116482
Energy: 1.0283463019206718
Energy: 1.6415963694267828
Energy: 1.0277507943541004
Energy: 1.794766750367733
Energy: 1.0277507943541004
Energy: 1.8477172481963575
Energy: 1.234647595060439
Energy: 1.5765239489295828
Energy: 1.234647595060961
Energy: 1.686340063314707
Energy: 1.2343263967680227
Energy: 1.840334375680027
Energy: 1.2343263967669786
Energy: 1.8547131658760327
Energy: 1.315453658540646
Energy: 1.5808526282952013
Energy: 1.315453658540646
Energy: 1.9496407229030237
Energy: 1.0306983107417431
Energy: 1.5821071606403991
Energy: 1.0306983107427874
Energy: 1.6830835151514836
Energy: 1.3618257465550139
Energy: 1.6630633363046037
Energy: 1.3618257465560581
Energy: 2.0341655353521153
Energy: 1.0305930561382333
Energy: 1.4076118233995008
Energy: 1.0305930561387555
Energy: 1.886991919716746
Energy: 1.031542588938499
Energy: 1.407015731538631
Energy: 1.031542588938499
Energy: 1.884975115052248
Energy: 1.0874226427057356
Energy: 1.14728130406418
Energy: 1.087422642704169
Energy: 1.9612219059465128
Energy: 1.087383356338707
Energy: 1.1520986249443874
Energy: 1.087383356337663
Energy: 1.8809356439663019
Energy: 1.0879541707936191
Energy: 1.1480642690770326
Energy: 1.087954170792053
Energy: 1.8834230902540734
Energy: 1.0307655458743805
Energy: 1.031844392392209
Energy: 1.030765545873858
Energy: 1.9541772768629848
Energy: 1.0308737479549865
Energy: 1.031428257220273
Energy: 1.0308737479549865
Energy: 1.7853601878542278
Energy: 1.0311210330379503
Energy: 1.031136732405017
Energy: 1.031121033036906

minimum gb energy = 1.0230441988965444 eV
minimum distance =  2.45062456760573 Angstroms
sigma value = 113


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

Energy: 0.02270926256730715
Energy: 0.8943386608329023
Energy: 1.610099836458861
Energy: 0.8943386608329023
Energy: 0.9843447685914056
Energy: 0.28723392631996236
Energy: 0.9844953378111978
Energy: 0.28723392631996236
Energy: 0.02348849034137693
Energy: 0.28394822776941686
Energy: 0.9839540714769935
Energy: 0.28394822776941686
Energy: 0.022871050132708567
Energy: 0.28402912408982023
Energy: 0.9809002427277033
Energy: 0.28402912409022163
Energy: 0.9842547923413705
Energy: 0.2838240405915923
Energy: 0.981309771183185
Energy: 0.2838240405927964
Energy: 0.023209515052771253
Energy: 0.2839528474117853
Energy: 0.9842567875729867
Energy: 0.2839528474117853

minimum gb energy = 0.02270926256730715 eV
minimum distance =  2.65455830699535 Angstroms
sigma value = 1