Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Au__MO_774911580446_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0729350447654715
cohesive_energy=3.930309114047675
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4168416475087818e-19, 2.0537501182928997e-19, 2.56953884207652e-19, 3.0123804637141195e-19, 3.4030552141486793e-19, 3.7528103733508795e-19, 4.0685353008469195e-19, 4.35484426534272e-19, 4.61497366363896e-19, 4.851374825985659e-19, 5.0659222990446e-19, 5.260058041786379e-19, 5.43501573021918e-19, 5.591772692089739e-19, 5.7311460374814e-19, 5.8538727676458e-19, 5.960561709703859e-19, 6.051741581944799e-19, 6.12787701559248e-19, 6.18941662010442e-19, 6.23672889610644e-19, 6.27015030069168e-19, 6.29000126918694e-19, 6.29655417162e-19, 6.289360398533339e-19, 6.265744314948179e-19, 6.222213175802399e-19, 6.154473147716879e-19, 6.057269091332099e-19, 5.924144234813039e-19, 5.747103716756039e-19, 5.51619802026396e-19, 5.21894618935794e-19, 4.83966291479112e-19, 4.358320988638499e-19, 3.7493977371204603e-19, 2.97979219097856e-19, 2.0063417116928399e-19, 7.721514048133259e-20, -7.988548827722039e-20, -2.8095769453824e-19, -5.40132195560616e-19, -8.77137233109444e-19, -1.3200541570488417e-18, -1.90969841712996e-18, -2.70686140137666e-18, -3.80467283099346e-18, -5.3506130651400595e-18, -7.58745992916648e-18, -1.0934166591097379e-17, -1.6156509394919397e-17, -2.4759076395855596e-17, -3.9989367478659594e-17, -6.98055542020728e-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: 0.011941940400582081
Energy: 0.01250728096609959
Energy: 0.49962993860480853
Energy: 0.01250728096609959
Energy: 0.01250728096609959
Energy: 0.43964687591141804
Energy: 0.01250728096609959
Energy: 0.4396468759041712
Energy: 0.49962993860579674
Energy: 0.012507280966593697
Energy: 0.011941940400582081
Energy: 0.01250728096609959
Energy: 0.01250728096609959
Energy: 0.43964687591141804
Energy: 0.012507280966593697
Energy: 0.4396468759051594

minimum gb energy = 0.011941940400582081 eV
minimum distance =  2.75474724433963 Angstroms
sigma value = 1


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

Energy: 0.9075703927091707
Energy: 0.6665928492679326
Energy: 0.7189011812378205
Energy: 0.6665928492685318
Energy: 0.6841516045785659
Energy: 0.9212579933242508
Energy: 0.6929279542054904
Energy: 0.9212579933242508
Energy: 0.718754371746385
Energy: 0.7088974517035219
Energy: 0.9892509692998535
Energy: 0.7088974517023234
Energy: 0.6619624300335128
Energy: 0.8745163238620571
Energy: 0.6912868025770447
Energy: 0.8745163238614578
Energy: 0.8427406278661709
Energy: 0.6799500008263681
Energy: 0.6482064501732171
Energy: 0.6799500008245702
Energy: 0.6666348423179038
Energy: 0.8562799127203778
Energy: 0.6387207696142984
Energy: 0.8562799127209771
Energy: 0.6714857681405645
Energy: 0.7038872085398645
Energy: 0.8427750548468618
Energy: 0.7038872085392652
Energy: 0.6430724730053473
Energy: 0.8470752651612977
Energy: 0.7054203952835024
Energy: 0.847075265161897
Energy: 0.7243230030985149
Energy: 0.6794070916969662
Energy: 0.7567026691183951
Energy: 0.6794070916969662
Energy: 0.6448936706481949
Energy: 0.8312001338002526
Energy: 0.7064404822129101
Energy: 0.8312001338008519
Energy: 0.7764806861236977
Energy: 0.7086103592919861
Energy: 0.725625406744897
Energy: 0.7086103592925853
Energy: 0.6789845975432752
Energy: 0.844641881925396
Energy: 0.648753976949535
Energy: 0.844641881925396
Energy: 0.6362373312096773
Energy: 0.7166461570989199
Energy: 0.9104786031907075
Energy: 0.7166461570983207
Energy: 0.7219339235875378
Energy: 0.8496376910034508
Energy: 0.6904217980896771
Energy: 0.8496376910034508
Energy: 0.9092454909686362
Energy: 0.6797677791999266
Energy: 0.6455041345496496
Energy: 0.6797677792017244
Energy: 0.6392068966050078
Energy: 0.9148823742136556
Energy: 0.6904838599927127
Energy: 0.9148823742130563
Energy: 0.7190872595327303
Energy: 0.7203472470125106
Energy: 1.0699524917655208
Energy: 0.7203472469975296
Energy: 0.6922417534793119
Energy: 0.9148486578471328
Energy: 0.686670964359491
Energy: 0.9148486578471328
Energy: 0.9901587690282081
Energy: 0.7203544030876156
Energy: 0.7137807533057788
Energy: 0.7203544030870165
Energy: 0.7815352408728693
Energy: 0.8904049298031079
Energy: 0.6857111072501773
Energy: 0.8904049298025087
Energy: 0.6493842213454321
Energy: 0.6780109668865647
Energy: 0.8434900858985208
Energy: 0.6780109668865647
Energy: 0.644704991103303
Energy: 0.8578572483235446
Energy: 0.6665144331355051
Energy: 0.8578572483229455
Energy: 0.8428884596455284
Energy: 0.6794644594239229
Energy: 0.7025958876634041
Energy: 0.6794644594251213
Energy: 0.7023054659107866
Energy: 0.8316066323993371
Energy: 0.6754716476472684
Energy: 0.8316066323999363
Energy: 0.7834689176139015
Energy: 0.688709836567589
Energy: 0.7892653192608817
Energy: 0.6887098365681883
Energy: 0.7054499948443369
Energy: 0.831852969203805
Energy: 0.646019469391374
Energy: 0.831852969203805
Energy: 0.7239816881398646
Energy: 0.6942957034524054
Energy: 0.8073754695145912
Energy: 0.6942957034524054
Energy: 0.6471205064408758
Energy: 0.8452891603499304
Energy: 0.754786455657674
Energy: 0.8452891603499304
Energy: 0.9419058175484273
Energy: 0.7193763232658337
Energy: 0.6370508946692908
Energy: 0.7193763232652346
Energy: 0.6420416705638613
Energy: 0.7941517118051168
Energy: 0.7253879980504939
Energy: 0.7941517118045176
Energy: 0.6630806994417051
Energy: 0.695697093079703
Energy: 0.9391653613867392
Energy: 0.6956970930803021
Energy: 0.688949044473711
Energy: 0.8035553167961434
Energy: 0.6391012059644581
Energy: 0.8035553167961434
Energy: 1.0984943543181298
Energy: 0.6623977144912695
Energy: 0.7143320093614944
Energy: 0.6623977144918688

minimum gb energy = 0.6362373312096773 eV
minimum distance =  2.58586575443363 Angstroms
sigma value = 1


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

Energy: 1.0301222470955995
Energy: 0.6803637649140566
Energy: 0.7602866904346511
Energy: 0.6803637649140566
Energy: 0.7187617400136767
Energy: 0.9325362287462733
Energy: 0.7289632122887233
Energy: 0.9325362287462733
Energy: 0.7584106731208379
Energy: 0.7493018516121515
Energy: 0.9439554617314484
Energy: 0.749301851610785
Energy: 0.6950513547370606
Energy: 0.8824640410179838
Energy: 0.7259769452848107
Energy: 0.8824640410186669
Energy: 0.9439719824910033
Energy: 0.7154422766282977
Energy: 0.680468451203941
Energy: 0.7154422766276146
Energy: 0.6982979768420824
Energy: 0.8636357150414741
Energy: 0.6698470782236077
Energy: 0.863635715040791
Energy: 0.7139466372341995
Energy: 0.7361677968032402
Energy: 0.7888236616974091
Energy: 0.7361677968011904
Energy: 0.6725407623336315
Energy: 0.8599708417380216
Energy: 0.7442558752960948
Energy: 0.8599708417373384
Energy: 0.7900247506598235
Energy: 0.7227356586070642
Energy: 0.7226019566226269
Energy: 0.722735658606381
Energy: 0.67842296462607
Energy: 0.8610937008181098
Energy: 0.709851566249787
Energy: 0.8610937008167433
Energy: 0.8588214656135669
Energy: 0.7562130747052158
Energy: 0.6755927875313236
Energy: 0.7562130747038494
Energy: 0.7229447431647584
Energy: 0.8562517352671412
Energy: 0.6994090226891138
Energy: 0.8562517352691909
Energy: 0.6408158667467934
Energy: 0.7460117935453153
Energy: 0.8578141746629632
Energy: 0.7460117935459986
Energy: 0.7266219721095344
Energy: 0.8367065379114546
Energy: 0.6695424215506138
Energy: 0.8367065379100882
Energy: 1.0317361828176224
Energy: 0.7609149503252584
Energy: 0.7604728114586917
Energy: 0.7609149503266248
Energy: 0.7217988355425825
Energy: 0.9217922332034086
Energy: 0.7299119532044707
Energy: 0.921792233204092
Energy: 0.7529107125940833
Energy: 0.7493767764551043
Energy: 0.9443012627862396
Energy: 0.7493767764551043
Energy: 0.7202631240792187
Energy: 0.8853050505579183
Energy: 0.7677176845615311
Energy: 0.885305050556552
Energy: 0.9444181306611007
Energy: 0.7125195214141337
Energy: 0.6839119906425456
Energy: 0.7125195214141337
Energy: 0.6993563753258428
Energy: 0.8658584712145451
Energy: 0.6739342862261847
Energy: 0.8658584712131786
Energy: 0.7486890039291001
Energy: 0.7160642901519682
Energy: 0.7893790196534907
Energy: 0.716064290154018
Energy: 0.7160928939740471
Energy: 0.8340545071616401
Energy: 0.679641586637034
Energy: 0.8340545071636898
Energy: 0.7903007724250541
Energy: 0.7229125807827501
Energy: 0.7866460766710813
Energy: 0.7229125807813838
Energy: 0.6760976872582466
Energy: 0.8600754557931675
Energy: 0.7136821571685855
Energy: 0.8600754557918011
Energy: 0.8923578752007972
Energy: 0.7610184338439938
Energy: 0.6751003274978997
Energy: 0.7610184338433107
Energy: 0.6827963663016465
Energy: 0.8172363767223851
Energy: 0.6989983733217394
Energy: 0.8172363767223851
Energy: 0.6404558249069874
Energy: 0.7461327733220988
Energy: 0.9227466843697345
Energy: 0.7461327733234653
Energy: 0.7265806704494399
Energy: 0.8254680865879156
Energy: 0.6761914641064153
Energy: 0.8254680865872324
Energy: 1.063194340789284
Energy: 0.6941093097111163
Energy: 0.7562845718613357
Energy: 0.694109309713166

minimum gb energy = 0.6404558249069874 eV
minimum distance =  2.58777033942582 Angstroms
sigma value = 25


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

Energy: 0.9732450745367488
Energy: 0.7152618730084124
Energy: 0.8050798810680512
Energy: 0.7152618730092066
Energy: 0.7578926861506755
Energy: 0.9256422857516758
Energy: 0.7716942776825331
Energy: 0.9256422857516758
Energy: 0.7474206827973143
Energy: 0.7687440219264354
Energy: 0.8805835670894911
Energy: 0.7687440219264354
Energy: 0.730943531714187
Energy: 0.8865192625851009
Energy: 0.77165172988357
Energy: 0.8865192625858951
Energy: 0.8814138125625698
Energy: 0.7411236986244429
Energy: 0.7206987639583512
Energy: 0.7411236986236487
Energy: 0.7353957709151844
Energy: 0.9188107763297869
Energy: 0.7059330079116529
Energy: 0.9188107763297869
Energy: 0.728731105964742
Energy: 0.775278384167907
Energy: 0.7259431525584573
Energy: 0.775278384167907
Energy: 0.7459567321072401
Energy: 0.882606046815577
Energy: 0.7106717168294507
Energy: 0.8826060468163713
Energy: 0.7260147277818171
Energy: 0.8009637794236057
Energy: 0.7909222117907134
Energy: 0.8009637794236057
Energy: 0.737202162203938
Energy: 0.9191333349434824
Energy: 0.76283233190723
Energy: 0.9191333349442766
Energy: 0.978173163947817
Energy: 0.7866885677758404
Energy: 0.6599144521013766
Energy: 0.7866885677758404
Energy: 0.704622707388453
Energy: 0.863098898956104
Energy: 0.7685216308916847
Energy: 0.863098898956104
Energy: 0.8054264120961101
Energy: 0.7894754116520627
Energy: 0.9751835742293009
Energy: 0.7894754116512683
Energy: 0.7716742584331064
Energy: 0.9429011080200446
Energy: 0.7583338688469413
Energy: 0.9429011080208387
Energy: 0.9177516783023952
Energy: 0.7948734130228773
Energy: 0.7935248344033572
Energy: 0.7948734130228773
Energy: 0.8181004800974037
Energy: 0.8852390126500072
Energy: 0.8047839741062015
Energy: 0.8852390126500072
Energy: 0.7210585851396577
Energy: 0.7411726781367469
Energy: 0.8812519073847355
Energy: 0.7411726781375411
Energy: 0.7126413247813618
Energy: 0.885889982137845
Energy: 0.7355814922521204
Energy: 0.885889982137845
Energy: 0.8146329952984891
Energy: 0.7598681273384589
Energy: 0.8105839944508095
Energy: 0.7598681273392531
Energy: 0.712621604166731
Energy: 0.8727952431875315
Energy: 0.8034181408951001
Energy: 0.8727952431875315
Energy: 0.8300455788014518
Energy: 0.7734071129818919
Energy: 0.7266948970988761
Energy: 0.7734071129818919
Energy: 0.8677627187473383
Energy: 0.8429884695864828
Energy: 0.7347347504789812
Energy: 0.8429884695864828
Energy: 0.6708783805554595
Energy: 0.7923640155472257
Energy: 1.013884903593302
Energy: 0.7923640155472257
Energy: 0.7687011510628197
Energy: 0.8487155830566376
Energy: 0.70953343641281
Energy: 0.8487155830558433
Energy: 1.0131972586470113
Energy: 0.7326853299685407
Energy: 0.7520074831789487
Energy: 0.7326853300439586

minimum gb energy = 0.6599144521013766 eV
minimum distance =  2.57863545532809 Angstroms
sigma value = 9


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

Energy: 0.888084331378349
Energy: 0.7510194085482329
Energy: 0.856168122678481
Energy: 0.7510194085482329
Energy: 0.797841246643275
Energy: 0.9720403729900926
Energy: 0.8176116257339778
Energy: 0.9720403729900926
Energy: 0.7858296692851041
Energy: 0.8207949612285868
Energy: 1.0532014680708695
Energy: 0.8207949612285868
Energy: 0.7647064023578262
Energy: 0.9315160753177347
Energy: 0.8173312301520873
Energy: 0.9315160753186822
Energy: 0.7967077388930188
Energy: 0.7817157078634697
Energy: 0.7675517126943966
Energy: 0.7817157078634697
Energy: 0.772436135769618
Energy: 0.9251651131569107
Energy: 0.7748413391145136
Energy: 0.9251651131569107
Energy: 0.7042800530509676
Energy: 0.794088193672917
Energy: 0.7993360840030375
Energy: 0.794088193672917
Energy: 0.7782245789114604
Energy: 0.9319392081182458
Energy: 0.7719569096579331
Energy: 0.9319392081182458
Energy: 0.6925384767731925
Energy: 0.8285962123830296
Energy: 0.8928196712695582
Energy: 0.8285962123830296
Energy: 0.8161002697027657
Energy: 0.8807368853796707
Energy: 0.872208724296948
Energy: 0.8807368853787233
Energy: 0.89041620855384
Energy: 0.8803455674168965
Energy: 0.8563310048780705
Energy: 0.8803455674168965
Energy: 0.7979123495298955
Energy: 0.9940522482279954
Energy: 0.8518867052469187
Energy: 0.9940522482279954
Energy: 0.7820623432198739
Energy: 0.8466050179085721
Energy: 1.054246102537917
Energy: 0.8466050179076247
Energy: 0.805250236330747
Energy: 1.0119030399061448
Energy: 0.8125830673508763
Energy: 1.0119030399051971
Energy: 0.7972026962927438
Energy: 0.7817561150152037
Energy: 0.7681617830584216
Energy: 0.7817561150152037
Energy: 0.7722941530661166
Energy: 0.8825428618190138
Energy: 0.7173853427883683
Energy: 0.8825428618180663
Energy: 0.8055830019329595
Energy: 0.8127849351931257
Energy: 0.7986691263684282
Energy: 0.8127849351940731
Energy: 0.7517610573708848
Energy: 0.8603369889643723
Energy: 0.7727209039854156
Energy: 0.8603369889643723
Energy: 0.6916412309631641
Energy: 0.8282272623676775
Energy: 0.9376077215040677
Energy: 0.8282272623676775
Energy: 0.8161628415627717
Energy: 0.8007950971411235
Energy: 0.9907509900339037
Energy: 0.8007950971411235
Energy: 0.9780838773071007
Energy: 0.808149068424019
Energy: 0.802815087159561
Energy: 0.8081490684249665

minimum gb energy = 0.6916412309631641 eV
minimum distance =  2.59003926448426 Angstroms
sigma value = 25


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

Energy: 0.7654012382924232
Energy: 0.7887505976338531
Energy: 0.9144438247742386
Energy: 0.7887505976338531
Energy: 0.8848479263842243
Energy: 1.0116914631275518
Energy: 0.8642848467369275
Energy: 1.01169146312638
Energy: 0.8195927168483882
Energy: 0.8688895295674712
Energy: 0.9533375002159808
Energy: 0.8688895295674712
Energy: 0.8137018003821092
Energy: 1.0186322254086149
Energy: 0.8645214473772365
Energy: 1.0186322254086149
Energy: 0.7279083307384296
Energy: 0.8528003840756487
Energy: 0.8865955154179268
Energy: 0.8528003840756487
Energy: 0.8301938440156175
Energy: 1.0057705345532006
Energy: 0.818923310488115
Energy: 1.005770534552029
Energy: 0.7706807643783334
Energy: 0.8398115296045743
Energy: 0.7294095820859045
Energy: 0.8398115296045743
Energy: 0.8959512761459193
Energy: 0.8891821524506794
Energy: 0.846860229720521
Energy: 0.8891821524506794
Energy: 0.8181294980026178
Energy: 0.9015424205850526
Energy: 1.1448995329812346
Energy: 0.9015424205838808
Energy: 0.9134004724015689
Energy: 1.0073391012854205
Energy: 0.8279564832832496
Energy: 1.0073391012854205
Energy: 0.954227420230415
Energy: 0.9657523422540222
Energy: 0.8215816062873073
Energy: 0.9657523422540222
Energy: 0.894737386578602
Energy: 1.0185414811114133
Energy: 0.815009232505768
Energy: 1.0185414811114133
Energy: 0.8727871364508745
Energy: 0.8249930992594102
Energy: 0.7603772364125498
Energy: 0.8249930992594102
Energy: 0.8271963645810851
Energy: 0.8511245319148043
Energy: 0.8316815522971444
Energy: 0.8511245319148043
Energy: 0.7285243648974135
Energy: 0.8495919114169954
Energy: 0.894944037263889
Energy: 0.8495919114169954
Energy: 0.8480323217874537
Energy: 0.9512133333893816
Energy: 0.8936384320234838
Energy: 0.9512133333893816
Energy: 1.2039509583626975
Energy: 0.9812872903329939
Energy: 0.8201715716746755
Energy: 0.9812872903341657

minimum gb energy = 0.7279083307384296 eV
minimum distance =  2.59619605549271 Angstroms
sigma value = 17


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

Energy: 1.0977419042936376
Energy: 0.926670958664587
Energy: 0.9202618031011289
Energy: 0.9266709586652506
Energy: 0.9311255204501817
Energy: 1.0330768091187077
Energy: 0.9426347117532927
Energy: 1.0330768091187077
Energy: 0.774340759232332
Energy: 0.9267272507513914
Energy: 0.9888190924847943
Energy: 0.9267272507513914
Energy: 0.8525914134212527
Energy: 0.9736961826549664
Energy: 0.8954594840877091
Energy: 0.9736961826549664
Energy: 0.8101099383052225
Energy: 0.8681448083529859
Energy: 0.7995446619254938
Energy: 0.8681448083529859
Energy: 0.8862070702567123
Energy: 0.9907862111993988
Energy: 0.8319977125237203
Energy: 0.9907862112000624
Energy: 0.9157142504571867
Energy: 0.9125711000899087
Energy: 0.8306715193295523
Energy: 0.9125711000905724
Energy: 0.874592697119875
Energy: 1.0727357444787242
Energy: 0.8735945942959588
Energy: 1.0727357444787242
Energy: 0.9205552273823557
Energy: 0.9845623143960387
Energy: 1.0241817744747936
Energy: 0.9845623143953751
Energy: 0.9116801586979975
Energy: 0.9604856055568969
Energy: 0.9175159736262183
Energy: 0.9604856055568969
Energy: 0.8417497197573147
Energy: 0.9063948843186547
Energy: 0.8572658863529449
Energy: 0.9063948843186547
Energy: 0.8809394311320178
Energy: 0.8857552072444598
Energy: 0.7403761138440617
Energy: 0.8857552072444598
Energy: 0.9544440141718912
Energy: 0.8619508702938046
Energy: 0.7177163280699892
Energy: 0.861950870293141
Energy: 0.8823406575105215
Energy: 0.9248184320639609
Energy: 0.8563010449855433
Energy: 0.9248184320639609
Energy: 0.9103434795571897
Energy: 1.053711474224943
Energy: 1.155306171854718
Energy: 1.0537114742242792
Energy: 0.9715167026085874
Energy: 0.986506808591052
Energy: 1.1535889476465708
Energy: 0.9865068085917156
Energy: 1.080288441148771
Energy: 1.0537858428622824
Energy: 0.8844264733257966
Energy: 1.0537858428622824
Energy: 1.0653684188997157
Energy: 0.9096953210996996
Energy: 0.7624626728946471
Energy: 0.9096953210996996
Energy: 0.8968326031288789
Energy: 0.9477646887802865
Energy: 0.867325329293919
Energy: 0.9477646887802865
Energy: 0.7374689207588291
Energy: 0.8727713934275138
Energy: 0.8710755659669777
Energy: 0.8727713934275138
Energy: 0.7888935646513479
Energy: 0.9876649648355872
Energy: 0.9015742512948248
Energy: 0.9876649648355872
Energy: 0.8308965105017425
Energy: 0.8714596428910638
Energy: 0.8769696270477881
Energy: 0.8714596428923912
Energy: 0.9179753696950828
Energy: 1.0363164227694999
Energy: 0.9614169893060575
Energy: 1.0363164227701633
Energy: 0.9898654258401816
Energy: 0.9812873650798998
Energy: 0.9168690546126562
Energy: 0.9812873650798998
Energy: 0.8651007040783497
Energy: 1.0062511839967023
Energy: 0.8206003740832442
Energy: 1.0062511839960386
Energy: 0.7766737851297546
Energy: 0.8582492106738161
Energy: 0.8102452669591542
Energy: 0.8582492106744798
Energy: 0.8537990276504589
Energy: 1.016473709467025
Energy: 0.8749241750676863
Energy: 1.016473709467025
Energy: 0.7200006107095108
Energy: 0.8441167589051832
Energy: 0.8801700946370963
Energy: 0.8441167589058468
Energy: 0.9616768036728703
Energy: 1.0010277308441926
Energy: 1.062743914169258
Energy: 1.001027730843529
Energy: 1.0985862760497624
Energy: 0.9769345774177869
Energy: 0.918305972834842
Energy: 0.9769345774177869

minimum gb energy = 0.7177163280699892 eV
minimum distance =  2.59788746572349 Angstroms
sigma value = 53


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

Energy: 0.9802539755708406
Energy: 0.7981648240398795
Energy: 0.8202202561020177
Energy: 0.7981648240383518
Energy: 0.9429104518877882
Energy: 0.9357739520917249
Energy: 0.7782285897821537
Energy: 0.9357739520901971
Energy: 0.8200711840238473
Energy: 0.9990911185407739
Energy: 0.8112967700127687
Energy: 0.9990911185407739
Energy: 0.8957762715424864
Energy: 0.9750223039552469
Energy: 0.7796477234930144
Energy: 0.9750223039552469
Energy: 0.8162926289446782
Energy: 0.8087147318943423
Energy: 0.6432772064200015
Energy: 0.8087147318943423
Energy: 0.8645965838026163
Energy: 0.9314151514146052
Energy: 0.743103426282167
Energy: 0.9314151514146052
Energy: 0.9839531177511995
Energy: 0.9908632699855254
Energy: 0.8186432704165302
Energy: 0.9908632699855254
Energy: 1.0134256825237251
Energy: 1.0366142606935702
Energy: 0.8206100546657878
Energy: 1.036614260695098
Energy: 0.8843358339793963
Energy: 1.1136481312081623
Energy: 0.8122766701071099
Energy: 1.1136481312081623
Energy: 0.8302041700591051
Energy: 0.8061368743339781
Energy: 0.778405072711459
Energy: 0.8061368743339781
Energy: 0.8147153636051391
Energy: 0.8096956730603785
Energy: 0.7116248656389674
Energy: 0.809695673083295
Energy: 0.8641805711851284
Energy: 0.9293097624110113
Energy: 0.6453191588810214
Energy: 0.9293097624110113
Energy: 1.0131299793799928
Energy: 0.9969824283969791
Energy: 0.8199421436138712
Energy: 0.996982428398507

minimum gb energy = 0.6432772064200015 eV
minimum distance =  2.60431844896401 Angstroms
sigma value = 9


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

Energy: 0.9512761041267952
Energy: 0.9600803930417411
Energy: 0.9747189204565239
Energy: 0.9600803930383484
Energy: 0.9794394087058984
Energy: 1.0011396042430623
Energy: 1.0645874994734899
Energy: 1.0011396042430623
Energy: 0.7564559983106696
Energy: 0.9200155623721465
Energy: 0.8852792242076061
Energy: 0.9200155623715811
Energy: 0.8348552327343629
Energy: 0.935517762209763
Energy: 1.0044155706462956
Energy: 0.9355177622091976
Energy: 0.8199373187211855
Energy: 0.9071426177434039
Energy: 1.024597175562218
Energy: 0.9071426177434039
Energy: 0.9021681150860457
Energy: 1.0210899665776607
Energy: 1.0012619013922746
Energy: 1.0210899665776607
Energy: 1.059137965322215
Energy: 1.1151670386669823
Energy: 0.9802040671189476
Energy: 1.115167038667548
Energy: 1.0894907281560051
Energy: 1.0463313153851286
Energy: 0.988969307456054
Energy: 1.0463313153845633
Energy: 0.8738272284978882
Energy: 0.9431498097003638
Energy: 0.8169785441899019
Energy: 0.9431498097014948
Energy: 0.7285205126222541
Energy: 0.9035238448449942
Energy: 0.9480124006359602
Energy: 0.9035238448427323
Energy: 0.8500123297115922
Energy: 0.9626265291705646
Energy: 1.0900318730515264
Energy: 0.9626265291705646
Energy: 0.857047089840183
Energy: 1.0188921245964107
Energy: 0.9552484859967413
Energy: 1.0188921245998035
Energy: 1.0930053298840199
Energy: 1.0150939538027255
Energy: 0.9437244776858832
Energy: 1.0150939538021602
Energy: 1.0611027598034777
Energy: 0.9338126710968497
Energy: 0.8618017817469309
Energy: 0.9338126710968497
Energy: 1.0002448613617092
Energy: 0.9843172796105744
Energy: 0.8785354468338168
Energy: 0.9843172796105744
Energy: 0.8178028679577322
Energy: 0.9364729970273338
Energy: 0.7674057738725092
Energy: 0.9364729970273338
Energy: 0.9580611469700133
Energy: 0.970222431527011
Energy: 0.9653245565697263
Energy: 0.9702224315264455
Energy: 0.9756432949031008
Energy: 1.0286548997732903
Energy: 0.9519770238173245
Energy: 1.0286548997891232
Energy: 1.0629587043641882
Energy: 1.0182101763075462
Energy: 0.9790477496148877
Energy: 1.0182101763075462
Energy: 0.8844215106796116
Energy: 0.9219727738881841
Energy: 0.7585301915388496
Energy: 0.9219727738876187
Energy: 1.0296151071966904
Energy: 0.9138197552191814
Energy: 0.8354004851296467
Energy: 0.9138197552191814
Energy: 1.0014410564619485
Energy: 0.9123071224661192
Energy: 0.7577388799899211
Energy: 0.9123071224655538
Energy: 0.9950351783856491
Energy: 1.0147212704659407
Energy: 0.8840275695876857
Energy: 1.014721270466506
Energy: 1.006032316606437
Energy: 1.0460056711618586
Energy: 1.1107046625492607
Energy: 1.0460056711618586
Energy: 0.9919388284823519
Energy: 1.0464223143761828
Energy: 1.097261739895448
Energy: 1.046422314376748
Energy: 0.8175654194296054
Energy: 0.9543654080118021
Energy: 0.8908643240431149
Energy: 0.9543654080112366
Energy: 0.9478276633290578
Energy: 0.9079732406405405
Energy: 0.7284387328303054
Energy: 0.9079732406405405
Energy: 1.0799794922679107
Energy: 0.9456372509043668
Energy: 0.8656715860549009
Energy: 0.9456372509043668
Energy: 0.9532325665599362
Energy: 0.9231082925559748
Energy: 0.8571528338625451
Energy: 0.9231082925576712
Energy: 0.9839537132813113
Energy: 1.0406828019760601
Energy: 1.1299203869512617
Energy: 1.0406828019766257
Energy: 0.8630032722879648
Energy: 0.9390165920949239
Energy: 0.8864374370978795
Energy: 0.9390165920943585
Energy: 0.8692909008343509
Energy: 0.9657352272166208
Energy: 1.004655182112181
Energy: 0.9657352272171862
Energy: 0.765081283528662
Energy: 0.9089348892030681
Energy: 0.8190242706902875
Energy: 0.9089348892030681
Energy: 0.975110185453102
Energy: 0.9694286273053214
Energy: 0.9127139141029325
Energy: 0.9694286273053214
Energy: 0.9533525450888254
Energy: 1.0316683239052762
Energy: 0.9754668183920494
Energy: 1.0316683239052762

minimum gb energy = 0.7284387328303054 eV
minimum distance =  2.58949475220413 Angstroms
sigma value = 73


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

Energy: 0.9777114603692836
Energy: 0.9146148929599972
Energy: 0.9468808801309284
Energy: 0.9146148929608944
Energy: 0.940239700141572
Energy: 0.9912561200315284
Energy: 1.0713811633250043
Energy: 0.9912561200324255
Energy: 0.8371451518710812
Energy: 0.9400377211529896
Energy: 0.8506152304911281
Energy: 0.9400377211538866
Energy: 0.8056890668268505
Energy: 0.9298214393162737
Energy: 1.0139504418045364
Energy: 0.9298214393171709
Energy: 0.7882396016521018
Energy: 0.9757771172554496
Energy: 1.0438350811814952
Energy: 0.9757771172554496
Energy: 0.9313478547886314
Energy: 0.9907142526857322
Energy: 1.0495918794092107
Energy: 0.9907142526848349
Energy: 1.1483054110577813
Energy: 1.105260780488129
Energy: 0.9828797500900135
Energy: 1.105260780488129
Energy: 1.1644692501337068
Energy: 0.9749558547784344
Energy: 0.9802905743169856
Energy: 0.9749558547793316
Energy: 0.9859348929297682
Energy: 0.9188265973854824
Energy: 0.8980370511558874
Energy: 0.9188265973854824
Energy: 0.8277202566280866
Energy: 0.9454681420925947
Energy: 0.9683837394018188
Energy: 0.9454681420916975
Energy: 0.8729253596035901
Energy: 0.9496467271426368
Energy: 1.154659615816572
Energy: 0.9496467271426368
Energy: 0.8784629556514603
Energy: 1.0004413995226038
Energy: 0.8995922128521469
Energy: 1.000441399523501
Energy: 0.982956399419823
Energy: 0.9406244332621079
Energy: 0.8898678440949863
Energy: 0.9406244332621079
Energy: 0.8545526618537778
Energy: 0.9223380732869952
Energy: 0.8707133063712378
Energy: 0.9223380732869952
Energy: 1.009026085461215
Energy: 0.9713656841490885
Energy: 0.8266205515852638
Energy: 0.9713656841481914
Energy: 0.9848792471363541
Energy: 0.962651417838889
Energy: 0.8011757003308188
Energy: 0.962651417838889
Energy: 1.0618106537642833
Energy: 0.988613651814878
Energy: 0.9418781136030662
Energy: 0.988613651814878
Energy: 1.0021356721087966
Energy: 1.0898029728197924
Energy: 1.1452074376100123
Energy: 1.0898029728197924
Energy: 0.9500649169412207
Energy: 1.0115549747850017
Energy: 1.0333839074380033
Energy: 1.011554974785899
Energy: 0.8327384005847481
Energy: 0.9111816493131346
Energy: 0.9418937841580959
Energy: 0.9111816493131346
Energy: 0.948567025042649
Energy: 0.939654168331706
Energy: 0.8029750793088521
Energy: 0.939654168331706
Energy: 1.0698732220042502
Energy: 1.0079488283542593
Energy: 0.9522600869781295
Energy: 1.0079488283542593

minimum gb energy = 0.7882396016521018 eV
minimum distance =  2.58175870815084 Angstroms
sigma value = 7


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

Energy: 1.0870370764740154
Energy: 0.9272814065269614
Energy: 0.9707943726676489
Energy: 0.9272814065256927
Energy: 1.0633835197190815
Energy: 0.9857353061133576
Energy: 1.059604874138303
Energy: 0.9857353061127232
Energy: 0.8386484961309021
Energy: 0.9315243863024246
Energy: 0.7904669224301087
Energy: 0.9315243863017902
Energy: 0.7928153133898374
Energy: 0.8979677046968291
Energy: 0.9418089543364158
Energy: 0.8979677046968291
Energy: 0.8614362858658215
Energy: 0.9354724099381501
Energy: 0.863763626228458
Energy: 0.9354724099375157
Energy: 0.926957539240535
Energy: 0.9971361540017708
Energy: 0.986652717413849
Energy: 0.9971361539998678
Energy: 0.9765702200259524
Energy: 1.0523689673173633
Energy: 0.9403963724586554
Energy: 1.052368967318632
Energy: 1.00666776841927
Energy: 0.9333671134658833
Energy: 0.8795687408309121
Energy: 0.933367113464009
Energy: 0.9896962977861237
Energy: 0.9282038381674281
Energy: 0.7926921114516994
Energy: 0.9282038381686968
Energy: 0.8902655867796866
Energy: 0.9639261611878827
Energy: 0.8861866592387357
Energy: 0.963926161186614
Energy: 1.0372414885557733
Energy: 1.0347721521533366
Energy: 1.157947249855218
Energy: 1.0347721521546054
Energy: 0.9710168233881045
Energy: 0.9895522438305812
Energy: 0.9736873022604103
Energy: 0.989552243808378
Energy: 0.8492731683603283
Energy: 0.9319124293276139
Energy: 0.9302809618589825
Energy: 0.9319124293282482
Energy: 0.7955142957568284
Energy: 0.944031510729923
Energy: 0.7571469273886478
Energy: 0.9440315107286543
Energy: 0.9639755072328958
Energy: 0.8840738124390449
Energy: 0.7656463547235969
Energy: 0.8840779199900493
Energy: 1.0891823153698514
Energy: 1.069428136693842
Energy: 0.9737810735522956
Energy: 1.069428136699551
Energy: 1.1405209417255315
Energy: 1.0018018653249139
Energy: 1.0484574097060557
Energy: 1.001801865326817
Energy: 0.8421584367365249
Energy: 0.9494957112084125
Energy: 0.8228900667787794
Energy: 0.9494957112071437
Energy: 0.7927994202643713
Energy: 0.7820491400819063
Energy: 0.9906169529493783
Energy: 0.7820491400825407
Energy: 0.8578061523389695
Energy: 0.9234992671817712
Energy: 1.1260859335655296
Energy: 0.9234992671805023
Energy: 0.9320514166887708
Energy: 1.0405747984931348
Energy: 0.8614060486406517
Energy: 1.0405747984931348
Energy: 1.0082554240814554
Energy: 0.9778458873288266
Energy: 0.9405308221374822
Energy: 0.9778458873281921
Energy: 1.013485324099997
Energy: 0.9612065463724683
Energy: 0.8721080156612634
Energy: 0.9612065463724683
Energy: 0.9725614784315438
Energy: 0.8721158004049557
Energy: 0.7925216688141382
Energy: 0.8721158004068588
Energy: 0.8910922067248743
Energy: 0.9849896830252325
Energy: 0.7817786627987007
Energy: 0.9849896830258666
Energy: 0.9642859459133284
Energy: 1.0130235211693517
Energy: 0.9219212819948459
Energy: 1.013023521169986
Energy: 0.967904326802692
Energy: 1.0008725676422625
Energy: 0.9709532715886243
Energy: 1.000872567641628
Energy: 0.9123847684713856
Energy: 0.90787441698503
Energy: 0.9719739763038361
Energy: 0.90787441698503
Energy: 0.7915210683664675
Energy: 0.9456042959671808
Energy: 0.8194973244854312
Energy: 0.9456042959671808
Energy: 0.968868487719584
Energy: 0.9550750500913565
Energy: 0.7563921816617829
Energy: 0.9550750500926253
Energy: 1.156275140299722
Energy: 1.045184778194301
Energy: 0.9755970946091431
Energy: 1.045184778194301

minimum gb energy = 0.7563921816617829 eV
minimum distance =  2.60478727272382 Angstroms
sigma value = 29


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

Energy: 0.6444451650678822
Energy: 0.8347082125997147
Energy: 0.8119733533100391
Energy: 0.8347082126001567
Energy: 0.8212071617935544
Energy: 0.9609607737251908
Energy: 0.6653141602538379
Energy: 0.9609607737256326
Energy: 0.861230217578618
Energy: 0.9578202130925342
Energy: 0.8100115122186481
Energy: 0.9578202130927306
Energy: 0.816269275405757
Energy: 0.6623326299767069
Energy: 0.6635242448151445
Energy: 0.6623326299767069
Energy: 0.8114283923673654
Energy: 0.8112366007846188
Energy: 0.6470989627979675
Energy: 0.8112366007844223
Energy: 0.8149534005032824
Energy: 0.8379487253121674
Energy: 0.6472715290949493
Energy: 0.8379487253119463
Energy: 0.6502686739962362
Energy: 0.8823494519956718
Energy: 0.862068841638848
Energy: 0.8823494519956718
Energy: 0.7078334719272541
Energy: 0.9443527619166592
Energy: 0.8180651040674153
Energy: 0.9443527619171012
Energy: 0.6470011311313215
Energy: 0.8979837832318827
Energy: 0.8720916890745677
Energy: 0.8979837832314652

minimum gb energy = 0.6444451650678822 eV
minimum distance =  2.63456465760833 Angstroms
sigma value = 5


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

Energy: 0.8543984681056488
Energy: 1.066075824485522
Energy: 0.9944407205942996
Energy: 1.0660758244849229
Energy: 0.988491674565245
Energy: 0.8328577824181363
Energy: 0.9360038592934957
Energy: 0.8328577824181363
Energy: 0.8106054678755544
Energy: 0.9206581964108687
Energy: 0.7714353987196269
Energy: 0.9206581964102692
Energy: 0.6815819696381357
Energy: 0.8403521836517035
Energy: 0.9097991555875914
Energy: 0.840352183650505
Energy: 0.9864627518129615
Energy: 0.8676740546199779
Energy: 1.0041505049886392
Energy: 0.8676740546199779
Energy: 0.8871059346995799
Energy: 0.8683083865789438
Energy: 1.0323797267638988
Energy: 0.8683083865801423
Energy: 0.6698094225117184
Energy: 0.6746979792861739
Energy: 0.9667126625042246
Energy: 0.674697979283777
Energy: 0.6783802900343876
Energy: 0.9293250202317163
Energy: 0.8588001951623186
Energy: 0.9293250202317163
Energy: 0.982816541246835
Energy: 0.9504754395756012
Energy: 0.932750461810623
Energy: 0.9504754395756012
Energy: 0.7666930296655153
Energy: 1.0415174866812886
Energy: 0.8747521954903492
Energy: 1.0415174866818604
Energy: 0.971655099096958
Energy: 0.7504217092856073
Energy: 0.6614153208137823
Energy: 0.7504217092862064
Energy: 0.9490757642595525
Energy: 0.7942209091883045
Energy: 0.7372158820731189
Energy: 0.7942209091877053
Energy: 0.8600596676134541
Energy: 0.8428471325515952
Energy: 0.9607152229707697
Energy: 0.8428471325515952
Energy: 0.901587284893668
Energy: 0.9749434544939856
Energy: 0.773205492608953
Energy: 0.9749434544939856
Energy: 0.6846424618962855
Energy: 0.919786852727251
Energy: 0.8387525384357348
Energy: 0.9197868527266517
Energy: 0.6749393264392569
Energy: 0.6718528929146708
Energy: 0.9594073493545466
Energy: 0.67185289291527
Energy: 0.9898763368359463
Energy: 1.0868532700158136
Energy: 1.0858095426077783
Energy: 1.0868532700152145
Energy: 0.9359822203072541
Energy: 0.821761250179458
Energy: 0.9909899200877473
Energy: 0.8217612501788586
Energy: 0.76968624655709
Energy: 0.8973089091019949
Energy: 0.8156102732379549
Energy: 0.8973089091025942
Energy: 0.8990529112839677
Energy: 0.9227309731421773
Energy: 0.6796126318892723
Energy: 0.9227309731433758
Energy: 1.0504362213089815
Energy: 0.9185959617343116
Energy: 0.9245433818938651
Energy: 0.9185959617343116
Energy: 0.9754658315680543
Energy: 0.8221265238531202
Energy: 0.8541119541960366
Energy: 0.8221265238513226
Energy: 0.9660704363354524
Energy: 0.6707883847346342
Energy: 0.6900209230700901
Energy: 0.6707883847352334
Energy: 0.8610143979456858
Energy: 0.8392765253630812
Energy: 0.6818347205792071
Energy: 0.8392765253624819
Energy: 0.9412678227922743
Energy: 0.9604622293883128
Energy: 0.9798240330773478
Energy: 0.9604622293889121
Energy: 0.9248473602856506
Energy: 1.0470044898727462
Energy: 0.7665085292923266
Energy: 1.047004489872147
Energy: 0.6733160341497798
Energy: 0.8299289668434803
Energy: 0.973210759930424
Energy: 0.8299289668434803
Energy: 0.6761360113416562
Energy: 0.809241468291158
Energy: 1.064507332247426
Energy: 0.8092414682923564
Energy: 0.9249737128994067
Energy: 0.8411152279647461
Energy: 0.8578142051823575
Energy: 0.8411152279659445
Energy: 0.7953611139028671
Energy: 0.9911168472117646
Energy: 0.9001126776702187
Energy: 0.9911168472117646
Energy: 0.7760239432851164
Energy: 0.906623034504418
Energy: 0.6874146422471421
Energy: 0.9066230345050172
Energy: 0.9576242142672757
Energy: 0.671516412810895
Energy: 0.6722376849413894
Energy: 0.6715164128126927
Energy: 1.087901767946159
Energy: 0.881095234342224
Energy: 0.95953129707831
Energy: 0.881095234482365

minimum gb energy = 0.6614153208137823 eV
minimum distance =  2.56544395128166 Angstroms
sigma value = 1


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

Energy: 0.9757736152678486
Energy: 1.0653545674261224
Energy: 0.9891730745875619
Energy: 1.0653545674261224
Energy: 1.0519095536224972
Energy: 0.8348298897902775
Energy: 0.8703282575931853
Energy: 0.8348298897911061
Energy: 0.8197675307745872
Energy: 0.8699556749183928
Energy: 0.7878681260059528
Energy: 0.8699556749192212
Energy: 0.7153146842518348
Energy: 0.8553776688664299
Energy: 0.9597251474628293
Energy: 0.855377668862287
Energy: 0.9855309748179681
Energy: 0.9629211609767794
Energy: 1.1601715854479393
Energy: 0.9629211609767794
Energy: 0.8027987680124563
Energy: 0.8630189000582009
Energy: 1.157202835454419
Energy: 0.8630189000590296
Energy: 0.6528358691036235
Energy: 0.6541678561367943
Energy: 1.0074596221015057
Energy: 0.6541678561384514
Energy: 0.6925073601099861
Energy: 0.9214925018617834
Energy: 0.981050431704856
Energy: 0.9214925018617834
Energy: 1.048813521795509
Energy: 0.9236116372921142
Energy: 0.976107381374192
Energy: 0.9236116372921142
Energy: 0.836058311189241
Energy: 1.0069823853766506
Energy: 0.9240118899841622
Energy: 1.0069823853766506
Energy: 1.0414511995789206
Energy: 0.7576352650806405
Energy: 0.6974411344616259
Energy: 0.7576360547351249
Energy: 0.9871146945864073
Energy: 0.6259961461583483
Energy: 0.7481387158151332
Energy: 0.6259961461583483
Energy: 0.9007357727599734
Energy: 0.9198440043403305
Energy: 0.9171453891935315
Energy: 0.9198440043403305
Energy: 0.8097458511988516
Energy: 0.9544986667149209
Energy: 0.8659760515554938
Energy: 0.9544986667157495
Energy: 0.7170522055952658
Energy: 0.9138256462450766
Energy: 0.904409095834332
Energy: 0.9138256462442481
Energy: 0.7386201796096488
Energy: 0.8134978854523421
Energy: 1.0001701489990622
Energy: 0.8134978854523421
Energy: 0.9933970706974561
Energy: 0.9863404908011345
Energy: 1.1389943261282125
Energy: 0.9863404908003058
Energy: 0.8058090292660541
Energy: 0.7384275127026488
Energy: 1.060308458202944
Energy: 0.7384275127034774
Energy: 0.6557261789088817
Energy: 0.835383265723081
Energy: 1.0179275327658743
Energy: 0.8353832657222524
Energy: 0.6898793476926038
Energy: 0.9915250731327775
Energy: 0.9799616078516586
Energy: 0.9915250731327775
Energy: 0.8809211879899812
Energy: 1.0156494781194738
Energy: 0.9436997959497196
Energy: 1.0156494781203023
Energy: 0.8410147403875046
Energy: 0.768894279583975
Energy: 0.6489370336569918
Energy: 0.768894279583975
Energy: 1.0414493966287541
Energy: 0.701500910321479
Energy: 0.6490485554815766
Energy: 0.701500910321479
Energy: 0.9790169196951316
Energy: 0.6961231060381836
Energy: 0.7458360683450158
Energy: 0.6961231060381836

minimum gb energy = 0.6259961461583483 eV
minimum distance =  2.60078248062705 Angstroms
sigma value = 17


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

Energy: 0.9512962385827785
Energy: 0.7637035715717528
Energy: 1.0160573156296804
Energy: 0.7637034003968453
Energy: 1.1033248622018499
Energy: 0.7488210963038763
Energy: 0.7475795153383242
Energy: 0.7488210963043884
Energy: 0.8635469492580119
Energy: 0.9029158866592029
Energy: 0.7216596960188796
Energy: 0.902915886659715
Energy: 0.7935940560682408
Energy: 0.9652562494693145
Energy: 0.7709953207501306
Energy: 0.9652562494688025
Energy: 1.0043077985673876
Energy: 0.9299084075191281
Energy: 0.8775685667224816
Energy: 0.9299084075191281
Energy: 0.7061019208451942
Energy: 0.6867875939323272
Energy: 1.0325212762891078
Energy: 0.686787593931815
Energy: 0.6270185746780292
Energy: 0.6274583359731136
Energy: 1.0338257830841189
Energy: 0.6274583359726015
Energy: 0.7334965405623259
Energy: 0.6440554362776747
Energy: 0.9538717960265645
Energy: 0.6440554362781867
Energy: 0.9685073598110623
Energy: 0.8118866611506372
Energy: 1.074783121247448
Energy: 0.8118866611521736
Energy: 0.7168511372608126
Energy: 0.8686492514605054
Energy: 0.7786308451942843
Energy: 0.8686492514610175
Energy: 0.9618210621714989
Energy: 0.811748760570993
Energy: 0.6418946681878324
Energy: 0.811748760571505
Energy: 1.089293176877188
Energy: 0.6970894254817713
Energy: 0.8801373240604852
Energy: 0.6970894254792108
Energy: 1.0533809519037807
Energy: 0.7820859076603142
Energy: 0.7984557677167782
Energy: 0.782085907658778
Energy: 1.0058456698449776
Energy: 0.6357126275769345
Energy: 0.6370052269399303
Energy: 0.6357126275764224
Energy: 0.796907874942696
Energy: 0.8753664889394825
Energy: 0.6548207196772675
Energy: 0.8753664889405068
Energy: 0.9862580732481427
Energy: 0.9579054239125155
Energy: 1.0132197606061053
Energy: 0.9579054239125155
Energy: 0.6688752720995541
Energy: 0.9639625145715813
Energy: 0.872723922115757
Energy: 0.9639625145726056
Energy: 0.6377204481172678
Energy: 0.7396040326704342
Energy: 1.033484725491816
Energy: 0.7396040326694099
Energy: 0.6693554476139865
Energy: 0.637810356416951
Energy: 1.0861532550871063
Energy: 0.6378103564179751
Energy: 1.0330751778722285
Energy: 0.7311376898941857
Energy: 0.9518338914483099
Energy: 0.731137689768765
Energy: 0.744868206545361
Energy: 0.7390006169375766
Energy: 1.0187884791416097
Energy: 0.7390006169007511
Energy: 0.7441194011730133
Energy: 0.8871130109321461
Energy: 0.8364507808652926
Energy: 0.8871130109326583
Energy: 0.7691556387931956
Energy: 0.9034154944717464
Energy: 0.7965573389219416
Energy: 0.9034154944717464
Energy: 0.8744905454563375
Energy: 0.9243568629607076
Energy: 0.9790341937609404
Energy: 0.9243568629596833
Energy: 1.0419031763511266
Energy: 0.8500361511079669
Energy: 0.7031123025745413
Energy: 0.8500361511074549
Energy: 1.0557634850198938
Energy: 0.6292248077653982
Energy: 0.6291965903674448
Energy: 0.629224807764374
Energy: 0.9525322669345042
Energy: 0.6284754670097495
Energy: 0.7366063283237829
Energy: 0.6284754670087253
Energy: 1.0661831587205504
Energy: 0.889241220846522
Energy: 0.9312662465371677
Energy: 0.8892412208454977
Energy: 0.7769617270917194
Energy: 0.8799657993763137
Energy: 0.7184162982929839
Energy: 0.8799657993773379
Energy: 0.643132371511701
Energy: 0.7743096583225618
Energy: 0.9644668734940633
Energy: 0.7743096635611793
Energy: 0.8915733495722593
Energy: 0.8706877835707755
Energy: 1.0879181189411955
Energy: 0.8706877835717998
Energy: 0.7079150595485608
Energy: 0.8696268651861654
Energy: 1.0842097421687216
Energy: 0.8696268651877018
Energy: 0.6355349295184735
Energy: 0.6351867396543679
Energy: 1.0042580334830205
Energy: 0.6351867396559042
Energy: 0.6572691884311197
Energy: 0.8764859910054895
Energy: 0.7939358887036969
Energy: 0.8764859910039532
Energy: 1.020423788093698
Energy: 0.9259358738471106
Energy: 0.9853878095871303
Energy: 0.9259358738476229
Energy: 0.8722736095207488
Energy: 0.7607322436667162
Energy: 0.6662360348559228
Energy: 0.760732243665692
Energy: 1.030510433853322
Energy: 0.7380594172579195
Energy: 0.636010202677748
Energy: 0.7380594172568952
Energy: 1.080050197814329
Energy: 0.7861153815546222
Energy: 0.7913309394796353
Energy: 0.7861153815571829

minimum gb energy = 0.6270185746780292 eV
minimum distance =  2.59654846184327 Angstroms
sigma value = 89


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

Energy: 0.9851156079916807
Energy: 0.5980277998035776
Energy: 0.8257167389349841
Energy: 0.5980277997995577
Energy: 0.9812892393219432
Energy: 0.7961197408536943
Energy: 0.7885896124029561
Energy: 0.7961197408536943
Energy: 0.5709572377708608
Energy: 0.7503307405991143
Energy: 0.8134299934789236
Energy: 0.7503307405991143
Energy: 0.5722171698414841
Energy: 0.7494934217497904
Energy: 0.7900441160542633
Energy: 0.7494934217497904
Energy: 0.6173107199307243
Energy: 0.5780470264816424
Energy: 0.7809265649181141
Energy: 0.5780470264816424
Energy: 0.5781184577602891
Energy: 0.5783685811347224
Energy: 0.8031910222987071
Energy: 0.5783685811360625
Energy: 0.575857086305556
Energy: 0.5759651750456768
Energy: 0.7915746344710539
Energy: 0.5759651750443366
Energy: 0.5781064961647162
Energy: 0.5778061473696178
Energy: 1.0464265774446684
Energy: 0.5778061473696178
Energy: 0.7883191437228687
Energy: 0.796843203025603
Energy: 0.9888594881509714
Energy: 0.7968432030269431
Energy: 0.7816078009641085
Energy: 0.7509346207450276
Energy: 0.7886401300179725
Energy: 0.7509346207450276
Energy: 0.7905708493823642
Energy: 0.628641055069182
Energy: 0.5698581638003943
Energy: 0.628641055069182
Energy: 0.7768604744809362
Energy: 0.580214145978142
Energy: 0.618992063020484
Energy: 0.580214145978142
Energy: 0.7791080922713157
Energy: 0.577849560668883
Energy: 0.577823489844536
Energy: 0.5778495596550001
Energy: 0.7920695082641676
Energy: 0.5758680210950969
Energy: 0.5751171178482065
Energy: 0.5758680210950969
Energy: 0.9891903095367575
Energy: 0.577306686893925
Energy: 0.5776891682385773
Energy: 0.5773066868952648

minimum gb energy = 0.5698581638003943 eV
minimum distance =  2.6253559707498 Angstroms
sigma value = 13


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

Energy: 0.8675644857497168
Energy: 0.567902572001382
Energy: 0.8690619205768015
Energy: 0.56790257200419
Energy: 1.044416838490746
Energy: 0.5595005680629874
Energy: 0.6576294813570508
Energy: 0.5595005680629874
Energy: 0.9032349617677592
Energy: 0.7057929270049421
Energy: 0.6317064282876267
Energy: 0.7057929270049421
Energy: 0.6945878259025995
Energy: 1.024715971775569
Energy: 0.6726541491201622
Energy: 1.0247159717733225
Energy: 0.8730940631174218
Energy: 0.6863713667356658
Energy: 0.8250412476231411
Energy: 0.6863713667301007
Energy: 0.6556521694188698
Energy: 0.8256497668063467
Energy: 0.8223837834248081
Energy: 0.8256497668074699
Energy: 0.6535436264500174
Energy: 0.5587119671814634
Energy: 1.023519135976791
Energy: 0.5587119671848332
Energy: 0.8261567895540901
Energy: 0.8135068113030917
Energy: 0.9829376702711423
Energy: 0.813506811271692
Energy: 0.6237897981714545
Energy: 0.6187464100011301
Energy: 1.0488430496581576
Energy: 0.6187464099994454
Energy: 0.559863760483216
Energy: 0.5582819924528891
Energy: 0.9828785153819116
Energy: 0.5582819924517659
Energy: 0.61411950366986
Energy: 0.6416377498397188
Energy: 0.868349417717253
Energy: 0.6416377517674573
Energy: 0.826031255886106
Energy: 0.7371499947361243
Energy: 0.9959529238210794
Energy: 0.7371499947378092
Energy: 0.8268364538980814
Energy: 0.8707920081463459
Energy: 0.8272154650148884
Energy: 0.8707920081480307
Energy: 0.8594487166308615
Energy: 0.9492618776202364
Energy: 0.6954872780447577
Energy: 0.9492618776191132
Energy: 1.0182978377658134
Energy: 0.6146793722367605
Energy: 0.8637267238709856
Energy: 0.6146793722317059
Energy: 0.9750677331144944
Energy: 0.6135488455352948
Energy: 0.618526929583142
Energy: 0.6135488455336099
Energy: 1.0336005094060579
Energy: 0.5587688251709325
Energy: 0.5609387358663155
Energy: 0.5587688251681244
Energy: 0.8698872011935003
Energy: 0.5598987770435495
Energy: 0.6814242727830029
Energy: 0.5598987770682097
Energy: 1.0158371471381906
Energy: 0.5593027974465097
Energy: 0.701500848186479
Energy: 0.5593027974459481
Energy: 0.9627325575571223
Energy: 0.7047790500527867
Energy: 0.6276355368061933
Energy: 0.7047790500544716
Energy: 0.6927418622032493
Energy: 0.7076143789520072
Energy: 0.6692958850449849
Energy: 0.7076143789525687
Energy: 0.939100053569558
Energy: 0.8370453260936938
Energy: 0.822219454072244
Energy: 0.8370453260908856
Energy: 0.6595464713563303
Energy: 0.8278597005041944
Energy: 0.7865570680710916
Energy: 0.8278597005064409
Energy: 0.5595736261339623
Energy: 0.5577414252532781
Energy: 0.9878420694000415
Energy: 0.5577414252544014
Energy: 0.7686374818612244
Energy: 0.7330639906659732
Energy: 1.0062343932696174
Energy: 0.7330639906631651
Energy: 0.6266484188674677
Energy: 0.7308936644281286
Energy: 0.9910785191598943
Energy: 0.730893664427567
Energy: 0.5584230559232833
Energy: 0.5576112596291379
Energy: 0.9837214245421544
Energy: 0.5576112596257682
Energy: 0.6254075114616697
Energy: 0.5644706757409669
Energy: 0.8701666739511568
Energy: 0.5644706757392821
Energy: 0.8966405244606154
Energy: 0.7375142213477847
Energy: 1.0164838002919077
Energy: 0.7375142213466614
Energy: 0.6267277267140511
Energy: 0.8628637398509262
Energy: 0.8285996089938475
Energy: 0.8628637398486797
Energy: 0.8561390882068318
Energy: 0.8644024619664499
Energy: 0.6935438115277708
Energy: 0.8644024619653267
Energy: 0.9587227519071254
Energy: 0.7816600519845386
Energy: 0.9048331546859619
Energy: 0.7816600519862236
Energy: 1.0128965642330496
Energy: 0.6150716190595731
Energy: 0.6221154082731959
Energy: 0.6150716190511487
Energy: 1.0112497273231682
Energy: 0.557448522551103
Energy: 0.5583002241853557
Energy: 0.5574485225505413
Energy: 1.1147416096601654
Energy: 0.6740427991475072
Energy: 0.6831548938375128
Energy: 0.6740427991475072

minimum gb energy = 0.5574485225505413 eV
minimum distance =  2.6131223287464 Angstroms
sigma value = 37


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

Energy: 0.8414229291619874
Energy: 0.5899077631634047
Energy: 0.5717942374428341
Energy: 0.5899077631634047
Energy: 1.0472035411410208
Energy: 0.7683648207954215
Energy: 0.721077770530586
Energy: 0.7683648207963876
Energy: 0.8661192406293362
Energy: 0.6975407865283562
Energy: 0.6462674454080173
Energy: 0.6975407865283562
Energy: 0.8463581315865237
Energy: 0.9226446744470207
Energy: 0.8812741514107695
Energy: 0.9226446744470207
Energy: 0.9559854867905065
Energy: 0.9048753430280592
Energy: 0.6891965477345722
Energy: 0.9048753430280592
Energy: 0.6678874972053285
Energy: 0.6753821641183255
Energy: 0.8409177224046853
Energy: 0.6753821641192918
Energy: 0.570289878541245
Energy: 0.6704733741279628
Energy: 1.0080806115249046
Energy: 0.6704733741279628
Energy: 0.7889573672619722
Energy: 0.7973266994764808
Energy: 1.039118758321315
Energy: 0.7973266994764808
Energy: 0.7208162991490854
Energy: 0.769573153980574
Energy: 0.9946242093408637
Energy: 0.769573153980574
Energy: 0.5824877517549926
Energy: 0.5067970135632498
Energy: 1.0035083085443801
Energy: 0.5067970135622835
Energy: 0.7037497857096957
Energy: 0.7130676981462992
Energy: 0.7437803322364698
Energy: 0.7130676981453332
Energy: 0.7291306700631436
Energy: 0.7041590190206943
Energy: 1.0085069491544907
Energy: 0.7041590190467832
Energy: 0.7405457324050104
Energy: 0.8269922255044045
Energy: 0.8783961630212568
Energy: 0.8269922255034382
Energy: 0.8436382652633142
Energy: 0.9116965788594985
Energy: 0.8458649006215716
Energy: 0.9116965788585324
Energy: 0.6891965477345722
Energy: 0.858521657871189
Energy: 0.9229368335435557
Energy: 0.858521657871189
Energy: 0.9122807495109327
Energy: 0.6786606536076915
Energy: 0.6939171966561744
Energy: 0.6786606536067472
Energy: 1.0422645228587537
Energy: 0.7265659037416399
Energy: 0.5706603868007414
Energy: 0.7265659037416399
Energy: 1.039118758321315
Energy: 0.803005110071943
Energy: 0.8360313942316641
Energy: 0.803005110071943
Energy: 0.9946242093408637
Energy: 0.6221757070519304
Energy: 0.6248583462711089
Energy: 0.6221757070519304
Energy: 1.0464834428025802
Energy: 0.5710593059752976
Energy: 0.5740850487582667
Energy: 0.5710593059752976

minimum gb energy = 0.5067970135622835 eV
minimum distance =  2.61331358562694 Angstroms
sigma value = 25


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

Energy: 0.9718484467333784
Energy: 0.5228926830121258
Energy: 0.5416386024721561
Energy: 0.5228926830121258
Energy: 1.042113654142081
Energy: 0.6321798215419143
Energy: 0.6226686972537253
Energy: 0.6321798215411597
Energy: 0.921499414845966
Energy: 0.6308115349215583
Energy: 0.584231330435958
Energy: 0.6308115349208036
Energy: 0.6980265017954578
Energy: 0.8609868118637037
Energy: 0.7689158512055719
Energy: 0.8609868118637037
Energy: 0.9348930915166493
Energy: 0.7738772552388795
Energy: 0.7860271401923828
Energy: 0.773877255238125
Energy: 0.7413041965265833
Energy: 0.760817330899882
Energy: 0.7939549994190348
Energy: 0.760817330899882
Energy: 0.701422894251229
Energy: 0.8231423444396332
Energy: 0.9147380828420495
Energy: 0.8231423444403876
Energy: 0.8377765009029937
Energy: 0.8404451417466199
Energy: 0.8293014765981811
Energy: 0.8404451417466199
Energy: 0.5795030278706207
Energy: 0.5807808868555621
Energy: 0.9499081601065988
Energy: 0.5807808868548077
Energy: 0.5811635986530386
Energy: 0.5773972004653684
Energy: 1.0340786953905923
Energy: 0.5773972004646138
Energy: 0.6364471399124484
Energy: 0.5487537724842556
Energy: 0.8266558971489752
Energy: 0.5487537724850102
Energy: 0.5078710163508312
Energy: 0.5588752134911309
Energy: 1.0313741815245685
Energy: 0.5588752134881129
Energy: 0.521117976884151
Energy: 0.45908604138991876
Energy: 1.0233624476216978
Energy: 0.45908604138991876
Energy: 0.6361924963601273
Energy: 0.5537357716555622
Energy: 0.894290211112655
Energy: 0.5537357785525058
Energy: 0.5926787427606489
Energy: 0.6237162521003956
Energy: 0.9523484521362909
Energy: 0.6237162521003956
Energy: 0.6788447694598044
Energy: 0.7356652245397317
Energy: 0.9217959174869381
Energy: 0.7356652245397317
Energy: 0.834544456092833
Energy: 0.8236384142178175
Energy: 0.9362475743015793
Energy: 0.8236384142178175
Energy: 0.5894135395233805
Energy: 0.8161700568282881
Energy: 0.835808711718762
Energy: 0.8161700568275334
Energy: 0.8337285469963857
Energy: 0.7470986818163906
Energy: 0.7518662157669727
Energy: 0.7470986818163906
Energy: 0.9828892858711672
Energy: 0.8178387861709195
Energy: 0.741587547337744
Energy: 0.8178387861701649
Energy: 0.8280477338891181
Energy: 0.6555714497684145
Energy: 0.6212060950372058
Energy: 0.6555714497684145
Energy: 0.9464242812002616
Energy: 0.6290420172478802
Energy: 0.5030070232483417
Energy: 0.6290420172478802
Energy: 1.0103291380091497
Energy: 0.5413937540054032
Energy: 0.6851436773156419
Energy: 0.5413937540054032
Energy: 0.8284348024238071
Energy: 0.5447345287582049
Energy: 0.5403347353994111
Energy: 0.5447345287589596
Energy: 1.034860955481822
Energy: 0.46608466934106796
Energy: 0.466740496293908
Energy: 0.4660846693418225
Energy: 0.9296369502910082
Energy: 0.5425609275287706
Energy: 0.5115558025266278
Energy: 0.5425609275287706

minimum gb energy = 0.45908604138991876 eV
minimum distance =  2.61964232669158 Angstroms
sigma value = 41


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

Energy: 0.9864738062322668
Energy: 0.44259192298386474
Energy: 0.48112788347975777
Energy: 0.4425919229807719
Energy: 1.0296361286047533
Energy: 0.5613753123774006
Energy: 0.5216852233994076
Energy: 0.5613753123755449
Energy: 0.9112291218393311
Energy: 0.5645355358429827
Energy: 0.5206346374926937
Energy: 0.5645355358362064
Energy: 0.7616414099280576
Energy: 0.8345962205477196
Energy: 0.7579946364525804
Energy: 0.8345962205471011
Energy: 0.9627740568764608
Energy: 0.7584424371551567
Energy: 0.7084086019600515
Energy: 0.7584424371557752
Energy: 0.7686817531566161
Energy: 0.7082387849093822
Energy: 0.6935084242423781
Energy: 0.7082387849093822
Energy: 0.8006741604971719
Energy: 0.7806973321300857
Energy: 0.8910735101906547
Energy: 0.7806973321294671
Energy: 0.8348138175097365
Energy: 0.8195448619962361
Energy: 0.6592883959155184
Energy: 0.8195448619956176
Energy: 0.6146107906938629
Energy: 0.7081010264899086
Energy: 0.8496057075278556
Energy: 0.7081010264899086
Energy: 0.6147673365016245
Energy: 0.7127944039392432
Energy: 0.9860631002263995
Energy: 0.7127944039398618
Energy: 0.5382424610768028
Energy: 0.558299154983695
Energy: 0.8741280597580251
Energy: 0.5582991537390604
Energy: 0.48868971674235884
Energy: 0.5643109806913976
Energy: 0.963352860439853
Energy: 0.5643109806889234
Energy: 0.5804697691803562
Energy: 0.6216055798753534
Energy: 0.9633333894104751
Energy: 0.6216055798753534
Energy: 0.48099163913186044
Energy: 0.4848683130143311
Energy: 0.8744585833752431
Energy: 0.48486831301247535
Energy: 0.4202384494330138
Energy: 0.4208878876082024
Energy: 1.0250935408491155
Energy: 0.4208878876057281
Energy: 0.48872835065670084
Energy: 0.48278412120205566
Energy: 0.9232142734317393
Energy: 0.4827841212032928
Energy: 0.5879453420813427
Energy: 0.48395899147753974
Energy: 0.9281489388337845
Energy: 0.48395899147630256
Energy: 0.4884919676975775
Energy: 0.5793221005098661
Energy: 0.928293063127344
Energy: 0.5793221005098661
Energy: 0.5254830932469666
Energy: 0.5561467648067734
Energy: 0.7987928073101788
Energy: 0.5561467650126753
Energy: 0.7217808114991884
Energy: 0.7245973382125916
Energy: 0.7683951669151405
Energy: 0.7245973382119729
Energy: 0.6591950031457405
Energy: 0.7501322254671977
Energy: 0.8379825861041328
Energy: 0.7501322254671977
Energy: 0.6971986993554077
Energy: 0.7499153468608535
Energy: 0.764330569509293
Energy: 0.7499153468608535
Energy: 0.8315256676549009
Energy: 0.7450477382541602
Energy: 0.7685340095297271
Energy: 0.7450477382541602
Energy: 0.6601391987741938
Energy: 0.7652449127903987
Energy: 0.6977300866661533
Energy: 0.7652449127910173
Energy: 0.8497684860318006
Energy: 0.7082312037503464
Energy: 0.5557206395581472
Energy: 0.7082312037509649
Energy: 0.8464246293329594
Energy: 0.7230210776829871
Energy: 0.6942633634213629
Energy: 0.7230210776836058
Energy: 0.8635521386005907
Energy: 0.5661304185162965
Energy: 0.5262102119329501
Energy: 0.5661304185973021
Energy: 0.9609378358333986
Energy: 0.5657522871276235
Energy: 0.48767990931079913
Energy: 0.5657522871288607
Energy: 0.9047540875262007
Energy: 0.4834075809315824
Energy: 0.5881634372707503
Energy: 0.483407580932201
Energy: 0.8466717588667925
Energy: 0.48323939299951285
Energy: 0.48843589544325566
Energy: 0.48323939299951285
Energy: 0.9730429271370439
Energy: 0.4204474290503023
Energy: 0.42029541554771055
Energy: 0.4204474290484466
Energy: 0.9893377516195987
Energy: 0.4845607931735025
Energy: 0.48061079444432064
Energy: 0.484560794529453

minimum gb energy = 0.4202384494330138 eV
minimum distance =  2.6260402012595 Angstroms
sigma value = 15


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

Energy: 0.8525697568862849
Energy: 0.4085567630616877
Energy: 0.4455764511240617
Energy: 0.4085567605286117
Energy: 1.0303719051101983
Energy: 0.5156605377684264
Energy: 0.4759386627833811
Energy: 0.5156605377689504
Energy: 0.9166250461701948
Energy: 0.5165649870230482
Energy: 0.4757379781635844
Energy: 0.5165649870240963
Energy: 0.8543819708685699
Energy: 0.6712244008052853
Energy: 0.6337889953950826
Energy: 0.6712244008042373
Energy: 0.9401509485325001
Energy: 0.6901918256503237
Energy: 0.6082034322367295
Energy: 0.6901918256513717
Energy: 0.8168925414135213
Energy: 0.6548169258619077
Energy: 0.6235868778416823
Energy: 0.6548169258624317
Energy: 0.6730247517141931
Energy: 0.7489747599543173
Energy: 0.7512618789208432
Energy: 0.7489747599527452
Energy: 0.862572269163597
Energy: 0.7572567022260703
Energy: 0.5856211469681922
Energy: 0.7572567022250223
Energy: 0.6881832794347661
Energy: 0.6714447117023512
Energy: 0.7532732816950397
Energy: 0.6714447117013032
Energy: 0.6875531273683482
Energy: 0.6797468774061357
Energy: 0.8766913625926975
Energy: 0.6797468774077078
Energy: 0.6601071985215434
Energy: 0.6564616514552761
Energy: 0.7617626993004383
Energy: 0.656461651454752
Energy: 0.5034137122620053
Energy: 0.6544783415554664
Energy: 0.8836292064642327
Energy: 0.6544783415559904
Energy: 0.6248721748529608
Energy: 0.6650304943953387
Energy: 0.8986444001118022
Energy: 0.6650304943953387
Energy: 0.4855713437049734
Energy: 0.5104719572656192
Energy: 0.7626834504810647
Energy: 0.510471968225402
Energy: 0.44605196089259064
Energy: 0.5137251762017427
Energy: 0.9727979538614798
Energy: 0.5137251762012186
Energy: 0.5290290023802833
Energy: 0.5672013562832633
Energy: 0.8828018020654352
Energy: 0.5672013562832633
Energy: 0.4494191849006391
Energy: 0.44332517990933884
Energy: 0.9381989018415293
Energy: 0.44332517990514664
Energy: 0.3896181739234157
Energy: 0.3896147678133401
Energy: 1.0169014394467764
Energy: 0.389614767811768
Energy: 0.4486231571139574
Energy: 0.442060033563122
Energy: 0.8806622552120156
Energy: 0.44206003356207396
Energy: 0.5302537201081777
Energy: 0.5675764978486438
Energy: 0.9359819083877112
Energy: 0.5675764978439278
Energy: 0.4442279235200862
Energy: 0.5090358902288723
Energy: 0.9778459472315155
Energy: 0.5090358902293963
Energy: 0.5100842888778255
Energy: 0.5084135740922043
Energy: 0.8554105781093103
Energy: 0.5084135710306757
Energy: 0.6240709283753916
Energy: 0.6604030630449869
Energy: 0.8333239655693074
Energy: 0.6604030630449869
Energy: 0.5874429693193142
Energy: 0.6801401563537626
Energy: 0.8680521114368237
Energy: 0.6801401563521904
Energy: 0.6314970610918011
Energy: 0.7046185883776247
Energy: 0.6693168730348095
Energy: 0.7046185883771008
Energy: 0.7453809945377338
Energy: 0.7218751640983799
Energy: 0.8780265242989033
Energy: 0.7218751640989038
Energy: 0.608262053577717
Energy: 0.7104897496044873
Energy: 0.7550820757648364
Energy: 0.7104897496044873
Energy: 0.9095951684165947
Energy: 0.7505614202863088
Energy: 0.6706308942151921
Energy: 0.7505614202857849
Energy: 0.7706755291434904
Energy: 0.709443133116139
Energy: 0.7495656930787951
Energy: 0.709443133116139
Energy: 0.752795981586347
Energy: 0.6550605951623866
Energy: 0.6522539798083176
Energy: 0.6550605951623866
Energy: 0.9765462380846753
Energy: 0.6730771689713452
Energy: 0.5028442723863564
Energy: 0.6730771689718691
Energy: 0.7634799575515133
Energy: 0.71052212074102
Energy: 0.6350146485499262
Energy: 0.7105221207425921
Energy: 0.8812614382725569
Energy: 0.5175021431445005
Energy: 0.5101036062077656
Energy: 0.5175021437154467
Energy: 1.0200581385363672
Energy: 0.3915722785433746
Energy: 0.47557636663337294
Energy: 0.3915722785800563
Energy: 0.9509238930124168
Energy: 0.5800758411305985
Energy: 0.5395350175318648
Energy: 0.5800758411054454
Energy: 0.9739824263969465
Energy: 0.39158478839137284
Energy: 0.392506148701623
Energy: 0.39158478839032473
Energy: 0.9493032043744114
Energy: 0.3917149653303115
Energy: 0.3936670034813391
Energy: 0.3917149653324076

minimum gb energy = 0.389614767811768 eV
minimum distance =  2.61014944923587 Angstroms
sigma value = 85


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

Energy: 0.9082940786341964
Energy: 0.38345682736417974
Energy: 0.39448997430061744
Energy: 0.3834568273646342
Energy: 1.0205706331962066
Energy: 0.3510312503820437
Energy: 0.4273307840853078
Energy: 0.3510312503806803
Energy: 0.8490946016379317
Energy: 0.46414116002757777
Energy: 0.40444459504188685
Energy: 0.46414115999623895
Energy: 0.745293414538079
Energy: 0.48101472270700163
Energy: 0.5565683136722714
Energy: 0.48101472270700163
Energy: 0.9395686352817229
Energy: 0.5021053990672639
Energy: 0.5225940741291587
Energy: 0.5021053991731178
Energy: 0.7246182529789831
Energy: 0.5882206516852807
Energy: 0.5579575474282629
Energy: 0.5882206516852807
Energy: 0.7757244461519324
Energy: 0.6476310253192192
Energy: 0.6920171201420402
Energy: 0.6476310253192192
Energy: 0.8695205095826954
Energy: 0.6397436337460649
Energy: 0.5181286485237189
Energy: 0.6397436337465192
Energy: 0.7277293510844164
Energy: 0.6397566984054881
Energy: 0.6718680043053399
Energy: 0.6397566984054881
Energy: 0.7265672120534413
Energy: 0.6449224176237246
Energy: 0.7847662634762482
Energy: 0.6449224176232702
Energy: 0.6709147822269665
Energy: 0.6059481930757743
Energy: 0.6680795111727238
Energy: 0.6059481930753198
Energy: 0.594053863397886
Energy: 0.6079603734322722
Energy: 0.7842852744485961
Energy: 0.6079603734318176
Energy: 0.6653736003622107
Energy: 0.6199739374433804
Energy: 0.7982046589717303
Energy: 0.6199739374433804
Energy: 0.5791307715456043
Energy: 0.5784486310294721
Energy: 0.6682184947743524
Energy: 0.5784486310299267
Energy: 0.4460277142452911
Energy: 0.5806698487346376
Energy: 0.9001139752630295
Energy: 0.5806698487346376
Energy: 0.5607143269029333
Energy: 0.48174175365235117
Energy: 0.7809969188161828
Energy: 0.4817417536514422
Energy: 0.4459365787418371
Energy: 0.4668089468328201
Energy: 0.8402539182331552
Energy: 0.46680894682736634
Energy: 0.3984114845309146
Energy: 0.46161390463159757
Energy: 0.9719656847904217
Energy: 0.46161390463159757
Energy: 0.468172123282564
Energy: 0.3963670046149289
Energy: 0.8907933656033525
Energy: 0.3963670052945293
Energy: 0.3933696273002822
Energy: 0.39707824810766246
Energy: 0.8948451363939572
Energy: 0.3970782481035721
Energy: 0.3505011861499161
Energy: 0.3503509520352155
Energy: 1.0063262906452453
Energy: 0.350350952034761
Energy: 0.3937729664356359
Energy: 0.3937543247541651
Energy: 0.9116347163661429
Energy: 0.39375432364935226
Energy: 0.4735304364057617
Energy: 0.394842214152905
Energy: 0.9359428854022008
Energy: 0.3948422113295381
Energy: 0.40036921650843654
Energy: 0.4634971040163122
Energy: 0.971307090833313
Energy: 0.4634971040304013
Energy: 0.4452002068598312
Energy: 0.4543512515013655
Energy: 0.7443163403245009
Energy: 0.4543512464701703
Energy: 0.5565734702034351
Energy: 0.483852004861817
Energy: 0.9356046407067848
Energy: 0.4838520048727246
Energy: 0.5561661413149862
Energy: 0.5873496537927223
Energy: 0.8267818769724035
Energy: 0.5873496537922679
Energy: 0.6780559085625397
Energy: 0.6205155524278008
Energy: 0.7459719125319619
Energy: 0.6205155524278008
Energy: 0.6719599795641946
Energy: 0.6607635626613583
Energy: 0.9131302372992385
Energy: 0.6607635626613583
Energy: 0.6699945854830149
Energy: 0.6096582795594221
Energy: 0.725389106413547
Energy: 0.6096582795589675
Energy: 0.8073162242135904
Energy: 0.6892561469272626
Energy: 0.5920618964334522
Energy: 0.6892561469272626
Energy: 0.6705102197338457
Energy: 0.6956688808952011
Energy: 0.8235166362680717
Energy: 0.6956688808956556
Energy: 0.7821064940826458
Energy: 0.6093959878432552
Energy: 0.6126557222502299
Energy: 0.6093959878432552
Energy: 0.9130511979930617
Energy: 0.6343207719757191
Energy: 0.6128995985990727
Energy: 0.6343207719766281
Energy: 0.6665332186189179
Energy: 0.6427757546449523
Energy: 0.7288890222945655
Energy: 0.6427757546440434
Energy: 0.8691060446133649
Energy: 0.5874109456880072
Energy: 0.5330089433742956
Energy: 0.5874109456875528
Energy: 0.882197344115016
Energy: 0.4844333645784805
Energy: 0.5570147148886271
Energy: 0.4844333645871158
Energy: 0.8280171692707688
Energy: 0.3507107988447645
Energy: 0.44563354449250997
Energy: 0.35071080301053675
Energy: 0.9696253041043091
Energy: 0.4633687790882984
Energy: 0.3996533646854408
Energy: 0.4633687790882984
Energy: 0.8930965886899799
Energy: 0.394924479675824
Energy: 0.4738086539103078
Energy: 0.394924479675824
Energy: 0.828515670950021
Energy: 0.3937652625892047
Energy: 0.3938276958426705
Energy: 0.39376526257104594
Energy: 1.006376083479801
Energy: 0.3496973664764537
Energy: 0.35004328375587906
Energy: 0.3496973664764537
Energy: 0.8393768103940813
Energy: 0.39773285902236
Energy: 0.3935675300218571
Energy: 0.3977328590219055

minimum gb energy = 0.3496973664764537 eV
minimum distance =  2.62915804983825 Angstroms
sigma value = 113


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

Energy: 0.013510763262097252
Energy: 0.01451995399790313
Energy: 0.7607154651709178
Energy: 0.014519953998233106
Energy: 0.014220072900034221
Energy: 0.07581155588849255
Energy: 0.4524624223711016
Energy: 0.07581155588849255
Energy: 0.013959340380038094
Energy: 0.07450296623643067
Energy: 0.4516299342013209
Energy: 0.07450296623643067
Energy: 0.014883608025014454
Energy: 0.07593863324838067
Energy: 0.4539257099634507
Energy: 0.0759386332476819
Energy: 0.45341663599250814
Energy: 0.07562012785047859
Energy: 0.45549983476109396
Energy: 0.0756201278501486
Energy: 0.013974314873111885
Energy: 0.07431199547395753
Energy: 0.45110178338553314
Energy: 0.07431199547430692

minimum gb energy = 0.013510763262097252 eV
minimum distance =  2.84493083976848 Angstroms
sigma value = 1