Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6122690513730054
cohesive_energy=4.26123621847027
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01650336718488782
Energy: 0.017137733062646848
Energy: 0.34094108966974007
Energy: 0.017137733062646848
Energy: 0.017137733062646848
Energy: 1.8722204333692498
Energy: 0.017137733062646848
Energy: 1.872220433369878
Energy: 0.34094108967036835
Energy: 0.017137733062646848
Energy: 0.016503367184259654
Energy: 0.017137733062646848
Energy: 0.017137733062646848
Energy: 1.8722204333692498
Energy: 0.017137733062646848
Energy: 1.872220433369878

minimum gb energy = 0.016503367184259654 eV
minimum distance =  2.52500614931086 Angstroms
sigma value = 1


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

Energy: 1.455666769723527
Energy: 1.4313919310341983
Energy: 0.8919864055071216
Energy: 1.4313919310341983
Energy: 1.0840027514007715
Energy: 1.279510611872942
Energy: 1.1098904450315212
Energy: 1.2795106118737039
Energy: 0.9184211009201291
Energy: 1.3500696008888864
Energy: 1.0931270093698255
Energy: 1.3500696008888864
Energy: 1.0823181253716372
Energy: 1.2748010765495952
Energy: 1.0834372635022085
Energy: 1.2748010765518805
Energy: 1.0567339475390283
Energy: 1.383613506829377
Energy: 1.1598642968055457
Energy: 1.3836135068263293
Energy: 0.9893319679289737
Energy: 1.5906629179236627
Energy: 1.0159139563198303
Energy: 1.5906629179213774
Energy: 1.1069548621739689
Energy: 1.333217654531941
Energy: 1.0628357023409083
Energy: 1.333217654532703
Energy: 0.844259205295363
Energy: 1.4374715616240845
Energy: 1.0019345964014024
Energy: 1.4374715616233227
Energy: 1.0823788436870019
Energy: 1.5580451955662034
Energy: 1.0736561350551892
Energy: 1.5580451955669652
Energy: 0.9841310377385709
Energy: 1.3484121751693219
Energy: 0.8115228464621109
Energy: 1.3484121751693219
Energy: 1.0726943851255093
Energy: 1.2534585333674249
Energy: 1.0826741645946738
Energy: 1.2534585333659012
Energy: 0.9874241074453677
Energy: 1.4052763059113733
Energy: 1.094407480941431
Energy: 1.4052763059113733
Energy: 1.1087578150768511
Energy: 1.3100485310800345
Energy: 1.1072081317279636
Energy: 1.3100485310800345
Energy: 1.0888746075881857
Energy: 1.3878500243707168
Energy: 1.0379816059850089
Energy: 1.3878500243707168
Energy: 1.0581739319171077
Energy: 1.4150487961724278
Energy: 1.0847530208423588
Energy: 1.415048796171666
Energy: 1.0584815434616395
Energy: 1.4379536168149327
Energy: 1.0914079247425799
Energy: 1.4379536168134093
Energy: 1.0919757104956376
Energy: 1.3171215219576047
Energy: 0.9320754435074902
Energy: 1.3171215219568428
Energy: 1.110349741556277
Energy: 1.2132536168417234
Energy: 1.1034912034732678
Energy: 1.2132536168409616
Energy: 0.789135395637277
Energy: 1.3671577053840263
Energy: 1.130697379762112
Energy: 1.367157705384788
Energy: 1.1026863659607304
Energy: 1.4813588327032705
Energy: 1.084069293090135
Energy: 1.4813588327055558
Energy: 1.0043987530040026
Energy: 1.351509605253818
Energy: 0.810253512137395
Energy: 1.3515096052530562
Energy: 1.082970209669042
Energy: 1.0944413921451455
Energy: 1.0789002322041306
Energy: 1.0944413921390508
Energy: 1.157923355818834
Energy: 1.3827225056752566
Energy: 1.0385730588546471
Energy: 1.3827225056767802
Energy: 1.017594206968929
Energy: 1.3320627637355997
Energy: 1.0614413229190234
Energy: 1.3320627637355997
Energy: 1.06133309894298
Energy: 1.2319793922851285
Energy: 1.1070075823551075
Energy: 1.2319793922843665
Energy: 1.054610302071919
Energy: 1.4399099113966969
Energy: 0.966000234072259
Energy: 1.4399099113974587
Energy: 1.0816746778042736
Energy: 1.2754376065278237
Energy: 1.0820327172059794
Energy: 1.2754376065293471
Energy: 0.9076545969386854
Energy: 1.3168307611471022
Energy: 1.2785842294714675
Energy: 1.3168307611455785
Energy: 1.0827272124732965
Energy: 1.3940659406282288
Energy: 1.0621480103709044
Energy: 1.394065940627467
Energy: 1.307943535201041
Energy: 1.401518256322728
Energy: 0.8765567565245808
Energy: 1.4015182563250137
Energy: 1.08785176972929
Energy: 1.351787532964589
Energy: 1.108720126408512
Energy: 1.3517875329630653
Energy: 1.0270135217668206
Energy: 1.3531870248543043
Energy: 1.0879855776989822
Energy: 1.3531870248550664
Energy: 1.0526827224369364
Energy: 1.3798488569835705
Energy: 1.0852352612246832
Energy: 1.3798488569828087

minimum gb energy = 0.789135395637277 eV
minimum distance =  2.20537769908385 Angstroms
sigma value = 1


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

Energy: 1.5878944522817626
Energy: 1.5355712650726638
Energy: 0.9571123415967714
Energy: 1.5355712650735323
Energy: 1.1590830814195627
Energy: 1.3782415485270136
Energy: 1.1704339044437624
Energy: 1.3782415485270136
Energy: 1.0298549130080201
Energy: 1.5119364107049866
Energy: 1.2695053451810856
Energy: 1.511936410704118
Energy: 1.125805575097112
Energy: 1.3410721685232847
Energy: 1.041431858369499
Energy: 1.3410721685232847
Energy: 1.1191668928672378
Energy: 1.4627360300396055
Energy: 1.0918562189524474
Energy: 1.4627360300387369
Energy: 1.1152948698935519
Energy: 1.4646656664997975
Energy: 1.060071722275145
Energy: 1.4646656664997975
Energy: 1.155527399419964
Energy: 1.5103538999062658
Energy: 1.096126943963364
Energy: 1.5103538999062658
Energy: 0.8887125945887143
Energy: 1.5119996117484378
Energy: 1.0458726185250955
Energy: 1.511999611747569
Energy: 1.162699699518777
Energy: 1.5753359558664106
Energy: 1.1892787505450038
Energy: 1.5753359558681477
Energy: 1.0828170250811786
Energy: 1.5120036436811894
Energy: 0.8933836225844894
Energy: 1.5120036436811894
Energy: 1.1542245002421134
Energy: 1.3263498672141258
Energy: 1.1708843611321742
Energy: 1.3263498672132574
Energy: 1.0264786544057793
Energy: 1.5197889768699535
Energy: 1.269561983198123
Energy: 1.5197889768699535
Energy: 1.2071562078843532
Energy: 1.5179566923481167
Energy: 1.112660417484905
Energy: 1.5179566923489853
Energy: 1.2071343103676633
Energy: 1.4774340476908325
Energy: 1.13370010010834
Energy: 1.4774340476917012
Energy: 1.026149961438766
Energy: 1.5200385826134595
Energy: 1.2693923081062797
Energy: 1.5200385826134595
Energy: 1.124017105919992
Energy: 1.3269420420072053
Energy: 1.1712410035787375
Energy: 1.3269420420063365
Energy: 1.0892881543343969
Energy: 1.5119534233457665
Energy: 0.8570610501897467
Energy: 1.5119534233457665
Energy: 1.1627493438825103
Energy: 1.5757547231091449
Energy: 1.189253212243948
Energy: 1.5757547231039328
Energy: 0.8886368725152237
Energy: 1.5121997984883917
Energy: 1.0736014491536217
Energy: 1.512199798487523
Energy: 1.1555938409066102
Energy: 1.5104001696032807
Energy: 1.0416813538622027
Energy: 1.5104001696041496
Energy: 1.1403068721190948
Energy: 1.457733468940206
Energy: 1.1526899093330094
Energy: 1.4577334689410741
Energy: 1.139842553612376
Energy: 1.4580095321870785
Energy: 1.0922775520449868
Energy: 1.4580095321879472
Energy: 1.1259574012994271
Energy: 1.3411320154909705
Energy: 1.1715854667560226
Energy: 1.3411320154909705
Energy: 1.0288548995654194
Energy: 1.5123603065590772
Energy: 1.2697500386793867
Energy: 1.5123603065590772
Energy: 1.1588142226702207
Energy: 1.377832963589846
Energy: 1.1704225928948142
Energy: 1.377832963589846
Energy: 1.5878944522808938
Energy: 1.5355712650726638
Energy: 0.8791956457944927
Energy: 1.535571265074401
Energy: 1.1590830814204311
Energy: 1.3782415485252764
Energy: 1.170433904444631
Energy: 1.378241548526145
Energy: 1.0298549130080201
Energy: 1.5119364107032491
Energy: 1.269505345180217
Energy: 1.5119364107049866
Energy: 1.125805575097112
Energy: 1.3410721685232847
Energy: 1.041431858371236
Energy: 1.3410721685232847

minimum gb energy = 0.8570610501897467 eV
minimum distance =  2.25902957426816 Angstroms
sigma value = 25


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

Energy: 1.5555362529267913
Energy: 1.645208891801526
Energy: 1.001781452164472
Energy: 1.6452088918025356
Energy: 1.279547276186943
Energy: 1.474233644635909
Energy: 1.350383798635383
Energy: 1.4742336446369189
Energy: 1.1448338408697794
Energy: 1.7140589868632554
Energy: 1.284175102529273
Energy: 1.7140589868632554
Energy: 1.2410708587972914
Energy: 1.5681505346870637
Energy: 1.1748954546338621
Energy: 1.5681505346870637
Energy: 1.2656263379729518
Energy: 1.650624198955211
Energy: 1.185736578131194
Energy: 1.650624198955211
Energy: 1.252061889123064
Energy: 1.710170800418002
Energy: 1.2826894707137533
Energy: 1.710170800416992
Energy: 1.3491778090124613
Energy: 1.357382686400766
Energy: 1.2299682377080328
Energy: 1.3573826863997565
Energy: 1.037514004191688
Energy: 1.6791179754304477
Energy: 1.1011360769889222
Energy: 1.6791179754314576
Energy: 1.32227519035843
Energy: 1.4290702529615715
Energy: 1.349678960085182
Energy: 1.4290702529625812
Energy: 1.3443813798540585
Energy: 1.7146703217188561
Energy: 1.2036470110817834
Energy: 1.7146703217178465
Energy: 1.2051726003370196
Energy: 1.632676792015305
Energy: 1.305142603004475
Energy: 1.632676792014295
Energy: 1.1902281565851578
Energy: 1.6204293436884931
Energy: 1.2752728525584163
Energy: 1.6204293436895028
Energy: 1.2801576413808018
Energy: 1.6962475212427248
Energy: 1.1455188255475122
Energy: 1.696247521240705
Energy: 1.3395285395829681
Energy: 1.4213930934190424
Energy: 1.3131552534348847
Energy: 1.421393093420052
Energy: 0.971982069279786
Energy: 1.6761561009285106
Energy: 1.1557709756056709
Energy: 1.6761561009285106
Energy: 1.337239523038742
Energy: 1.9507952418150472
Energy: 1.2795409803330997
Energy: 1.9507952418150472
Energy: 1.0353147501656683
Energy: 1.7164221153215957
Energy: 1.0975903693222124
Energy: 1.7164221153215957
Energy: 1.1626789798393375
Energy: 1.5006989685279069
Energy: 1.2157976748098325
Energy: 1.5006989685279069
Energy: 1.2132602756528497
Energy: 1.6328142269472834
Energy: 1.1655239097038972
Energy: 1.6328142269482935
Energy: 1.2489205545511852
Energy: 1.7161044611373022
Energy: 1.281000778231321
Energy: 1.7161044611393215
Energy: 1.3399414217923569
Energy: 1.3609947953990216
Energy: 1.3323562687338628
Energy: 1.360994795232505
Energy: 1.4410565353027518
Energy: 1.589757532669868
Energy: 1.0697535192031595
Energy: 1.589757532669868
Energy: 1.3178887390953307
Energy: 1.4401562634556768
Energy: 1.3530510383999708
Energy: 1.4401562634566865
Energy: 1.082364875397312
Energy: 1.711415867187313
Energy: 1.345566520441852
Energy: 1.711415867186303
Energy: 1.322176342445702
Energy: 1.568693816260667
Energy: 1.2788039048846231
Energy: 1.5686938162586475

minimum gb energy = 0.971982069279786 eV
minimum distance =  2.19855250704334 Angstroms
sigma value = 9


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

Energy: 1.5767606290059815
Energy: 1.7515823331420148
Energy: 1.056445041549288
Energy: 1.7515823331420148
Energy: 1.5141536229092825
Energy: 1.6484342783756931
Energy: 1.4469720960795658
Energy: 1.6484342783756931
Energy: 1.2102356550068938
Energy: 1.757793015556611
Energy: 1.370223129057212
Energy: 1.757793015557788
Energy: 1.4599916407242859
Energy: 1.6554268343254124
Energy: 1.3389183733989583
Energy: 1.655426834326617
Energy: 1.4748196280806571
Energy: 1.6410276475466539
Energy: 1.4135671353475208
Energy: 1.6410276475466539
Energy: 1.1301024023774262
Energy: 1.7969645550928686
Energy: 1.2929873038285753
Energy: 1.7969645550928686
Energy: 1.4926370360532621
Energy: 1.592676122425952
Energy: 1.4507613609626218
Energy: 1.592676122423543
Energy: 1.2117211646688657
Energy: 1.7962359105134478
Energy: 1.2199176006031405
Energy: 1.7962359105134478
Energy: 1.5126252083186331
Energy: 1.6220263521510898
Energy: 1.3986279133433281
Energy: 1.6220263521510898
Energy: 1.4790003963021203
Energy: 1.7888436612708027
Energy: 1.2936040322138131
Energy: 1.7888436612708027
Energy: 1.3315544817903606
Energy: 1.689879618101415
Energy: 1.3254530157611473
Energy: 1.689879618101415
Energy: 1.459972733712503
Energy: 1.5944196863058737
Energy: 1.4480967964745022
Energy: 1.5944196863070783
Energy: 1.1297054787050378
Energy: 1.7576932813810529
Energy: 1.068619950416094
Energy: 1.7576932813810529
Energy: 1.5313249163784524
Energy: 2.3872502844628136
Energy: 1.3890058093594584
Energy: 2.3872502844628136
Energy: 1.129515977247625
Energy: 1.7577888590303277
Energy: 1.221551830269923
Energy: 1.7577888588220212
Energy: 1.4694945672433561
Energy: 1.5942856396992204
Energy: 1.4488380292553722
Energy: 1.5942856397004248
Energy: 1.3314567703562765
Energy: 1.6903279671454678
Energy: 1.3647927810944904
Energy: 1.6903279671466724
Energy: 1.4818115509881802
Energy: 1.7898666931794442
Energy: 1.2937601250922837
Energy: 1.7898666931782399
Energy: 1.5054448377150358
Energy: 1.6215541551064458
Energy: 1.3976793495461544
Energy: 1.621554155108855
Energy: 1.2119125853736206
Energy: 1.7967791088288019
Energy: 1.2206602557651611
Energy: 1.7967791088300062
Energy: 1.5016654766395623
Energy: 1.5845504566441397
Energy: 1.450739854081878
Energy: 1.584550456646549

minimum gb energy = 1.056445041549288 eV
minimum distance =  2.26526992655661 Angstroms
sigma value = 25


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

Energy: 1.3561246945798031
Energy: 1.914970655844558
Energy: 1.2861839284598722
Energy: 1.9149706558460475
Energy: 1.487845404936036
Energy: 1.728892612628894
Energy: 1.2772853071892476
Energy: 1.7288926126303839
Energy: 1.4184259605844276
Energy: 1.9953544878113654
Energy: 1.2781454502958696
Energy: 1.995354487809876
Energy: 1.469952315524388
Energy: 1.789143178038109
Energy: 1.525970950728864
Energy: 1.789143178038109
Energy: 1.4227602809572715
Energy: 1.3164360045537684
Energy: 1.4308008717699772
Energy: 1.3164360045522787
Energy: 1.2808716231090482
Energy: 1.9146627980386828
Energy: 1.3152872118286407
Energy: 1.9146627980386828
Energy: 1.4490150819323322
Energy: 1.5887227250585632
Energy: 1.3292408017825974
Energy: 1.5887227250585632
Energy: 1.3885834599362268
Energy: 1.9556435055450307
Energy: 1.3533133263375055
Energy: 1.9556435055435413
Energy: 1.2782224404282096
Energy: 1.692888462795129
Energy: 1.4885858489751542
Energy: 1.692888462795129
Energy: 1.6605883218381183
Energy: 1.8971839786523323
Energy: 1.4163930259973496
Energy: 1.8971839786523323
Energy: 1.2459279601747648
Energy: 1.885713502297618
Energy: 1.5512158127512996
Energy: 1.885713502297618
Energy: 1.4026555692012619
Energy: 2.0867648322561867
Energy: 1.5094318280315857
Energy: 2.0867648322561867
Energy: 1.3854451486274895
Energy: 1.8317900335012403
Energy: 1.2783207502010279
Energy: 1.8317900335012403
Energy: 1.4029657738633594
Energy: 1.617879864780586
Energy: 1.3946900863298808
Energy: 1.6178798647820756
Energy: 1.5116904546164183
Energy: 1.860861154543269
Energy: 1.3101652871880807
Energy: 1.860861154543269
Energy: 1.4874822468754736
Energy: 1.830940548908977
Energy: 1.28090352628496
Energy: 1.830940548908977
Energy: 1.401780145755394
Energy: 1.57705215736454
Energy: 1.6595901985784938
Energy: 1.57705215736454

minimum gb energy = 1.2459279601747648 eV
minimum distance =  2.32612582218158 Angstroms
sigma value = 17


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

Energy: 1.6470659985186826
Energy: 1.646369161746026
Energy: 1.4266223389570083
Energy: 1.646369161746026
Energy: 1.4448411242989339
Energy: 1.472287390321757
Energy: 1.4199114867911444
Energy: 1.4722873903226006
Energy: 1.4472878457907639
Energy: 1.7789755070584732
Energy: 1.336463894971315
Energy: 1.7789755070593167
Energy: 1.3552521965017243
Energy: 1.6227252090013182
Energy: 1.4674372345363655
Energy: 1.6227252090030058
Energy: 1.479906778087232
Energy: 1.641820962233042
Energy: 1.442658273415257
Energy: 1.641820962234729
Energy: 1.3730220585680781
Energy: 1.5603625814709163
Energy: 1.3779981107973422
Energy: 1.5603626284192236
Energy: 1.353856124482923
Energy: 1.5190976828868723
Energy: 1.424213262200291
Energy: 1.519097682887716
Energy: 1.3289483908793422
Energy: 1.6629272540692106
Energy: 1.3688819764850786
Energy: 1.6629272540953262
Energy: 1.394599868888648
Energy: 1.7523401848182083
Energy: 1.5733463997927044
Energy: 1.7523401848915698
Energy: 1.4992237701146536
Energy: 1.5199411602551087
Energy: 1.3593632028513996
Energy: 1.519941160256796
Energy: 1.340412417663901
Energy: 1.6672922432960646
Energy: 1.4078596288747565
Energy: 1.6672922432943773
Energy: 1.4574760042648065
Energy: 1.501983372954083
Energy: 1.4577707312386443
Energy: 1.5019833729566139
Energy: 1.4998569816520422
Energy: 1.5842707066761132
Energy: 1.6515877004036763
Energy: 1.5842707066778008
Energy: 1.333975531463392
Energy: 1.8146545846074829
Energy: 1.5279369531713076
Energy: 1.8146545846091702
Energy: 1.558782000384537
Energy: 1.5224751003309778
Energy: 1.4720534493991086
Energy: 1.5224751003318213
Energy: 1.4228081251583946
Energy: 1.7613408209500816
Energy: 1.312520861380137
Energy: 1.7613408209509251
Energy: 1.423608637354427
Energy: 1.6616413417975862
Energy: 1.6398663623328684
Energy: 1.6616413417967426
Energy: 1.4748447876338493
Energy: 1.558127724956431
Energy: 1.3729412377193448
Energy: 1.558127724956431
Energy: 1.4620870550009706
Energy: 1.6126474963208124
Energy: 1.5137168521788185
Energy: 1.6126474963208124
Energy: 1.4624465513156355
Energy: 1.621729323064092
Energy: 1.3539510597847488
Energy: 1.6217293230615608
Energy: 1.3699984685560906
Energy: 1.778983581332273
Energy: 1.5060968306793414
Energy: 1.7789835813314292
Energy: 1.4410819995821986
Energy: 1.9489353985448175
Energy: 1.528209088968324
Energy: 1.9489353985456612
Energy: 1.359923930698145
Energy: 1.7854718317800098
Energy: 1.3349317737288857
Energy: 1.7854718317808538
Energy: 1.5520892009511744
Energy: 1.6123474153448576
Energy: 1.5595887175040735
Energy: 1.6123474153473887
Energy: 1.5546700815718228
Energy: 1.78826922098996
Energy: 1.4314129480835713
Energy: 1.7882692209891167
Energy: 1.483976407646231
Energy: 1.7835161535822872
Energy: 1.336482717836564
Energy: 1.7835161535831308
Energy: 1.4420680311605036
Energy: 1.7764137815968755
Energy: 1.6252034329716045
Energy: 1.7764137815985628
Energy: 1.3502149870268783
Energy: 1.5408716337818025
Energy: 1.4203282989722006
Energy: 1.5408716337834902
Energy: 1.5590417066065074
Energy: 1.6127586641639289
Energy: 1.3930777206114724
Energy: 1.6127586641639289
Energy: 1.3691274551814911
Energy: 1.571440560451272
Energy: 1.4336054904281141
Energy: 1.5714405603618806

minimum gb energy = 1.312520861380137 eV
minimum distance =  2.28698887980612 Angstroms
sigma value = 53


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

Energy: 1.3766672525468182
Energy: 1.3751695766909395
Energy: 1.500441986434238
Energy: 1.3751695766909395
Energy: 1.6235058314972257
Energy: 1.4137453007200405
Energy: 1.288360402441691
Energy: 1.4137453007200405
Energy: 1.356571329704681
Energy: 1.652430665993176
Energy: 1.2936695545493202
Energy: 1.652430665993176
Energy: 1.3729203604695095
Energy: 1.6522061689456506
Energy: 1.2884397101425311
Energy: 1.6522061689456506
Energy: 1.6216800194545848
Energy: 1.4136460211159751
Energy: 1.2880773865413975
Energy: 1.4136460211159751
Energy: 1.3766672525468182
Energy: 1.3751695766909395
Energy: 1.4601488989511229
Energy: 1.3751695766909395
Energy: 1.6235058314972257
Energy: 1.413745300721983
Energy: 1.288360402441691
Energy: 1.413745300721983
Energy: 1.356571329706623
Energy: 1.652430665993176
Energy: 1.2936695545493202
Energy: 1.652430665993176
Energy: 1.372920360471452
Energy: 1.6522061689456506
Energy: 1.4061922658179336
Energy: 1.6522061689456506
Energy: 1.6216800194584693
Energy: 1.4136460211159751
Energy: 1.2880773865433397
Energy: 1.4136460211140331
Energy: 1.3766672525468182
Energy: 1.3751695766909395
Energy: 1.4199960776695841
Energy: 1.3751695766909395
Energy: 1.6235058314972257
Energy: 1.413745300721983
Energy: 1.288360402441691
Energy: 1.4137453007200405
Energy: 1.356571329706623
Energy: 1.652430665993176
Energy: 1.2936695545493202
Energy: 1.652430665993176

minimum gb energy = 1.2880773865413975 eV
minimum distance =  2.28340925116618 Angstroms
sigma value = 9


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

Energy: 1.5099849104152137
Energy: 1.876932875522824
Energy: 1.6159396841697342
Energy: 1.876932875524262
Energy: 1.4934691532195261
Energy: 1.4858883832966285
Energy: 1.4543135734157415
Energy: 1.4858883832966285
Energy: 1.3781842763058114
Energy: 1.7647389931061201
Energy: 1.3839181337078887
Energy: 1.7647389931046826
Energy: 1.4475997657747355
Energy: 1.7552303773594262
Energy: 1.3843229233536676
Energy: 1.7552303773594262
Energy: 1.6103824433937688
Energy: 1.5643633261053678
Energy: 1.3572555506155999
Energy: 1.5643633261032113
Energy: 1.486130465640202
Energy: 1.4840007665832111
Energy: 1.3849306632623075
Energy: 1.4840007665824921
Energy: 1.7314691904631814
Energy: 1.7572176735214782
Energy: 1.467287132621771
Energy: 1.7572176735221972
Energy: 1.397147874303
Energy: 1.845844212049091
Energy: 1.5041339505190419
Energy: 1.845844212044059
Energy: 1.3620420319952682
Energy: 1.7334443017901127
Energy: 1.4835747379120252
Energy: 1.7334443017886747
Energy: 1.354481100157091
Energy: 1.5003842403986447
Energy: 1.4481874446150316
Energy: 1.500384240396488
Energy: 1.3861818223404803
Energy: 1.8740569209048
Energy: 1.4989500683125183
Energy: 1.8740569209062377
Energy: 1.5422826896535051
Energy: 2.0574706367585565
Energy: 1.3797310221161425
Energy: 2.057470636757119
Energy: 1.3654921418099646
Energy: 1.9262861318398277
Energy: 1.5954823330224297
Energy: 1.9262861318398277
Energy: 1.4338376688573098
Energy: 1.7986461014530641
Energy: 1.5162828710871898
Energy: 1.798646101453783
Energy: 1.3763793802548834
Energy: 1.5888768367752084
Energy: 1.472329449100463
Energy: 1.588876836771614
Energy: 1.3691246672077757
Energy: 1.834181397003727
Energy: 1.3820335188715887
Energy: 1.834181397003727
Energy: 1.4452708964546825
Energy: 1.5972551014649286
Energy: 1.37621876323476
Energy: 1.5972551014656475
Energy: 1.4618689056350214
Energy: 1.5677650059210362
Energy: 1.4896858494278384
Energy: 1.5677650059203174
Energy: 1.5244982485242948
Energy: 1.706404283016866
Energy: 1.488879868079305
Energy: 1.7064042830218982
Energy: 1.3552784385383772
Energy: 1.523847113199472
Energy: 1.471505262823491
Energy: 1.5238471131973153
Energy: 1.4905657584009255
Energy: 1.9222633062382317
Energy: 1.492240954558116
Energy: 1.9222633062403882
Energy: 1.4655284909019384
Energy: 1.5490258995772959
Energy: 1.3538758530930393
Energy: 1.5490258995751394
Energy: 1.4832680963379712
Energy: 1.7429682544210292
Energy: 1.360277988467429
Energy: 1.7429682544210292
Energy: 1.5782779807259752
Energy: 1.9193723671144454
Energy: 1.3835179818037675
Energy: 1.9193723671158176
Energy: 1.430235491677521
Energy: 1.8336977710779976
Energy: 1.6816610195439152
Energy: 1.8336977710492426
Energy: 1.3404148950293164
Energy: 1.6966321191427622
Energy: 1.3633817071467293
Energy: 1.6966321191398865
Energy: 1.5680475160041538
Energy: 1.7598524500521147
Energy: 1.4448607947965142
Energy: 1.7598524500521147
Energy: 1.506536363435665
Energy: 1.7555287700847193
Energy: 1.447932680558916
Energy: 1.755528770086157
Energy: 1.454014613751733
Energy: 1.6974809732439944
Energy: 1.3627120273005018
Energy: 1.6974809732447134
Energy: 1.454650794390522
Energy: 1.8831489547571607
Energy: 1.7445736725167307
Energy: 1.883148954756442
Energy: 1.3954987793183646
Energy: 1.9223906109290465
Energy: 1.3826291042030876
Energy: 1.9223906109297653
Energy: 1.4878747609987941
Energy: 1.5014594726204185
Energy: 1.3590622812668223
Energy: 1.5014594726211372
Energy: 1.447262637175087
Energy: 1.550365071394282
Energy: 1.3560467821254996
Energy: 1.5503650713935635
Energy: 1.5076598874685627
Energy: 1.8986208751940845
Energy: 1.3349477290561034
Energy: 1.8986208751969602
Energy: 1.3581255520316078
Energy: 1.6291387815259177
Energy: 1.734749376040808
Energy: 1.6291387815273557

minimum gb energy = 1.3349477290561034 eV
minimum distance =  2.29989827220137 Angstroms
sigma value = 73


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

Energy: 1.6544058402761497
Energy: 1.7087217072280079
Energy: 1.5964656519926672
Energy: 1.7087217072280079
Energy: 1.647581102083904
Energy: 1.8488908921641773
Energy: 1.511812894928954
Energy: 1.8488908921641773
Energy: 1.4520446421788828
Energy: 1.7681294107319911
Energy: 1.5163011038486183
Energy: 1.7681294107331318
Energy: 1.3159116712878784
Energy: 1.7964728091753772
Energy: 1.4816996073299968
Energy: 1.7964728091730962
Energy: 1.4156647267790445
Energy: 1.5993099686347314
Energy: 1.3636618585123044
Energy: 1.599309968633591
Energy: 1.422893789951455
Energy: 1.8514616607323149
Energy: 1.4234794411620015
Energy: 1.8514616607220762
Energy: 1.6860753552631367
Energy: 1.63713288505224
Energy: 1.3745206828719048
Energy: 1.6371328850533806
Energy: 1.3670437793003347
Energy: 1.8000539599913048
Energy: 1.5806978474259694
Energy: 1.8000539599924454
Energy: 1.4831710128639075
Energy: 1.5169743747167341
Energy: 1.5209016600167367
Energy: 1.5169743747167341
Energy: 1.3729510339931665
Energy: 1.493351169713543
Energy: 1.376803745785403
Energy: 1.493351169713543
Energy: 1.3644801602223224
Energy: 1.6954431701678374
Energy: 1.496847857497593
Energy: 1.6954431701735402
Energy: 1.452411117414999
Energy: 1.7837242294043272
Energy: 1.3175833842333895
Energy: 1.7837242294031865
Energy: 1.5302560481750669
Energy: 1.6015678572514194
Energy: 1.6506523326193094
Energy: 1.6015678572502785
Energy: 1.454143250719488
Energy: 1.7422898650096736
Energy: 1.4226639364754774
Energy: 1.742289865010814
Energy: 1.4191832863663043
Energy: 1.6604259913580501
Energy: 1.6303727566015846
Energy: 1.6604259913569095
Energy: 1.392855043802336
Energy: 1.8587993727185992
Energy: 1.3670802633306274
Energy: 1.8587993727185992
Energy: 1.517796868463558
Energy: 1.8252300691024994
Energy: 1.3740226120825743
Energy: 1.82523006910364
Energy: 1.6036744734908477
Energy: 1.766106601479497
Energy: 1.3719043199909502
Energy: 1.766106601480638
Energy: 1.4078505735060667
Energy: 1.6974887368871858
Energy: 1.3659974713628942
Energy: 1.6974887368883262
Energy: 1.4625001354144926
Energy: 1.8758651101264259
Energy: 1.768602106970792
Energy: 1.8758651101264259
Energy: 1.4634758434963704
Energy: 1.8473908045051857
Energy: 1.4255742888053995
Energy: 1.8473908045040448
Energy: 1.4293130654927566
Energy: 1.649665523147473
Energy: 1.4700899330347448
Energy: 1.649665523147473

minimum gb energy = 1.3159116712878784 eV
minimum distance =  2.29165692189398 Angstroms
sigma value = 7


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

Energy: 1.560895958617186
Energy: 1.558687373553541
Energy: 1.6580381797906136
Energy: 1.558687373553541
Energy: 1.6704189011403803
Energy: 1.7490244045313732
Energy: 1.4396565987419545
Energy: 1.7490244045297603
Energy: 1.4939975521889493
Energy: 1.810412016085714
Energy: 1.3879370763314938
Energy: 1.810412016085714
Energy: 1.3658178948734172
Energy: 1.659570864298582
Energy: 1.4267094276417722
Energy: 1.659570864301808
Energy: 1.4849024218864944
Energy: 1.5652246988657161
Energy: 1.4415369790311303
Energy: 1.5652246988657161
Energy: 1.4016470851178526
Energy: 1.862183735228826
Energy: 1.43353407751939
Energy: 1.862183735230439
Energy: 1.4950935876609746
Energy: 2.0056990489525033
Energy: 1.3720118530030943
Energy: 2.005699048950084
Energy: 1.4901490729839069
Energy: 1.5726900212205528
Energy: 1.7228735767474999
Energy: 1.5726900212294246
Energy: 1.4742011837090698
Energy: 1.7235659322050787
Energy: 1.5178403360141046
Energy: 1.7235659322050787
Energy: 1.3710102209667399
Energy: 1.610999122039303
Energy: 1.4635994962703425
Energy: 1.610999122039303
Energy: 1.3638570578010143
Energy: 1.843524278116733
Energy: 1.3868963568081432
Energy: 1.84352427811512
Energy: 1.53424408238242
Energy: 1.5647317766064868
Energy: 1.3734788996803058
Energy: 1.5647317766032607
Energy: 1.51817003461097
Energy: 1.4738505268536402
Energy: 1.4466378214336684
Energy: 1.4738505268173479
Energy: 1.3257203098929908
Energy: 1.805366896674014
Energy: 1.3122513127793207
Energy: 1.805366896674014
Energy: 1.3740873823981268
Energy: 1.483155775390466
Energy: 1.7529128872300557
Energy: 1.483155775390466
Energy: 1.6439048397264269
Energy: 1.5331750912670083
Energy: 1.4298485003153858
Energy: 1.5331750912670083
Energy: 1.3766785239491048
Energy: 1.5379089903783942
Energy: 1.493676372160296
Energy: 1.5379089903783942
Energy: 1.4525296892218034
Energy: 1.5632606166783376
Energy: 1.3734598767105273
Energy: 1.5632606166831766
Energy: 1.376151413938159
Energy: 1.8241535163343736
Energy: 1.3883829776942298
Energy: 1.8241535163343736
Energy: 1.4151155585024864
Energy: 1.5654557438564192
Energy: 1.3735241050634566
Energy: 1.5654557438548062
Energy: 1.286301824988088
Energy: 2.0971429582295653
Energy: 1.5177800564213515
Energy: 2.0971429582295653
Energy: 1.3841754001972912
Energy: 1.8078535197187706
Energy: 1.526703816009684
Energy: 1.8078535197171943
Energy: 1.4984304476988481
Energy: 1.7398391792945824
Energy: 1.3866141247513484
Energy: 1.7398391793195838
Energy: 1.5643787351122773
Energy: 1.5600641041811283
Energy: 1.4730009458997557
Energy: 1.5600641041811283
Energy: 1.4284454283217343
Energy: 1.564084191867879
Energy: 1.3717703960986158
Energy: 1.5640841918702986
Energy: 1.291695108527392
Energy: 1.8112132187582728
Energy: 1.383812610464697
Energy: 1.8112132187590795
Energy: 1.372760746977589
Energy: 1.6613781897467388
Energy: 1.4419891787092896
Energy: 1.6613781897443192
Energy: 1.2933767973329149
Energy: 1.5370083498031957
Energy: 1.4067915442144598
Energy: 1.537008349802389
Energy: 1.3967633246922364
Energy: 1.8701905646179553
Energy: 1.4058455251898474
Energy: 1.8701905646219876
Energy: 1.901318035474234
Energy: 2.051561662430612
Energy: 1.4397911532059757
Energy: 2.0515616624314186
Energy: 1.3967213376733487
Energy: 1.8697441324354334
Energy: 1.3538931376368035
Energy: 1.8697441324346271

minimum gb energy = 1.286301824988088 eV
minimum distance =  2.20697672062077 Angstroms
sigma value = 29


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

Energy: 1.3995978417347028
Energy: 1.7538357907199358
Energy: 1.747274810393608
Energy: 1.7538357907194049
Energy: 1.289464841133033
Energy: 2.19619230174456
Energy: 1.6337262819661675
Energy: 2.1961923017448406
Energy: 1.2168843616326015
Energy: 1.6890886019903988
Energy: 1.2910444020581255
Energy: 1.6890886019909608
Energy: 1.5515686827715067
Energy: 1.7034544948750325
Energy: 1.4336309727309975
Energy: 1.7034544948750325
Energy: 1.630083093015041
Energy: 1.5682885375510565
Energy: 1.1859500094442175
Energy: 1.5682885375515874
Energy: 1.2172312673027914
Energy: 1.689889638763255
Energy: 1.2172627810602294
Energy: 1.6898896387635358
Energy: 1.6345191979269305
Energy: 1.1628358727572616
Energy: 1.271158087222518
Energy: 1.1628358727578236
Energy: 1.5468719948452128
Energy: 1.5535840864763402
Energy: 1.4541328191465586
Energy: 1.5535840864760593
Energy: 1.4326128449667481
Energy: 1.513733651574194
Energy: 1.2168439131346982
Energy: 1.5137336515747246

minimum gb energy = 1.1628358727572616 eV
minimum distance =  2.30960462191283 Angstroms
sigma value = 5


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

Energy: 1.4833451355532286
Energy: 1.5751938020624527
Energy: 1.7052775706781749
Energy: 1.5751938020549037
Energy: 1.4539683027963124
Energy: 1.7824491548291452
Energy: 1.256549683607846
Energy: 1.78244915482686
Energy: 1.2836638101571227
Energy: 1.3263950516813319
Energy: 1.5313383848408966
Energy: 1.3263950516805703
Energy: 1.175978116730743
Energy: 1.510839436662159
Energy: 1.383023231676283
Energy: 1.5108394366606355
Energy: 1.3062905997796952
Energy: 1.647156689482562
Energy: 1.6547244851648177
Energy: 1.6471566894833236
Energy: 1.221306562286416
Energy: 1.6732920046660587
Energy: 1.2983177313989545
Energy: 1.6732920046622495
Energy: 1.2738638963296989
Energy: 1.4463750221545333
Energy: 1.2784202703452732
Energy: 1.446375022155295
Energy: 1.2670669552778846
Energy: 1.6064078636388348
Energy: 1.2411086963169404
Energy: 1.606407863677688
Energy: 1.3272972938467307
Energy: 1.67999969273694
Energy: 1.1968784755495112
Energy: 1.6799996927361782
Energy: 1.3446849367635803
Energy: 1.4659608377047135
Energy: 1.2054452779481455
Energy: 1.4659608377047135
Energy: 1.211228873957784
Energy: 1.9497142452036167
Energy: 1.3050991007062163
Energy: 1.9497142452043092
Energy: 1.2581030141967207
Energy: 1.709947938992744
Energy: 1.463197048138297
Energy: 1.709947938971413
Energy: 1.3373240594369882
Energy: 1.3754067758187114
Energy: 1.430712934489048
Energy: 1.3754067758202353
Energy: 1.3170593344819064
Energy: 1.687163523364116
Energy: 1.5728405235581808
Energy: 1.687163523364116
Energy: 1.5672752323151944
Energy: 1.8584676421344546
Energy: 1.2926973657754177
Energy: 1.85846764213674
Energy: 1.4466841961761387
Energy: 1.5455261290350575
Energy: 1.3287075996493987
Energy: 1.5455261331508712
Energy: 1.528017910562405
Energy: 1.5396015251454231
Energy: 1.275731972834881
Energy: 1.5396015251469468
Energy: 1.3228594219740468
Energy: 1.567389931135541
Energy: 1.2679506902774442
Energy: 1.5673899311347792
Energy: 1.2715879800966523
Energy: 1.6817903859278733
Energy: 1.311377606894742
Energy: 1.6817903859263497
Energy: 1.2386828387111184
Energy: 1.72205749442898
Energy: 1.3545549287364071
Energy: 1.7220574944274565
Energy: 1.1763170475079339
Energy: 1.6530627174556831
Energy: 1.3374646508858523
Energy: 1.6530627174556831
Energy: 1.2999749945631198
Energy: 1.5130824757443944
Energy: 1.3543173638314383
Energy: 1.5130824757443944
Energy: 1.3026087321354285
Energy: 1.701197620779896
Energy: 1.1814881871288476
Energy: 1.7011976207143786
Energy: 1.510904856810146
Energy: 1.6912908379571374
Energy: 1.2386034855886385
Energy: 1.6912908373014799
Energy: 1.5505815353150278
Energy: 1.4804337900787585
Energy: 1.2638392574894337
Energy: 1.48043378982971
Energy: 1.3221093448148984
Energy: 1.5996658041293437
Energy: 1.2980806347480973
Energy: 1.5996658041270584
Energy: 1.2393397095676435
Energy: 1.5662859775073017
Energy: 1.381416248383589
Energy: 1.566285977511873
Energy: 1.154416786180498
Energy: 1.927215525010515
Energy: 1.4189256354968474
Energy: 1.9272155250089913
Energy: 1.2457014813798983
Energy: 1.898528786460952
Energy: 1.637747487603469
Energy: 1.898528786465523
Energy: 1.6729285054845813
Energy: 1.6988795449335787
Energy: 1.3343514287004938
Energy: 1.6988795449335787
Energy: 1.3115291821990642
Energy: 1.295287354295089
Energy: 1.4783247166541533
Energy: 1.2952873542928034
Energy: 1.52272507839042
Energy: 1.667378066649445
Energy: 1.2468420604158932
Energy: 1.6673780662451216
Energy: 1.397134792123648
Energy: 1.9527880025067819
Energy: 1.1884480349926425
Energy: 1.9527880025075437

minimum gb energy = 1.154416786180498 eV
minimum distance =  2.15819050884604 Angstroms
sigma value = 1


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

Energy: 1.4041215846209705
Energy: 1.403952492692336
Energy: 1.6349645755235518
Energy: 1.403952492692336
Energy: 1.415414344674059
Energy: 1.947674415428169
Energy: 1.2878171511002519
Energy: 1.9476744154271155
Energy: 1.1381368652424322
Energy: 1.3407345627928224
Energy: 1.403582530938316
Energy: 1.3407345627928224
Energy: 1.1663984785582069
Energy: 1.567063492023204
Energy: 1.3137557199845291
Energy: 1.5670634920200917
Energy: 1.168560295835898
Energy: 1.721946875293542
Energy: 1.373270689271586
Energy: 1.7219468752903824
Energy: 1.1844929570923246
Energy: 1.963087781287644
Energy: 1.3142705121436853
Energy: 1.963087781287644
Energy: 1.1076922399655784
Energy: 1.4907409629635076
Energy: 1.2153378924055316
Energy: 1.4907409629635076
Energy: 1.107431685352535
Energy: 1.6421440653259272
Energy: 1.2213462919929232
Energy: 1.6421440653238204
Energy: 1.2716261495264107
Energy: 1.702934205441576
Energy: 1.2501619727937552
Energy: 1.702934205441576
Energy: 1.2716429394875048
Energy: 1.703547333726944
Energy: 1.2215852984536482
Energy: 1.7035473337258906
Energy: 1.1074064735585436
Energy: 1.6425129258490159
Energy: 1.1917308968136422
Energy: 1.6425129258479625
Energy: 1.1080432380907563
Energy: 1.490787151997696
Energy: 1.2153359284305836
Energy: 1.490787151997696
Energy: 1.184398234305084
Energy: 1.9407610790607694
Energy: 1.314692357956687
Energy: 1.9407610790607694
Energy: 1.168449786218016
Energy: 1.7235202402624894
Energy: 1.3585421796565627
Energy: 1.7235202402635428
Energy: 1.1673320495880788
Energy: 1.5670661693911123
Energy: 1.3138065683154256
Energy: 1.5670661693890056
Energy: 1.1687251503616065
Energy: 1.3686839436973521
Energy: 1.3497153680393181
Energy: 1.3686839436984055
Energy: 1.4152505726580613
Energy: 1.9528475694850862
Energy: 1.2880129364450905
Energy: 1.9528475694850862
Energy: 1.4041215846209705
Energy: 1.403952492692336
Energy: 1.1893991785589035
Energy: 1.403952492692336
Energy: 1.4154240834998293
Energy: 1.947674415428169
Energy: 1.2878171511002519
Energy: 1.9476744154271155
Energy: 1.1381368652403256
Energy: 1.3407345627949294
Energy: 1.725039551076344
Energy: 1.340734562793876
Energy: 1.1663984780380892
Energy: 1.5670634920169317
Energy: 1.3137557199855825
Energy: 1.5670634920200917
Energy: 1.168560295835898
Energy: 1.7219468752756353
Energy: 1.3756345700504211
Energy: 1.7219468752745821
Energy: 1.1844929570902178
Energy: 1.9630877812886975
Energy: 1.3142705121436853
Energy: 1.963087781287644
Energy: 1.1076922399297644
Energy: 1.4907409629635076
Energy: 1.189576329137375
Energy: 1.4907409629624544

minimum gb energy = 1.1074064735585436 eV
minimum distance =  2.33414249756888 Angstroms
sigma value = 17


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

Energy: 1.3499277944882588
Energy: 1.2975283086606573
Energy: 1.1367593602889792
Energy: 1.2975283086593552
Energy: 1.335186885026855
Energy: 1.5112988727380727
Energy: 1.2532739831177937
Energy: 1.5112988727374217
Energy: 1.1924861958665767
Energy: 1.2764315192506288
Energy: 1.5302282671107683
Energy: 1.2764315192571396
Energy: 1.181270164572113
Energy: 1.4482730159881287
Energy: 1.2451494406233214
Energy: 1.448273013401361
Energy: 1.1657117457486696
Energy: 1.7068880863085054
Energy: 1.315033534781378
Energy: 1.7068880862674887
Energy: 1.199406824415812
Energy: 1.7721033569057567
Energy: 1.2930762895300458
Energy: 1.7721033569044546
Energy: 1.2513315705617032
Energy: 1.543627730324747
Energy: 1.2392810772145157
Energy: 1.5436277303325598
Energy: 1.1894474743017942
Energy: 1.5453021239072675
Energy: 1.1707093784349767
Energy: 1.5453021239092206
Energy: 1.2344586282361294
Energy: 1.5778389458961264
Energy: 1.1918046442302053
Energy: 1.5778389458961264
Energy: 1.2340399685262926
Energy: 1.8356415366859697
Energy: 1.217817636313097
Energy: 1.8356415366840166
Energy: 1.2406408181271504
Energy: 1.6725506463702857
Energy: 1.2345009857170066
Energy: 1.6725506463722388
Energy: 1.241354420330965
Energy: 1.366593203053925
Energy: 1.15625942606582
Energy: 1.366593203053274
Energy: 1.1057486921120965
Energy: 1.7796372894750874
Energy: 1.2236154729979989
Energy: 1.7796372894757384
Energy: 1.1555439682168573
Energy: 1.5730125852208068
Energy: 1.2677731043678722
Energy: 1.5730125852195047
Energy: 1.2263230672401908
Energy: 1.7589778217022827
Energy: 1.3055815191456792
Energy: 1.758977821704236
Energy: 1.1929219847072625
Energy: 1.6316790488425867
Energy: 1.3017693215383987
Energy: 1.631679048841285
Energy: 1.176724651072185
Energy: 1.5126654268712258
Energy: 1.2083714046622722
Energy: 1.5126654268738302
Energy: 1.265267434609423
Energy: 1.4478026404724313
Energy: 1.2943224690959882
Energy: 1.4478026404717803
Energy: 1.3441467708204253
Energy: 1.8597416830196971
Energy: 1.2228159393710334
Energy: 1.8597416830203481
Energy: 1.3295099517212419
Energy: 1.270894759721239
Energy: 1.2667712217474887
Energy: 1.27089475972189
Energy: 1.3519690033201
Energy: 1.5057833526977364
Energy: 1.2732733609146927
Energy: 1.5057833527191622
Energy: 1.22904125714597
Energy: 1.6707496777219326
Energy: 1.357476361966383
Energy: 1.6707496777082602
Energy: 1.151615177590705
Energy: 1.4915890374431395
Energy: 1.3080889614248694
Energy: 1.4915890373110343
Energy: 1.2388996711468667
Energy: 1.6565889250425945
Energy: 1.3298181511228373
Energy: 1.6565889250419434
Energy: 1.1955555099012842
Energy: 1.4564135957809867
Energy: 1.269652652243308
Energy: 1.456413595773174
Energy: 1.245539224352236
Energy: 1.368629496847202
Energy: 1.1733769697057264
Energy: 1.3686294968387382
Energy: 1.3701897179584723
Energy: 1.5113976422821345
Energy: 1.184964942859745
Energy: 1.511397642298411
Energy: 1.2952659467481855
Energy: 1.7445791102598758
Energy: 1.221340932427549
Energy: 1.744579110260527
Energy: 1.28589291446838
Energy: 1.5567930389560976
Energy: 1.1964249318318554
Energy: 1.5567930389560976
Energy: 1.2263871031287528
Energy: 1.73715551508308
Energy: 1.194792495077158
Energy: 1.7371555150791735
Energy: 1.154871266136299
Energy: 1.3843465540353403
Energy: 1.1995876523865743
Energy: 1.3843465540359914
Energy: 1.1343289008710733
Energy: 1.7147834552923058
Energy: 1.211815945156412
Energy: 1.714783455291655
Energy: 1.2055787454703468
Energy: 1.5267227536703927
Energy: 1.414934341361395
Energy: 1.5267227536736478
Energy: 1.2114712331038144
Energy: 1.559519441541225
Energy: 1.275722137551191
Energy: 1.5595194415399227
Energy: 1.1648790818230526
Energy: 1.2550983180424895
Energy: 1.2351446394458208
Energy: 1.2550983180522557
Energy: 1.2430921818766762
Energy: 1.5297247618469767
Energy: 1.2312811537460284
Energy: 1.5297247618456746
Energy: 1.290825457999494
Energy: 1.7709902093262484
Energy: 1.1684044582251805
Energy: 1.770990209321691
Energy: 1.2997379406634297
Energy: 1.693201987432795
Energy: 1.1775781773817628
Energy: 1.6932019874276458

minimum gb energy = 1.1057486921120965 eV
minimum distance =  2.2055046279641 Angstroms
sigma value = 89


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

Energy: 1.4343235979611897
Energy: 1.4390100325914241
Energy: 0.9859334819020437
Energy: 1.4390100325931279
Energy: 1.4599920538024658
Energy: 1.1402571689504908
Energy: 1.145636032766921
Energy: 1.1402571689504908
Energy: 1.1963591805616698
Energy: 1.649210453028267
Energy: 1.4158956533262403
Energy: 1.6492104530112321
Energy: 1.060388069989409
Energy: 1.2139923039822829
Energy: 1.1782254857991667
Energy: 1.2139923039822829
Energy: 1.1347265873854995
Energy: 1.584383564984893
Energy: 1.7622369785802898
Energy: 1.5843835649831894
Energy: 1.132515217897267
Energy: 1.1033953625245825
Energy: 1.1341910592959443
Energy: 1.1033953625228792
Energy: 1.1452858667443597
Energy: 1.3375431439958765
Energy: 1.1567415807386416
Energy: 1.3375431439958765
Energy: 1.096299846957565
Energy: 1.64186326811715
Energy: 1.1787131986591062
Energy: 1.6418632681188536
Energy: 1.1891918770635717
Energy: 1.415744822588201
Energy: 1.2621247150587103
Energy: 1.415744822588201
Energy: 1.2340491988691338
Energy: 1.5159525386956703
Energy: 1.1300253799375122
Energy: 1.5159525359985253
Energy: 1.466423759291081
Energy: 1.428774925654947
Energy: 1.124270406155581
Energy: 1.428774925654947
Energy: 1.4616831046451306
Energy: 1.340440848994263
Energy: 1.167221521275127
Energy: 1.340440848994263
Energy: 1.1945438028441775
Energy: 1.0787898962948281
Energy: 1.0184611728881539
Energy: 1.0787898962948281
Energy: 1.1629524022937456
Energy: 1.212314370791234
Energy: 1.186443096630288
Energy: 1.212314370791234
Energy: 1.058040881780765
Energy: 1.5390379216205003
Energy: 1.2149184291755486
Energy: 1.5390379216187968

minimum gb energy = 0.9859334819020437 eV
minimum distance =  2.23067945081048 Angstroms
sigma value = 13


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

Energy: 1.0791187956073722
Energy: 1.4999392296015748
Energy: 0.8648952613339087
Energy: 1.499939229595863
Energy: 1.2924191965401939
Energy: 1.5429213546923064
Energy: 1.0187714656336984
Energy: 1.5429213546908782
Energy: 1.0273858961846027
Energy: 1.586699512339307
Energy: 1.144651397103591
Energy: 1.586699512337879
Energy: 1.035655310064522
Energy: 1.5412109287375806
Energy: 1.0087675733654922
Energy: 1.5412109287418647
Energy: 1.0386386431637524
Energy: 1.6864183190893252
Energy: 1.4202705442095969
Energy: 1.6864183190921809
Energy: 0.9983979809161289
Energy: 1.3027874972592355
Energy: 1.0453187481054869
Energy: 1.3027874973484208
Energy: 1.0391564250755922
Energy: 1.7310015807318058
Energy: 1.6846138609194903
Energy: 1.7310015807325199
Energy: 0.9974970768544704
Energy: 1.6186961500064607
Energy: 1.0456720760796145
Energy: 1.6186961500107446
Energy: 1.039318058027625
Energy: 1.5960364971036392
Energy: 1.3371253796179825
Energy: 1.5960364971043532
Energy: 1.235380530128007
Energy: 1.7088205307602102
Energy: 1.00883831049377
Energy: 1.7088205307587825
Energy: 1.0390820513177894
Energy: 1.3615213778485422
Energy: 0.9784240647039916
Energy: 1.3615213778478281
Energy: 1.4810588583485347
Energy: 1.693275265015314
Energy: 1.0089625986524278
Energy: 1.6932752650167422
Energy: 1.0843056408223544
Energy: 1.5373111991624133
Energy: 0.9538056641005228
Energy: 1.5373111991645554
Energy: 1.496687284439939
Energy: 1.577621624440504
Energy: 1.0091121499976474
Energy: 1.5776216244426462
Energy: 1.0395804665708257
Energy: 1.5912954025489594
Energy: 0.9910760107580521
Energy: 1.5912954025482453
Energy: 1.019328342646162
Energy: 1.3592652299193786
Energy: 1.0186480974136898
Energy: 1.3592652299193786
Energy: 1.0026523289946678
Energy: 1.7062149534381297
Energy: 1.0208032598254695
Energy: 1.7062149534381297
Energy: 1.010938359519882
Energy: 1.5422868030646466
Energy: 1.0877152624652613
Energy: 1.5422868030682166
Energy: 1.0319525674142576
Energy: 1.7121959204681805
Energy: 1.087777731055094
Energy: 1.7121959204710366
Energy: 1.0028458901147979
Energy: 1.713269465089506
Energy: 1.0876895010923697
Energy: 1.7132694650866498
Energy: 1.0110728465056846
Energy: 1.5575662859830204
Energy: 1.0878094703620491
Energy: 1.5575662859844486
Energy: 1.0064653743036789
Energy: 1.6850556127404088
Energy: 1.0207688439872757
Energy: 1.685055612741123
Energy: 1.0189983300960477
Energy: 1.358091494236699
Energy: 1.018659641094174
Energy: 1.358091494236699
Energy: 1.0395278781152077
Energy: 1.5911395187442086
Energy: 0.9867612302224986
Energy: 1.5911395187434945
Energy: 1.4969132451563776
Energy: 1.5775887230794288
Energy: 1.009033454898666
Energy: 1.5775887230787147
Energy: 1.0912509785244675
Energy: 1.536922314558692
Energy: 0.9995295406120113
Energy: 1.5369223145579782
Energy: 1.4807894329025477
Energy: 1.7064732424595477
Energy: 1.0088571778779134
Energy: 1.7064732424581848
Energy: 1.0390848149355272
Energy: 1.3609831938167978
Energy: 1.0035466913179178
Energy: 1.3609831938146557
Energy: 1.235081932010626
Energy: 1.7068639818672542
Energy: 1.0087446677910308
Energy: 1.706863981867968
Energy: 1.0389669575404858
Energy: 1.6025772205888844
Energy: 1.252059653563326
Energy: 1.6025772205838864
Energy: 0.9974518454814857
Energy: 1.618727605498145
Energy: 1.0454461162246496
Energy: 1.6187276054967172
Energy: 1.0391570745898442
Energy: 1.7663917694095976
Energy: 1.5304876281295439
Energy: 1.7663917694103115
Energy: 0.9980224362570018
Energy: 1.299373942266051
Energy: 1.0454808084950307
Energy: 1.2993739422667647
Energy: 1.0383519546848243
Energy: 1.6868195947255906
Energy: 1.4515220680753456
Energy: 1.6868195947255906
Energy: 1.0355365350881995
Energy: 1.5433012681925564
Energy: 1.008607699342711
Energy: 1.5433012681925564

minimum gb energy = 0.8648952613339087 eV
minimum distance =  2.15537245367853 Angstroms
sigma value = 37


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

Energy: 0.9691651757513423
Energy: 0.9639820335417731
Energy: 0.8465250447503931
Energy: 0.9639820335417731
Energy: 1.3169076961377568
Energy: 1.3630230769626983
Energy: 0.8826005629239412
Energy: 1.3630230769626983
Energy: 0.8888753615562631
Energy: 1.7653644799270363
Energy: 1.1434856596159961
Energy: 1.7653644799380916
Energy: 0.906394295668424
Energy: 1.3625553075275083
Energy: 0.8866175609464457
Energy: 1.3625553075262797
Energy: 0.8767204981786312
Energy: 1.362411187359811
Energy: 1.2124013290968778
Energy: 1.362411187359811
Energy: 0.8191360144090476
Energy: 1.3630648905861031
Energy: 0.8860990766506589
Energy: 1.36306489058856
Energy: 0.9026120790381249
Energy: 1.8227056868942269
Energy: 1.3462475692901257
Energy: 1.8227056868942269
Energy: 0.909125138058888
Energy: 0.964822154996711
Energy: 0.9672845723737591
Energy: 0.964822154996711
Energy: 0.8766024893051665
Energy: 1.3625866501110497
Energy: 1.4838489671190462
Energy: 1.3625866501049075
Energy: 1.124566261968245
Energy: 1.7529029883420708
Energy: 0.8866373863319925
Energy: 1.7529029883420708
Energy: 0.9025670342240453
Energy: 1.8809699844010268
Energy: 0.9174219895643744
Energy: 1.8809699843997987
Energy: 1.3727362889682666
Energy: 1.3586762560744408
Energy: 0.9089998933427834
Energy: 1.3586762560744408
Energy: 0.8742378682316885
Energy: 1.4774940005963018
Energy: 0.8172692143792515
Energy: 1.4774940005950734
Energy: 1.293492204832559
Energy: 1.8777155034875368
Energy: 0.9012609604681782
Energy: 1.8777155034875368
Energy: 0.9598360086086497
Energy: 1.0253341017950552
Energy: 0.9122502109222027
Energy: 1.0253341017950552
Energy: 1.0355353248656043
Energy: 1.477455737681413
Energy: 0.9093951373947771
Energy: 1.477455737681413
Energy: 0.8739403349378112
Energy: 1.7424696238596744
Energy: 0.7765837590285949
Energy: 1.7424696238609028
Energy: 0.9169817099785057
Energy: 1.8773782268574368
Energy: 0.9015373070459308
Energy: 1.8773782268574368
Energy: 0.9072544329877845
Energy: 1.3578947338044625
Energy: 0.9076080883983494
Energy: 1.3578947338044625
Energy: 0.9203495290536463
Energy: 1.4776739519164255
Energy: 0.9190257804036502
Energy: 1.4776739519176543

minimum gb energy = 0.7765837590285949 eV
minimum distance =  2.29151355493999 Angstroms
sigma value = 25


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

Energy: 1.0466736246156503
Energy: 1.509604485064957
Energy: 0.7182364307955187
Energy: 1.5096044850659163
Energy: 1.5851077694333513
Energy: 1.4744840121776643
Energy: 0.78480016387203
Energy: 1.474484012176705
Energy: 0.9575009510349234
Energy: 0.97956453540939
Energy: 1.049106774598581
Energy: 0.97956453540939
Energy: 1.2723508165351796
Energy: 1.3364503620826589
Energy: 0.7811592359617021
Energy: 1.3364503620816994
Energy: 0.8005919360758135
Energy: 1.4674429244008278
Energy: 1.2083932755690547
Energy: 1.467442924401787
Energy: 0.9297342584033343
Energy: 1.4550064922128745
Energy: 0.804624233525038
Energy: 1.4550064922138337
Energy: 0.7871218540106748
Energy: 1.1112281839198244
Energy: 1.2447231380898407
Energy: 1.1112281839188654
Energy: 0.6840889187613433
Energy: 1.3545050719253324
Energy: 0.969343962179119
Energy: 1.3545050719262917
Energy: 0.7822102329557077
Energy: 1.4748545900880023
Energy: 1.6404854896846737
Energy: 1.4748545900889614
Energy: 0.7633346771979437
Energy: 1.4376117013483152
Energy: 0.8629512770468513
Energy: 1.437611701347356
Energy: 0.7871347074747469
Energy: 1.1126889696594435
Energy: 1.4391705536668171
Energy: 1.1126889696508104
Energy: 1.0541918746771328
Energy: 1.5185520379840998
Energy: 0.9696445433262213
Energy: 1.5185520379831405
Energy: 0.782648966457902
Energy: 1.3511095871256997
Energy: 1.390295796490074
Energy: 1.3511095871247405
Energy: 1.1295725171727649
Energy: 1.5190570940548505
Energy: 0.8048058883312237
Energy: 1.5190570940558097
Energy: 0.8059893446278714
Energy: 1.2772234305301409
Energy: 0.9327008440354849
Energy: 1.2772234305320596
Energy: 1.2492629279481466
Energy: 1.5740838382106108
Energy: 0.7889964535482374
Energy: 1.57408383821157
Energy: 0.9698841023410804
Energy: 1.3449839602216023
Energy: 0.7108946505852063
Energy: 1.3449839602225615
Energy: 1.3538144937730159
Energy: 1.5604572062679385
Energy: 0.7852260851971333
Energy: 1.5604572062679385
Energy: 1.0432413232497977
Energy: 1.4970218725818374
Energy: 0.771197683780418
Energy: 1.497021872583756
Energy: 1.5965215499280434
Energy: 1.6089257875957348
Energy: 0.7895025626851607
Energy: 1.6089257875957348
Energy: 0.9610825339802994
Energy: 1.5628537204119692
Energy: 0.7088093969760215
Energy: 1.5628537204119692
Energy: 1.0209080262964685
Energy: 1.4353682910674916
Energy: 0.7860593824065925
Energy: 1.4353682910684509
Energy: 0.8058993241612098
Energy: 1.4701449216019817
Energy: 1.130779392179755
Energy: 1.4701449216019817
Energy: 0.9384006218257215
Energy: 1.5995208649722807
Energy: 0.7949959359481815
Energy: 1.5995208649713213
Energy: 0.7880603711394686
Energy: 1.5678457328402053
Energy: 1.2556504907242614
Energy: 1.5678457328402053
Energy: 0.7804352453509801
Energy: 1.4443797046079454
Energy: 0.9726192485647166
Energy: 1.4443797046069862

minimum gb energy = 0.6840889187613433 eV
minimum distance =  2.17126684390283 Angstroms
sigma value = 41


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

Energy: 1.3936990642057414
Energy: 1.330297566760018
Energy: 0.7353918522719254
Energy: 1.3302975667568726
Energy: 1.643559056755894
Energy: 1.2611469260261348
Energy: 0.675772720466505
Energy: 1.2611469260269212
Energy: 0.8622335383044876
Energy: 1.291873761201811
Energy: 1.0029375725400225
Energy: 1.291873761201811
Energy: 1.3340376720771514
Energy: 1.1269559282957775
Energy: 0.675720889642126
Energy: 1.126955928296564
Energy: 0.8184836548246309
Energy: 1.2873293126105558
Energy: 1.0464477918183286
Energy: 1.2873293126113423
Energy: 1.073934383974283
Energy: 1.24070645543955
Energy: 0.6868426505036915
Energy: 1.2407064554419092
Energy: 0.6862708742545598
Energy: 1.262287197246645
Energy: 1.0743213674217447
Energy: 1.262287197246645
Energy: 0.8059594600697783
Energy: 1.1416574356348932
Energy: 0.8191062696785397
Energy: 1.1416574356333202
Energy: 0.6716115001635028
Energy: 1.3498382724182731
Energy: 1.4186062005335467
Energy: 1.3498382724190596
Energy: 0.6089950632373144
Energy: 1.3000127492596782
Energy: 0.8621581606436032
Energy: 1.300012749258892
Energy: 0.6760242924930487
Energy: 1.2695409073408395
Energy: 1.5449776911502602
Energy: 1.2695409070279913
Energy: 0.6729595495138097
Energy: 1.2815543494459836
Energy: 1.2497522271118615
Energy: 1.28155434944677
Energy: 0.6716513545438909
Energy: 1.3703818675593389
Energy: 1.5283251874677466
Energy: 1.3703818675585526
Energy: 0.920290376389014
Energy: 1.3983690437314746
Energy: 0.8623158888996486
Energy: 1.3983690437346206
Energy: 0.6754407043397205
Energy: 1.126105114457633
Energy: 1.3335536158725965
Energy: 1.1261051144607788
Energy: 0.9717111286296377
Energy: 1.282126831818409
Energy: 0.8190997925521896
Energy: 1.2821268318191952
Energy: 0.6827341313918587
Energy: 1.385760669027436
Energy: 1.169929024724516
Energy: 1.3857606690266497
Energy: 1.0782669053185407
Energy: 1.4299244397463269
Energy: 0.686252641529545
Energy: 1.4299244397455404
Energy: 0.8194761467210226
Energy: 1.1340341821849877
Energy: 0.8096744977426241
Energy: 1.1340341821865605
Energy: 1.1251401721410466
Energy: 1.3564835714415582
Energy: 0.6711181850454226
Energy: 1.3564835714423447
Energy: 0.9382495221102418
Energy: 1.4195362464758778
Energy: 0.6314539943223556
Energy: 1.4195362464774506
Energy: 1.549042567326698
Energy: 1.4848693558923596
Energy: 0.6752568751921643
Energy: 1.484869355891573
Energy: 1.3866722699888112
Energy: 1.3261230558150454
Energy: 0.677089556099653
Energy: 1.3261230558158317
Energy: 1.4029028010159705
Energy: 1.3914199120493778
Energy: 0.6712276415723258
Energy: 1.3914199120493778
Energy: 0.8643118654449734
Energy: 1.4246435662865955
Energy: 0.6252459054202826
Energy: 1.424643566285809
Energy: 1.337403948896594
Energy: 1.4759924342508974
Energy: 0.675749549035434
Energy: 1.4759924342508974
Energy: 0.8202397603092036
Energy: 1.3412132728355173
Energy: 0.9729215084904369
Energy: 1.3412132728355173
Energy: 0.8727264659831281
Energy: 1.3556110982171217
Energy: 0.6837717765030406
Energy: 1.3556110982163352
Energy: 0.6838859542156869
Energy: 1.423353272456064
Energy: 1.0804954258713477
Energy: 1.4233532724568503
Energy: 0.8101577223222378
Energy: 1.4364470294738187
Energy: 0.8205663493817125
Energy: 1.4364470294714595
Energy: 0.6716585048308344
Energy: 1.3407910161927923
Energy: 1.1309923753216908
Energy: 1.3407910161935785
Energy: 0.6811323539986401
Energy: 1.4227211671881976
Energy: 0.8650274405911682
Energy: 1.4227211671866247

minimum gb energy = 0.6089950632373144 eV
minimum distance =  2.18804576922669 Angstroms
sigma value = 15


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

Energy: 1.1133818101969897
Energy: 1.2672781925582532
Energy: 0.5043043615835541
Energy: 1.2672781925602519
Energy: 1.5913076218395001
Energy: 1.188500643695743
Energy: 0.6268462429257722
Energy: 1.1885006436937444
Energy: 0.6652800284281609
Energy: 1.104985950829431
Energy: 0.8684870669980111
Energy: 1.104985950836093
Energy: 1.2423063709370383
Energy: 1.1803517602162175
Energy: 0.6274810186615575
Energy: 1.1803517602455298
Energy: 0.6287284948292802
Energy: 1.2803037623476925
Energy: 0.8010367158036907
Energy: 1.2803037623483589
Energy: 1.0606784655842332
Energy: 1.203727257006059
Energy: 0.6272316228001742
Energy: 1.2037272570080577
Energy: 0.6242427962024083
Energy: 1.1253225022432622
Energy: 0.8385167447330923
Energy: 1.125322502242596
Energy: 0.8359669773342757
Energy: 1.1218661194834973
Energy: 0.6263313273069674
Energy: 1.1218661198044848
Energy: 0.627706067881589
Energy: 1.2759748610281934
Energy: 1.1562190411363589
Energy: 1.2759748610281934
Energy: 0.6078053240851777
Energy: 1.2442975717545117
Energy: 0.6290073915473485
Energy: 1.2442975717545117
Energy: 0.6242793448252012
Energy: 1.180263523056969
Energy: 1.2719696834465397
Energy: 1.180263523058968
Energy: 0.7501710997562917
Energy: 1.1042236630350708
Energy: 0.6651860529205336
Energy: 1.1042236630364033
Energy: 0.6271166053926257
Energy: 1.2804631834962872
Energy: 1.518245149855643
Energy: 1.28046318349762
Energy: 0.6081816613886187
Energy: 1.2625668135607657
Energy: 1.1143659696123738
Energy: 1.2625668135620982
Energy: 0.6237879533383452
Energy: 1.1868090478536275
Energy: 1.441588320155565
Energy: 1.1868090478562923
Energy: 0.7974840759505217
Energy: 1.105186984301881
Energy: 0.6651376505427729
Energy: 1.1051869842978836
Energy: 0.6272775201580575
Energy: 1.2808004882248407
Energy: 1.3297793917917715
Energy: 1.2808004882228419
Energy: 0.8516823622211682
Energy: 1.2746064167490432
Energy: 0.6290854274564621
Energy: 1.2746064167463784
Energy: 0.6244997697443924
Energy: 1.191265592573909
Energy: 1.0479697975283944
Energy: 1.1912655925719102
Energy: 0.8423981457902794
Energy: 1.1799978999678338
Energy: 0.6268542772767353
Energy: 1.1799978999685001
Energy: 0.6276193953678306
Energy: 1.2302068547589162
Energy: 0.9152380439652753
Energy: 1.2302068547589162
Energy: 0.8980916844914734
Energy: 1.2709085478675102
Energy: 0.6279778698132858
Energy: 1.2709085478715074
Energy: 0.6241978600823538
Energy: 1.2508311656571645
Energy: 0.5998236714845471
Energy: 1.2508311656584972
Energy: 1.2615439388205518
Energy: 1.1823008299373536
Energy: 0.6268236433456622
Energy: 1.1823008299373536
Energy: 0.6654492528286872
Energy: 1.2737742778521344
Energy: 0.5630571387734363
Energy: 1.273774277853467
Energy: 1.2759514754076706
Energy: 1.2826397970485657
Energy: 0.6277488775928267
Energy: 1.2826397970518968
Energy: 1.114388780100271
Energy: 1.2596371944340083
Energy: 0.6094551611299549
Energy: 1.2596371944286788
Energy: 1.448820990379766
Energy: 1.1874050588724663
Energy: 0.6269685605170983
Energy: 1.187405058875131
Energy: 0.6656969242728402
Energy: 1.3021919563615418
Energy: 0.5501253289312187
Energy: 1.302191956362874
Energy: 1.1130936834772978
Energy: 1.2797509088569732
Energy: 0.6275254440164887
Energy: 1.2797509088556405
Energy: 0.6278246482874188
Energy: 1.2686116798179377
Energy: 0.8401340656295953
Energy: 1.2686116798179377
Energy: 1.0501184310856726
Energy: 1.18776386036142
Energy: 0.6268995519969781
Energy: 1.1877638603567566
Energy: 0.6271123449523941
Energy: 1.3113990537238926
Energy: 0.8646885434352483
Energy: 1.311399053725225
Energy: 0.653787480211175
Energy: 1.2292877191768594
Energy: 0.6277627208746495
Energy: 1.2292877191821887
Energy: 0.6088078785923243
Energy: 1.2697729322666313
Energy: 0.8983960298421533
Energy: 1.269772932265965
Energy: 0.5992857490939926
Energy: 1.2457659277145017
Energy: 0.6246276873538171
Energy: 1.2457659277165003
Energy: 0.6275699522312363
Energy: 1.3016376132708065
Energy: 1.2655591899187557
Energy: 1.3016376132721392

minimum gb energy = 0.5043043615835541 eV
minimum distance =  2.18370976965984 Angstroms
sigma value = 85


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

Energy: 1.1503111442370972
Energy: 1.2086321536979856
Energy: 0.48962732673271686
Energy: 1.20863215369683
Energy: 1.6026436432222155
Energy: 1.1065470208956407
Energy: 0.5662470553031884
Energy: 1.106547020894485
Energy: 1.0967770232534206
Energy: 1.0895960299853356
Energy: 0.7542567767700474
Energy: 1.0895960299853356
Energy: 1.35461003397387
Energy: 1.1094924804531165
Energy: 0.5660292484268363
Energy: 1.1094924804525388
Energy: 0.7305222119418446
Energy: 1.038503027344778
Energy: 0.7924112737423106
Energy: 1.038503027344778
Energy: 1.1673057847383344
Energy: 1.0868585383190905
Energy: 0.5654439595074153
Energy: 1.0868585383190905
Energy: 0.6695193030829025
Energy: 1.040292488531404
Energy: 0.8269730876927531
Energy: 1.0402924885308262
Energy: 1.0017414040301857
Energy: 1.1277862367520273
Energy: 0.5806850322143332
Energy: 1.1277862367514495
Energy: 0.5807653852601773
Energy: 1.008154324112241
Energy: 1.0918976511195757
Energy: 1.0081543241110855
Energy: 0.8072224277141126
Energy: 1.0480698651617923
Energy: 0.6724942503017836
Energy: 1.0480698651623699
Energy: 0.56806719801676
Energy: 1.1037288223099144
Energy: 1.2085722538275616
Energy: 1.103728822308759
Energy: 0.5764801052075174
Energy: 1.1600395247839626
Energy: 0.7287193981507666
Energy: 1.1600395247845405
Energy: 0.5665534955386864
Energy: 1.0082574044893706
Energy: 1.444719005458246
Energy: 1.0082574044893706
Energy: 0.4539879507627354
Energy: 1.0875022004836696
Energy: 1.1001679532826827
Energy: 1.0875022004830919
Energy: 0.5688392801420031
Energy: 1.1084181476145252
Energy: 1.528857287312051
Energy: 1.1084181476139474
Energy: 0.49628606468844416
Energy: 1.1751146894937003
Energy: 1.0458816752275681
Energy: 1.175114689494856
Energy: 0.5661764080496733
Energy: 1.0080047668583878
Energy: 1.5105889941134272
Energy: 1.0080047668589656
Energy: 0.6726216777899661
Energy: 1.087646597998214
Energy: 1.1001177127495279
Energy: 1.0876465979993695
Energy: 0.5684397488319896
Energy: 1.1093225693786506
Energy: 1.360061054803453
Energy: 1.1093225693792284
Energy: 0.7120915956985021
Energy: 1.1997748241391244
Energy: 0.7287337157305573
Energy: 1.1997748241385469
Energy: 0.566734961310167
Energy: 0.9199889063700195
Energy: 1.2506093362001534
Energy: 0.9199889063705972
Energy: 0.8209198745214129
Energy: 1.032672993312117
Energy: 0.6726825391248547
Energy: 1.0326729933132726
Energy: 0.5799117568110373
Energy: 1.1266215668887667
Energy: 0.9925615181117091
Energy: 1.1266215668905002
Energy: 0.8895690287080471
Energy: 1.1961351265250513
Energy: 0.5806538375965133
Energy: 1.19613512652794
Energy: 0.6731849534140852
Energy: 0.9316805583564021
Energy: 0.8799606418454028
Energy: 0.9316805583564021
Energy: 1.1979873359519957
Energy: 1.104093754582945
Energy: 0.5659001463812745
Energy: 1.104093754582945
Energy: 0.7827622926519521
Energy: 1.1594128711424225
Energy: 0.5887461715416342
Energy: 1.1594128711424225
Energy: 1.2543102842325304
Energy: 1.200302987716882
Energy: 0.5661027689298139
Energy: 1.2003029877428826
Energy: 1.0970793399639773
Energy: 1.0798806744409741
Energy: 0.5556339731450637
Energy: 1.0798806744409741
Energy: 1.5342832896563199
Energy: 1.1092121280195926
Energy: 0.5668176525535592
Energy: 1.1092121280201706
Energy: 1.238904983013994
Energy: 1.2016604200870606
Energy: 0.5014639249085241
Energy: 1.2016604200864833
Energy: 1.422316945666951
Energy: 1.206272410732156
Energy: 0.5665069291802234
Energy: 1.2062724107327338
Energy: 1.0965443467749079
Energy: 1.0804354747168294
Energy: 0.44696106371695205
Energy: 1.0804354747260478
Energy: 1.357263855627311
Energy: 1.1092543982322371
Energy: 0.5666268898267078
Energy: 1.1092543982322371
Energy: 0.7829477656555466
Energy: 1.1993764649299572
Energy: 0.7087955620759547
Energy: 1.1993764649293794
Energy: 1.0535302211227728
Energy: 1.1878740780721762
Energy: 0.567234269440819
Energy: 1.1878740780739097
Energy: 0.6730863998561867
Energy: 1.0328141431367968
Energy: 0.8158250599537693
Energy: 1.03281414313853
Energy: 0.9878205393262942
Energy: 1.107556679007913
Energy: 0.5800318611551761
Energy: 1.1075566790061797
Energy: 0.5804798642411776
Energy: 1.195195451287649
Energy: 0.8964825699864623
Energy: 1.195195451288227
Energy: 0.6856542902300166
Energy: 1.1816304710976664
Energy: 0.6734999819659295
Energy: 1.1816304710976664
Energy: 0.567729428809831
Energy: 1.101867287207183
Energy: 1.2037658637654858
Energy: 1.1018672872077608
Energy: 0.5869339855342216
Energy: 1.1421502387420672
Energy: 0.7821807529851041
Energy: 1.1421502387426448
Energy: 0.5681932071733082
Energy: 1.1993843058203115
Energy: 1.2656920787077062
Energy: 1.199384305822045

minimum gb energy = 0.44696106371695205 eV
minimum distance =  2.18665616881668 Angstroms
sigma value = 113


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

Energy: 0.9226077645748172
Energy: 0.9226102479838205
Energy: 1.9105505375886553
Energy: 0.9226102479838205
Energy: 1.4214496936970318
Energy: 0.3181318820183569
Energy: 0.31827044249536107
Energy: 0.3181318820183569
Energy: 0.018665898726544866
Energy: 0.01916353951773309
Energy: 2.12711799289429
Energy: 0.01916353951773309
Energy: 1.4214496936870624
Energy: 0.3181318820188011
Energy: 0.31827044249575587
Energy: 0.3181318820188011
Energy: 0.9226077645744224
Energy: 0.9226102479838205
Energy: 2.298697584207546
Energy: 0.9226102479838205
Energy: 1.4214496936818308
Energy: 0.3181318820192453
Energy: 0.31827044249536107
Energy: 0.3181318820183569

minimum gb energy = 0.018665898726544866 eV
minimum distance =  2.54154901730847 Angstroms
sigma value = 1