Model name: model_name=EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.147199973464012
cohesive_energy=6.820536450052486
mass=95.95
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: 0.01740512164641425
Energy: 0.017846389449587028
Energy: 4.615130550539018
Energy: 0.017846389449587028
Energy: 0.017846389449587028
Energy: 0.017723595093718545
Energy: 1.2696887191266115
Energy: 0.017723595093718545
Energy: 4.615130550539018
Energy: 1.2696887191306572
Energy: 1.2784020248962205
Energy: 1.2696887191273931
Energy: 0.017846389449587028
Energy: 0.017723595093718545
Energy: 1.2696887191266115
Energy: 0.01772359509454608

minimum gb energy = 0.01740512164641425 eV
minimum distance =  2.72241723486031 Angstroms
sigma value = 1


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

Energy: 2.26967947493798
Energy: 2.3095301099638306
Energy: 3.816724032266231
Energy: 2.3095301099638306
Energy: 2.3556880180840376
Energy: 1.9429475255688795
Energy: 1.5292428810962888
Energy: 1.9429475255688795
Energy: 2.6693980549321044
Energy: 1.5247289240173063
Energy: 1.4775820140580669
Energy: 1.5247289240173063
Energy: 2.098382760363169
Energy: 2.003786256561431
Energy: 1.524993387635785
Energy: 2.003786256561431
Energy: 2.1104330316058015
Energy: 1.9823617146597439
Energy: 2.0984071729815814
Energy: 1.9823617146597439
Energy: 2.311424307453863
Energy: 1.8526631902993256
Energy: 1.4778626156111683
Energy: 1.8526631902993256
Energy: 1.7568516284163178
Energy: 2.0187544854891106
Energy: 1.4783507970153122
Energy: 2.018754485490114
Energy: 1.4970653117015784
Energy: 1.7900482475928294
Energy: 2.06926536837488
Energy: 1.7900482475928294
Energy: 1.7764450121734274
Energy: 1.982497050526849
Energy: 2.012012901405063
Energy: 1.982497050526849
Energy: 2.3830819099472405
Energy: 2.2233910421445944
Energy: 1.8228692426071205
Energy: 2.2233910421445944
Energy: 1.4863635243528477
Energy: 1.9966397376981864
Energy: 2.02011539938609
Energy: 1.9966397376981864
Energy: 1.484554697648945
Energy: 1.4871578480148966
Energy: 3.054160072363548
Energy: 1.4871578480148966
Energy: 1.806586797152379
Energy: 2.069787930012385
Energy: 2.0953263151792
Energy: 2.069787930013389
Energy: 1.5119266118691082
Energy: 2.0280031052429055
Energy: 2.1710784352714585
Energy: 2.0280031052419023
Energy: 1.5105424597430666
Energy: 1.8791645038405669
Energy: 2.3124614042346443
Energy: 1.8791645038395632
Energy: 1.5112561972489007
Energy: 1.8881911744468403
Energy: 2.313930715169282
Energy: 1.8881911744458366
Energy: 1.5125980239655694
Energy: 2.0288463408661275
Energy: 2.2102594022090902
Energy: 2.0288463408651243
Energy: 1.806539050480288
Energy: 2.028887349290569
Energy: 2.096836236572381
Energy: 2.0288873492895654
Energy: 1.4895308630579993
Energy: 1.485163095950765
Energy: 3.0669156364379555
Energy: 1.4851630959517683
Energy: 1.4861765658254888
Energy: 1.9967313298520133
Energy: 1.8145645264488115
Energy: 1.9967313298530172
Energy: 2.4616720975273254
Energy: 1.9554731052598777
Energy: 1.8159196840292056
Energy: 1.9554731052598777
Energy: 1.7532793094691754
Energy: 1.8797400568704847
Energy: 2.0132781270864184
Energy: 1.8797400568714882
Energy: 1.8167751497205313
Energy: 1.7390023765901388
Energy: 1.7709337141037542
Energy: 1.7390023765911424
Energy: 2.022899048386718
Energy: 1.9824997657075893
Energy: 1.4772556524099096
Energy: 1.9824997657075893
Energy: 2.320579362129571
Energy: 1.852905553301255
Energy: 1.4779443153639806
Energy: 1.852905553302259
Energy: 2.151615180910143
Energy: 1.9866056726532308
Energy: 2.0983368803492533
Energy: 1.9866056726542343
Energy: 2.101142955336654
Energy: 1.9941883148144128
Energy: 1.5251080060431035
Energy: 1.9941883148154167
Energy: 2.6696128975856053
Energy: 1.5234484529431633
Energy: 1.4783256461596388
Energy: 1.5234484529431633
Energy: 2.426175370185554
Energy: 1.9433494695283895
Energy: 1.55926390324864
Energy: 1.9433494695293934
Energy: 2.2759952952998743
Energy: 2.0756300564329724
Energy: 1.5239781476176717
Energy: 2.0756300564329724
Energy: 2.3657672039850306
Energy: 1.954509559419305
Energy: 1.5239568541811597
Energy: 1.9545095594203086
Energy: 2.3123756006860563
Energy: 1.7616639008814121
Energy: 1.4774821536267315
Energy: 1.7616639008814121
Energy: 2.1117310196603705
Energy: 1.982009800526487
Energy: 1.5244973749173292
Energy: 1.982009800526487

minimum gb energy = 1.4772556524099096 eV
minimum distance =  2.35307798029826 Angstroms
sigma value = 1


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

Energy: 2.3961114444817984
Energy: 2.410015805536181
Energy: 3.9308605263817937
Energy: 2.410015805536181
Energy: 2.1425163288576465
Energy: 2.0378118321412484
Energy: 1.7718803454709502
Energy: 2.0378118321412484
Energy: 2.1426508693589232
Energy: 1.5678536001898675
Energy: 1.5691202045583008
Energy: 1.5678536001887233
Energy: 1.531729468536853
Energy: 1.9767960253982622
Energy: 1.6899456107671016
Energy: 1.976796025397118
Energy: 1.531446388229095
Energy: 1.9767153254744594
Energy: 2.362902951066826
Energy: 1.976715325473315
Energy: 2.142422785009947
Energy: 1.5411316683258747
Energy: 1.5418248755442971
Energy: 1.5411316683258747
Energy: 1.5440707419345596
Energy: 2.1007909939319904
Energy: 1.5415446254723786
Energy: 2.100790993930846
Energy: 1.5399463911158398
Energy: 1.5395558034205288
Energy: 2.2993241514965734
Energy: 1.5395558034193844
Energy: 1.5445776644475862
Energy: 1.820638955943591
Energy: 2.150808173438322
Energy: 1.820638955943591
Energy: 2.3613842493584416
Energy: 1.5338465800994527
Energy: 1.5311396978236482
Energy: 1.5338465800983083
Energy: 1.5709666766916646
Energy: 1.9892539670603495
Energy: 2.1506202350030352
Energy: 1.9892539670603495
Energy: 1.5666406946371088
Energy: 1.7753914297265732
Energy: 2.8633215199394124
Energy: 1.7753914297265732
Energy: 1.6824181023778895
Energy: 2.03316022735361
Energy: 2.300087997112747
Energy: 2.033160227352465
Energy: 1.6824181023778895
Energy: 2.028424074180795
Energy: 2.300085916369305
Energy: 2.028424074180795
Energy: 1.5664406031509785
Energy: 1.7750764558244099
Energy: 2.863035075738352
Energy: 1.7750764558232657
Energy: 1.5710446030865843
Energy: 1.9892849283235652
Energy: 2.150399741445487
Energy: 1.9892849283235652
Energy: 2.361384249356153
Energy: 1.532052842840648
Energy: 1.531154883584713
Energy: 1.532052842840648
Energy: 1.5439282077966818
Energy: 1.8205466732975792
Energy: 2.1506078068252195
Energy: 1.820546673299868
Energy: 1.5399440077189395
Energy: 1.539874247812989
Energy: 2.2993241514965734
Energy: 1.539874247812989
Energy: 1.5439373935749683
Energy: 2.0355978698248527
Energy: 1.5415887222421958
Energy: 2.0355978698237087
Energy: 2.14260422079606
Energy: 1.5409498450945984
Energy: 1.5413415174813656
Energy: 1.5409498450945984
Energy: 1.531821946099031
Energy: 1.9767888810706509
Energy: 2.3629029510679698
Energy: 1.9767888810695067
Energy: 1.5319859941534346
Energy: 1.9767184076045163
Energy: 1.6899456107682458
Energy: 1.9767184076045163
Energy: 2.142285702805036
Energy: 1.5677930199337404
Energy: 1.5692741852006253
Energy: 1.5677930199348848
Energy: 2.142644960729795
Energy: 2.043881176542851
Energy: 1.7718803454720944
Energy: 2.043881176542851
Energy: 2.3961114444806544
Energy: 2.410015805536181
Energy: 3.9308605263772165
Energy: 2.410015805535037
Energy: 2.1425163288530693
Energy: 2.037811832150403
Energy: 1.7718803454709502
Energy: 2.0378118321446816
Energy: 2.1426508693566344
Energy: 1.5678536001887233
Energy: 1.5691202045594452
Energy: 1.5678536001898675
Energy: 1.531729468536853
Energy: 1.976796025397118
Energy: 1.6899456107682458
Energy: 1.976796025397118

minimum gb energy = 1.5311396978236482 eV
minimum distance =  2.43780248762169 Angstroms
sigma value = 25


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

Energy: 2.227019172430857
Energy: 2.4656433973840404
Energy: 3.8226333111236994
Energy: 2.4656433973827103
Energy: 2.448438599963485
Energy: 1.9018653123045115
Energy: 1.8130151721768761
Energy: 1.9018653123045115
Energy: 2.3794185586022842
Energy: 1.671245498164275
Energy: 1.6668682156880184
Energy: 1.671245498164275
Energy: 2.020572419736877
Energy: 1.988018856782813
Energy: 1.8216052714359707
Energy: 1.988018856782813
Energy: 2.033514159395621
Energy: 1.8232894449022636
Energy: 2.0878223138567717
Energy: 1.8232894449009336
Energy: 2.3625123046477507
Energy: 1.640012985289529
Energy: 1.64256742331519
Energy: 1.640012985289529
Energy: 1.6646056178064457
Energy: 2.0180626963739883
Energy: 1.6538308612519073
Energy: 2.0180626963739883
Energy: 1.6590376433473215
Energy: 1.6648071362444956
Energy: 2.444663652461264
Energy: 1.6648071362444956
Energy: 1.6659184763236086
Energy: 2.078910211951426
Energy: 2.120484500857324
Energy: 2.078910211951426
Energy: 1.7261371591478318
Energy: 2.1553411752208604
Energy: 2.1523812111823784
Energy: 2.1553411752208604
Energy: 1.7270028530154877
Energy: 2.069681228817508
Energy: 2.385961860127059
Energy: 2.069681228817508
Energy: 1.7412255114632371
Energy: 1.6639259421141852
Energy: 2.3283681980090654
Energy: 1.663925942112855
Energy: 1.7266368158143575
Energy: 2.0505330324856326
Energy: 2.142830796489486
Energy: 2.0505330324843025
Energy: 1.720732864089078
Energy: 2.0713517148227605
Energy: 2.058266036835422
Energy: 2.0713517148214304
Energy: 1.6642303898140043
Energy: 1.6640112958474564
Energy: 2.964757358330299
Energy: 1.6640112958461262
Energy: 1.6636846936224796
Energy: 2.0173957979983803
Energy: 1.6437594557043687
Energy: 2.0173957979983803
Energy: 2.820260675881377
Energy: 1.640672979818626
Energy: 1.639764366428312
Energy: 1.640672979818626
Energy: 2.0267089877539797
Energy: 1.8227150459041948
Energy: 2.056845930016377
Energy: 1.8227150459041948
Energy: 2.0220380668303393
Energy: 1.9816068258689723
Energy: 1.8213112631232267
Energy: 1.981606825867642
Energy: 2.0502123848855582
Energy: 1.6396666237628483
Energy: 1.6723424172052415
Energy: 1.6396666237628483
Energy: 2.471769129720916
Energy: 1.9098013846386135
Energy: 1.6677437105899977
Energy: 1.9098013846399438
Energy: 2.2087981029774593
Energy: 2.4963648402470415
Energy: 1.747499193099447
Energy: 2.4963648402470415
Energy: 2.549113480221031
Energy: 2.200153070158208
Energy: 1.8130350958863795
Energy: 2.200153070158208
Energy: 2.3562364483589517
Energy: 1.6633537539726129
Energy: 1.6674902603079642
Energy: 1.6633537539712822
Energy: 2.0322411489676253
Energy: 1.8234555532495227
Energy: 1.6632682836225738
Energy: 1.8234555532508527

minimum gb energy = 1.6396666237628483 eV
minimum distance =  2.3914021978709 Angstroms
sigma value = 9


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

Energy: 1.7313745813762162
Energy: 1.7324923217897785
Energy: 4.205801596131647
Energy: 1.7324923217897785
Energy: 1.7316134643306484
Energy: 1.9606821795450433
Energy: 1.68293188905547
Energy: 1.9606821795450433
Energy: 1.6826541705125266
Energy: 1.7613698852086344
Energy: 1.7620306087367348
Energy: 1.7613698852102213
Energy: 1.6825193525189008
Energy: 1.6824311914960381
Energy: 1.7600685786470183
Energy: 1.6824311914960381
Energy: 1.683441192576667
Energy: 1.6832436140993665
Energy: 1.6827371434468064
Energy: 1.6832436140993665
Energy: 2.873502618537649
Energy: 1.6839289942831228
Energy: 1.6826379215554603
Energy: 1.6839289942831228
Energy: 1.7636220524626345
Energy: 1.6825263619859077
Energy: 1.6835883756081786
Energy: 1.6825263619874946
Energy: 1.7619479497376802
Energy: 1.7604581647815196
Energy: 2.4903020505261333
Energy: 1.7604581647815196
Energy: 2.164676744006506
Energy: 1.9609911718019872
Energy: 1.7313406503921271
Energy: 1.9609911718019872
Energy: 2.105820917859334
Energy: 1.7314401503778978
Energy: 1.7321205123599304
Energy: 1.7314401503794845
Energy: 1.8010013098726045
Energy: 1.960358619371172
Energy: 2.4910623639765994
Energy: 1.9603586193727587
Energy: 1.762940101307475
Energy: 2.05556002905139
Energy: 1.6824120047286373
Energy: 2.05556002905139
Energy: 2.164377485132213
Energy: 1.6828402202164106
Energy: 1.682603795797775
Energy: 1.6828402202179975
Energy: 1.6835251515306744
Energy: 1.885864827175348
Energy: 1.6823499537183562
Energy: 1.885864827175348
Energy: 1.6826251156693022
Energy: 1.6830384727815892
Energy: 2.1643774851338
Energy: 1.6830384727800023
Energy: 1.6827084161543249
Energy: 2.055282260595329
Energy: 1.7625360791131737
Energy: 2.055282260595329
Energy: 2.4910966945594533
Energy: 1.96037346976987
Energy: 1.8005511141694794
Energy: 1.96037346976987
Energy: 1.7319855490823148
Energy: 1.7320618083280246
Energy: 2.105820917859334
Energy: 1.7320618083280246
Energy: 1.7312078776818944
Energy: 1.9610377175800473
Energy: 2.164676744006506
Energy: 1.9610377175800473
Energy: 2.490348112222008
Energy: 1.7604494864878286
Energy: 1.76189427162891
Energy: 1.7604494864878286
Energy: 1.683592236015781
Energy: 1.6829179194683175
Energy: 1.7622628543300578
Energy: 1.6829179194667305

minimum gb energy = 1.6823499537183562 eV
minimum distance =  2.54740891709993 Angstroms
sigma value = 25


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

Energy: 1.961189649333062
Energy: 2.452393484873199
Energy: 3.757158327274732
Energy: 2.452393484873199
Energy: 2.410308683965485
Energy: 2.182495380972255
Energy: 1.8535576750085772
Energy: 2.182495380972255
Energy: 2.0077356156821398
Energy: 1.8556590151926835
Energy: 1.8599174540932382
Energy: 1.8556590151926835
Energy: 1.8555837753940787
Energy: 1.9322883088034715
Energy: 1.8410493719562373
Energy: 1.9322883088034715
Energy: 1.980912320890156
Energy: 2.0892128454325887
Energy: 2.4734576429465442
Energy: 2.0892128454325887
Energy: 2.551163290763302
Energy: 1.8951753645202032
Energy: 1.9015791706166456
Energy: 1.895175364518241
Energy: 2.059938805577212
Energy: 2.185947133796238
Energy: 1.909024367237298
Energy: 2.185947133784463
Energy: 2.1055412426140543
Energy: 2.021197159955818
Energy: 2.431251548059817
Energy: 2.021197159955818
Energy: 2.059886287549823
Energy: 1.8952021901714915
Energy: 1.9035119517000993
Energy: 1.8952021901714915
Energy: 2.089621085147517
Energy: 1.8933071151947947
Energy: 1.9038852481043713
Energy: 1.8933071151947947
Energy: 1.9327084717912906
Energy: 2.0844683391274934
Energy: 2.614697304210542
Energy: 2.084468339129456
Energy: 1.9794250088140155
Energy: 2.1552024594249315
Energy: 1.870210210521928
Energy: 2.1552024594210066
Energy: 2.4924856425890933
Energy: 1.8658132826550489
Energy: 1.871041804477077
Energy: 1.8658132826550489
Energy: 2.4155496841912414
Energy: 2.161710427123074
Energy: 2.240820021559588
Energy: 2.161710427121111
Energy: 2.4118377717369017
Energy: 2.1619516424370535
Energy: 2.252578749649594
Energy: 2.161951642429204
Energy: 2.4107710021612387
Energy: 1.8617714682323367
Energy: 1.8694042029876938
Energy: 1.8617714682323367
Energy: 1.9330081933736971
Energy: 1.8943402714499817
Energy: 1.8644096165455848
Energy: 1.8943402714597941

minimum gb energy = 1.8410493719562373 eV
minimum distance =  2.54796858398321 Angstroms
sigma value = 17


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

Energy: 2.3742837861037005
Energy: 2.3857138125040445
Energy: 3.691889285648966
Energy: 2.38571381200637
Energy: 2.429316155540636
Energy: 2.1508634522366017
Energy: 1.9966054774996316
Energy: 2.15086345223549
Energy: 2.147193146430436
Energy: 1.9345430842155442
Energy: 1.942207441770551
Energy: 1.9345430842166558
Energy: 1.9186847120946442
Energy: 1.8949273241349536
Energy: 2.020569601822742
Energy: 1.894927324133842
Energy: 1.9319823106837517
Energy: 2.1237938753418155
Energy: 2.312881634068581
Energy: 2.1237938753418155
Energy: 2.3977184687508095
Energy: 2.4566153366367063
Energy: 1.9981222172323285
Energy: 2.4566153366367063
Energy: 2.1540330045691642
Energy: 2.1530781220136066
Energy: 2.3079365026104424
Energy: 2.1530781220136066
Energy: 2.0061419096651045
Energy: 2.0438534114005122
Energy: 2.3422035335698417
Energy: 2.043853411358277
Energy: 1.9367249541536473
Energy: 1.977653439804872
Energy: 1.9259029709370812
Energy: 1.9776534398026488
Energy: 2.352329312798602
Energy: 2.146538943406693
Energy: 2.0642923937661997
Energy: 2.1465389434078044
Energy: 1.9918533574883657
Energy: 1.9706541151199124
Energy: 2.415099954303925
Energy: 1.9706541151188008
Energy: 2.007786027295566
Energy: 2.317537534723298
Energy: 2.076279369036753
Energy: 2.317537534722186
Energy: 2.323876383137751
Energy: 2.0058674083052392
Energy: 2.089093944933484
Energy: 2.0058674083140806
Energy: 1.9870819397319104
Energy: 1.9747473593119875
Energy: 2.0519351391937324
Energy: 1.9747473593119875
Energy: 1.9947200920488333
Energy: 2.1392889587694945
Energy: 2.3795869345212233
Energy: 2.139288958768383
Energy: 2.4516672457359188
Energy: 2.0587563553541917
Energy: 1.9256579428871339
Energy: 2.0587563553575263
Energy: 1.975094387227599
Energy: 1.9787041370904628
Energy: 1.9925174991166892
Energy: 1.978704137093797
Energy: 1.9910595405278124
Energy: 2.0110396592227957
Energy: 2.3654578234860373
Energy: 2.011039659223907
Energy: 2.1445467470664723
Energy: 2.059031959356862
Energy: 2.170149636907543
Energy: 2.059031959357973
Energy: 2.4485030333717654
Energy: 2.134004397937589
Energy: 2.3294605961078148
Energy: 2.134004397937589
Energy: 1.926141700913792
Energy: 2.228945154327992
Energy: 2.392142223122065
Energy: 2.228945154327992
Energy: 1.910832039969767
Energy: 2.1913545973022592
Energy: 1.9784133288662584
Energy: 2.191354597303371
Energy: 2.395981060557876
Energy: 1.9386913354382775
Energy: 1.94798272417051
Energy: 1.9386913354405004
Energy: 2.3636626601761668
Energy: 2.1717010657051605
Energy: 2.3012645958932265
Energy: 2.1717010657051605
Energy: 2.363669609066963
Energy: 2.1743008804400907
Energy: 2.2970081902847297
Energy: 2.1743008804400907
Energy: 2.391271851699284
Energy: 1.9398953823701035
Energy: 1.9410252772462573
Energy: 1.9398953823701035
Energy: 1.9058996354146802
Energy: 2.1870373313539075
Energy: 1.941296074698933
Energy: 2.187037331349462
Energy: 1.8998820359300381
Energy: 1.8942567684557354
Energy: 2.446586947714573
Energy: 1.8942567684557354
Energy: 2.188680295462844
Energy: 2.1333602851981897
Energy: 2.3266496013353546
Energy: 2.1333602851970777
Energy: 2.1546713679955083
Energy: 2.315585665388612
Energy: 2.0077856538990075
Energy: 2.3155856653897238

minimum gb energy = 1.8942567684557354 eV
minimum distance =  2.31449774968346 Angstroms
sigma value = 53


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

Energy: 1.8531055095407065
Energy: 2.0880203344964654
Energy: 3.9501602795029678
Energy: 2.0880203344964654
Energy: 1.9591103409722896
Energy: 2.04013549300008
Energy: 1.8525865080890729
Energy: 2.04013549300008
Energy: 2.630377528462221
Energy: 2.069249558244128
Energy: 1.9788833501650664
Energy: 2.069249558244128
Energy: 1.978625196972246
Energy: 2.06896597121751
Energy: 2.6304797283650205
Energy: 2.06896597121751
Energy: 1.852438271840559
Energy: 2.042578098663641
Energy: 1.9588203197451597
Energy: 2.0425780986687587
Energy: 3.9501602795029678
Energy: 2.0880203344964654
Energy: 1.8531055095407065
Energy: 2.0880203344964654
Energy: 1.8525865080890729
Energy: 2.0401354930179916
Energy: 1.9591103409722896
Energy: 2.04013549300008
Energy: 1.9788833501650664
Energy: 2.0692495582415695
Energy: 2.630377528462221
Energy: 2.069249558244128
Energy: 2.6304797283650205
Energy: 2.06896597121751
Energy: 1.978625196974805
Energy: 2.06896597121751
Energy: 1.9588203197451597
Energy: 2.04257809864573
Energy: 1.852438271840559
Energy: 2.04257809864573
Energy: 1.8531055095407065
Energy: 2.0880203344964654
Energy: 3.950160279505526
Energy: 2.0880203344964654
Energy: 1.9591103409722896
Energy: 2.0401354930154323
Energy: 1.8525865080916315
Energy: 2.0401354929975213
Energy: 2.630377528462221
Energy: 2.069249558244128
Energy: 1.9788833501650664
Energy: 2.069249558244128

minimum gb energy = 1.852438271840559 eV
minimum distance =  2.4473763040908 Angstroms
sigma value = 9


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

Energy: 2.239628097490795
Energy: 2.611223573413257
Energy: 3.5390053376958464
Energy: 2.611223573414204
Energy: 2.640896880976177
Energy: 2.24048365069926
Energy: 2.298251652757776
Energy: 2.2404836506964187
Energy: 2.1821829331169353
Energy: 2.026776886916611
Energy: 2.1018904482134197
Energy: 2.026776886914717
Energy: 2.106502633228294
Energy: 2.0543114039369734
Energy: 2.2377458797935907
Energy: 2.0543114039369734
Energy: 2.215459119757602
Energy: 2.3575213195712315
Energy: 2.551488556487921
Energy: 2.3575213195712315
Energy: 2.734526678377137
Energy: 2.353637820462107
Energy: 2.2109896586900355
Energy: 2.35363782046116
Energy: 2.2340577186290567
Energy: 2.2890808954714705
Energy: 2.5832722217161748
Energy: 2.2890808954705237
Energy: 2.098149576001833
Energy: 2.035981790038148
Energy: 2.1944456875575895
Energy: 2.0359817900362542
Energy: 2.197610642595933
Energy: 2.2783856263373115
Energy: 2.1201794289752165
Energy: 2.278385626336364
Energy: 2.29796864154773
Energy: 2.2794684341275357
Energy: 2.2584518684024344
Energy: 2.27946843412943
Energy: 2.037470630012333
Energy: 2.3278068455216676
Energy: 2.604278871918967
Energy: 2.3278068455197736
Energy: 2.646705734319792
Energy: 2.349778917627885
Energy: 2.162960920960234
Energy: 2.349778917627885
Energy: 2.131931852498699
Energy: 2.022928734729307
Energy: 2.0260037814924203
Energy: 2.0229287347330946
Energy: 2.208504655920078
Energy: 2.299791616213239
Energy: 2.3202182683256143
Energy: 2.299791616213239
Energy: 2.2114115847851945
Energy: 2.292384099752397
Energy: 2.169124287266591
Energy: 2.29238409975145
Energy: 2.580999795152817
Energy: 2.1547446184486443
Energy: 2.0311219892029175
Energy: 2.1547446184486443
Energy: 2.269920870325323
Energy: 2.31854697270602
Energy: 2.6864068987159535
Energy: 2.31854697270602
Energy: 2.04529818663778
Energy: 2.322187861388617
Energy: 2.1869391524101323
Energy: 2.3221878613876696
Energy: 2.643308545268018
Energy: 2.1561372095121456
Energy: 2.156057758240174
Energy: 2.1561372095102516
Energy: 2.188576731495955
Energy: 2.3424316135393806
Energy: 2.0766699318566975
Energy: 2.3424316135393806
Energy: 2.119426461362134
Energy: 2.034042400008807
Energy: 2.5426100745931968
Energy: 2.034042399881948
Energy: 2.5147644578685022
Energy: 2.270150640553178
Energy: 2.2767912022264287
Energy: 2.270150640554125
Energy: 2.3674758489046375
Energy: 2.332574907419353
Energy: 2.2439677926276644
Energy: 2.332574907421247
Energy: 2.175237649627723
Energy: 2.1342429137193135
Energy: 2.728873389375452
Energy: 2.1342429137202608
Energy: 2.146557654300944
Energy: 2.3833318878816767
Energy: 2.2267459280345268
Energy: 2.3833318878826244
Energy: 2.4138073169341085
Energy: 2.0652685220834837
Energy: 2.097105703336699
Energy: 2.065268521846812
Energy: 2.587407792230735
Energy: 2.289307352531767
Energy: 2.53791472269353
Energy: 2.289307352531767
Energy: 2.2926014347187382
Energy: 2.5246951250299547
Energy: 2.539527198172481
Energy: 2.5246951250290506
Energy: 2.7458507489911175
Energy: 2.197993250937185
Energy: 2.0940789744904698
Energy: 2.197993250938132
Energy: 2.1871136705634266
Energy: 2.3650574375299294
Energy: 2.2253570084774412
Energy: 2.3650574375289826
Energy: 2.1041926080297433
Energy: 2.153781595224886
Energy: 2.654266793409201
Energy: 2.153781595223939
Energy: 2.3664658002230343
Energy: 2.379519087675791
Energy: 2.2938474034222835
Energy: 2.379519087675791
Energy: 2.6539979756122003
Energy: 2.209775864896841
Energy: 2.2900227117569187
Energy: 2.2097758648958936
Energy: 2.121601280155357
Energy: 2.0337552728522117
Energy: 2.5464022069893844
Energy: 2.03375527284653
Energy: 2.129404298637445
Energy: 2.3847493566808793
Energy: 2.0784929854808487
Energy: 2.384749356681826

minimum gb energy = 2.022928734729307 eV
minimum distance =  2.37271600163665 Angstroms
sigma value = 73


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

Energy: 2.315412331980055
Energy: 2.4480443212782643
Energy: 3.652105485735386
Energy: 2.4480443212782643
Energy: 2.3632583586615357
Energy: 2.222452854054867
Energy: 2.2451644033052083
Energy: 2.222452854053364
Energy: 2.1970550902005903
Energy: 2.0683889634279713
Energy: 2.144090960868958
Energy: 2.0683889634279713
Energy: 2.091189556143964
Energy: 2.3114034321279795
Energy: 2.2115192374726718
Energy: 2.3114034321279795
Energy: 2.409846700961172
Energy: 2.0224157583719595
Energy: 2.36041966887621
Energy: 2.022415758370457
Energy: 2.806478408982923
Energy: 2.3813082364226665
Energy: 2.0383242334986544
Energy: 2.3813082364226665
Energy: 2.182154033123969
Energy: 2.2898699353029572
Energy: 2.4720464919865623
Energy: 2.2898699353029572
Energy: 2.018907164426547
Energy: 2.0225455262747296
Energy: 2.3433767161711265
Energy: 2.0225455262747296
Energy: 2.4030969590677884
Energy: 2.1317519245211227
Energy: 2.32825165230571
Energy: 2.1317519245211227
Energy: 2.172437091188144
Energy: 2.068906658246734
Energy: 2.320549475128063
Energy: 2.0689066582497393
Energy: 2.0186073735823102
Energy: 2.017758339018633
Energy: 2.727119953679689
Energy: 2.0177583390156273
Energy: 2.4941755716654317
Energy: 2.293126227465965
Energy: 2.3418682028088678
Energy: 2.293126227465965
Energy: 2.393957304436412
Energy: 2.369951600198199
Energy: 2.0383155719858794
Energy: 2.369951600198199
Energy: 2.1915914155046776
Energy: 2.2548156245705955
Energy: 2.7900608469724086
Energy: 2.2548156245736006
Energy: 2.1184179765314775
Energy: 2.3809575366012248
Energy: 2.304254501034929
Energy: 2.3809575366012248
Energy: 2.3413861204134085
Energy: 2.0711827580831352
Energy: 2.146142396537046
Energy: 2.0711827580831352
Energy: 2.4101356782273937
Energy: 2.370084761982076
Energy: 2.705841350226553
Energy: 2.370084761982076
Energy: 2.348815865717344
Energy: 2.4294355219266066
Energy: 2.697155291268558
Energy: 2.4294355219266066
Energy: 2.531804316157281
Energy: 2.0702361887458314
Energy: 2.19621528291894
Energy: 2.0702361887458314
Energy: 2.1148532302106613
Energy: 2.3851382392203964
Energy: 2.1461462330198042
Energy: 2.3851382392203964
Energy: 2.194741288540643
Energy: 2.1959597787801313
Energy: 2.8739713641994977
Energy: 2.195959778778629
Energy: 2.3332114531232753
Energy: 2.361417971508032
Energy: 2.0589406955430274
Energy: 2.361417971508032

minimum gb energy = 2.0177583390156273 eV
minimum distance =  2.3474502317388 Angstroms
sigma value = 7


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

Energy: 2.4037884455159557
Energy: 2.4282745875996654
Energy: 3.5456906639578807
Energy: 2.4282745875996654
Energy: 2.438150227045132
Energy: 2.2360799293128824
Energy: 2.2307751039971646
Energy: 2.23607992931182
Energy: 2.2195405409172237
Energy: 2.181349718827933
Energy: 2.049772024895273
Energy: 2.1813497188289954
Energy: 2.2029380102237
Energy: 2.2716077207240013
Energy: 2.175229393610892
Energy: 2.2716077207240013
Energy: 2.359275854019936
Energy: 2.187918237937348
Energy: 2.113710514527831
Energy: 2.187918237935223
Energy: 2.8662116946589684
Energy: 2.0133175494284887
Energy: 2.017974881028309
Energy: 2.0133175494295514
Energy: 2.1266154401071087
Energy: 2.263228916133769
Energy: 2.624905241257274
Energy: 2.263228916133769
Energy: 2.013458785823866
Energy: 2.012783823913192
Energy: 2.3059527734743868
Energy: 2.012783823912129
Energy: 2.5048544231420244
Energy: 2.070462284956191
Energy: 2.1556781545345776
Energy: 2.070462284960441
Energy: 2.123796173171144
Energy: 2.3858682468941264
Energy: 2.2531364169798094
Energy: 2.3858682468941264
Energy: 2.062462673314396
Energy: 2.0678575406445807
Energy: 2.352339522912646
Energy: 2.0678575406435185
Energy: 2.7789940044654875
Energy: 2.331615931611098
Energy: 2.4400685005294287
Energy: 2.331615931611098
Energy: 2.8426937818625566
Energy: 2.2549069460275395
Energy: 2.406259859351183
Energy: 2.2549069460286018
Energy: 2.1672297760145063
Energy: 2.0716175694901935
Energy: 2.7131662535924996
Energy: 2.0716175694880685
Energy: 2.0991789215405463
Energy: 2.380447943873061
Energy: 2.2756789655746354
Energy: 2.380447943873061
Energy: 2.539854840571538
Energy: 2.2141088774334925
Energy: 2.2092422240024363
Energy: 2.214108877431368
Energy: 2.1546390828978983
Energy: 2.0118717590755795
Energy: 2.3087134447261954
Energy: 2.011871759077704
Energy: 2.1692744246936972
Energy: 2.5086283562732787
Energy: 2.631214394679486
Energy: 2.5086283562743414
Energy: 2.942633414335698
Energy: 2.028403561464229
Energy: 2.1539486467989457
Energy: 2.028403561465291
Energy: 2.302267409651747
Energy: 2.3605301839768393
Energy: 2.158301911352752
Energy: 2.3605301839768393
Energy: 2.211562856903862
Energy: 2.2140288074963617
Energy: 2.17476558873601
Energy: 2.2140288074952994
Energy: 2.245504457303159
Energy: 2.191111313204196
Energy: 2.063658239991985
Energy: 2.191111313202071
Energy: 2.396253159941877
Energy: 2.1881846188471297
Energy: 2.231696950171517
Energy: 2.188184618849254
Energy: 2.4083186518702484
Energy: 2.3872755170086886
Energy: 2.779535137790327
Energy: 2.3872755170076263
Energy: 2.438729771312947
Energy: 2.271756817414475
Energy: 2.239395383467979
Energy: 2.2717568174166005
Energy: 2.3523451197180907
Energy: 2.1374125255962273
Energy: 2.050755440000228
Energy: 2.13741252559729
Energy: 2.301388230272542
Energy: 2.2701632141290515
Energy: 2.173806294475364
Energy: 2.2701632141279893
Energy: 2.311166406566583
Energy: 2.0649852063679557
Energy: 2.4966330081934562
Energy: 2.064985206371143
Energy: 2.30752018879974
Energy: 2.0141962121155723
Energy: 2.0127886651487787
Energy: 2.0141962121176973
Energy: 2.6497300163239643
Energy: 2.276158983349643
Energy: 2.6494511813956825
Energy: 2.276158983349643
Energy: 2.0130305775451345
Energy: 2.014539901930008
Energy: 2.30752018879974
Energy: 2.014539901928946

minimum gb energy = 2.0118717590755795 eV
minimum distance =  2.49978110903416 Angstroms
sigma value = 29


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

Energy: 1.891308729662773
Energy: 2.2499323268609195
Energy: 3.7690374155769573
Energy: 2.2499323268609195
Energy: 2.533184982219293
Energy: 1.9821492868403494
Energy: 1.9645526833046743
Energy: 1.9821492868399795
Energy: 2.429844971831784
Energy: 1.917172876443346
Energy: 1.9156027594033955
Energy: 1.9171728764436748
Energy: 2.5983248931590643
Energy: 2.231915437065211
Energy: 1.9979947016893185
Energy: 2.231915437064101
Energy: 2.6140749342784626
Energy: 1.9244189326599979
Energy: 1.9440317301961574
Energy: 1.9244189326545702
Energy: 2.429912550530571
Energy: 1.9220823030673235
Energy: 1.9262343724993873
Energy: 1.9220823030680227
Energy: 2.449518102142057
Energy: 2.2550851018696716
Energy: 2.9752977900115543
Energy: 2.2550851018703706
Energy: 1.9631818444221296
Energy: 2.273909275286295
Energy: 2.9751996537446668
Energy: 2.273909275286665
Energy: 2.5547651676020062
Energy: 1.9280193326745536
Energy: 2.02539796680213
Energy: 1.928019332754122

minimum gb energy = 1.891308729662773 eV
minimum distance =  2.53083418843051 Angstroms
sigma value = 5


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

Energy: 2.3770056483522857
Energy: 2.2089356491607024
Energy: 3.208052762080666
Energy: 2.2089356491607024
Energy: 2.6858660966013743
Energy: 2.1329962393827637
Energy: 2.2168772983516782
Energy: 2.1329962393827637
Energy: 2.117235231972065
Energy: 2.2586475918883577
Energy: 2.0928606033375416
Energy: 2.258647591887354
Energy: 2.194067516550054
Energy: 2.1090222048796656
Energy: 2.177092995697395
Energy: 2.1090222048796656
Energy: 2.063129256304107
Energy: 2.2971487244629007
Energy: 2.081696240709454
Energy: 2.2971487244629007
Energy: 2.1861360792707774
Energy: 2.1549499872853963
Energy: 2.069889930679273
Energy: 2.1549499872864
Energy: 2.2429340689090234
Energy: 2.281937367034824
Energy: 2.265770869309409
Energy: 2.281937367034824
Energy: 2.244136463518693
Energy: 2.284988594914738
Energy: 2.562481647108478
Energy: 2.284988594914738
Energy: 2.6728674666285737
Energy: 2.362969996950088
Energy: 2.2623287259737497
Energy: 2.362969996950088
Energy: 2.4471275965406165
Energy: 2.3250930277882023
Energy: 2.308212239663005
Energy: 2.3250930277882023
Energy: 2.070639950895984
Energy: 2.13943910474909
Energy: 2.1140250860776066
Energy: 2.13943910474909
Energy: 2.0729164351903133
Energy: 2.2227533230039396
Energy: 2.0969493253506504
Energy: 2.222753323004943
Energy: 2.321274937894963
Energy: 2.158456627025066
Energy: 2.1435943066182936
Energy: 2.158456627025066
Energy: 2.0550341249800628
Energy: 2.2395618999956057
Energy: 2.094281459113924
Energy: 2.2395618999956057
Energy: 2.083831028465861
Energy: 2.3089109902553515
Energy: 2.5209009797631063
Energy: 2.308910990254348
Energy: 2.7593482768424504
Energy: 2.2704936723935347
Energy: 2.343156637958373
Energy: 2.2704936723464098
Energy: 2.489140137251847
Energy: 2.2487881376575425
Energy: 2.454296542440418
Energy: 2.2487881376555348
Energy: 2.186620029899966
Energy: 2.289321655238178
Energy: 2.3808676525594112
Energy: 2.289321655238178
Energy: 2.2355220857699853
Energy: 2.163137863422399
Energy: 2.1529628727837173
Energy: 2.1631378634234024
Energy: 2.074817794772251
Energy: 2.2182007588696666
Energy: 2.071513656455877
Energy: 2.218200758868663
Energy: 2.0660893606500843
Energy: 2.121274165418583
Energy: 2.1243181911102846
Energy: 2.12127416542059
Energy: 2.283855730423371
Energy: 2.23593828376596
Energy: 2.117977297005133
Energy: 2.2359382837669632
Energy: 2.1238991430488827
Energy: 2.305867046703786
Energy: 2.1399690098055593
Energy: 2.305867046703786
Energy: 2.563295437759263
Energy: 2.336714535143981
Energy: 2.6635803911536695
Energy: 2.336714535143981
Energy: 2.5774358391656604
Energy: 2.3526574718852173
Energy: 2.7493341014110904
Energy: 2.3526574718852173
Energy: 2.4685502976263556
Energy: 2.2930892124178484
Energy: 2.1161522495962446
Energy: 2.2930892124168447
Energy: 2.151416937975005
Energy: 2.288471478219156
Energy: 2.1418137078881996
Energy: 2.288471478218153
Energy: 2.1775000664747743
Energy: 2.0710660496443594
Energy: 2.3688619379991946
Energy: 2.071066049645363
Energy: 2.106810189623261
Energy: 2.2513690059274283
Energy: 2.073041559050877
Energy: 2.251369005926425
Energy: 2.456565231875248
Energy: 2.4716697583693272
Energy: 2.168935828520207
Energy: 2.4716697583693272
Energy: 2.3527630695573087
Energy: 2.299232723527047
Energy: 2.364505546880918
Energy: 2.2992327235260435
Energy: 2.2434198493603366
Energy: 2.250810227670359
Energy: 2.702319824110066
Energy: 2.250810227671363
Energy: 2.8210755560487555
Energy: 2.152761576390257
Energy: 2.3542786616367635
Energy: 2.152761576390257

minimum gb energy = 2.0550341249800628 eV
minimum distance =  2.34926457290133 Angstroms
sigma value = 1


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

Energy: 2.127669707260085
Energy: 2.1430663935294127
Energy: 3.4465906008178004
Energy: 2.1430663935294127
Energy: 2.2242761578108796
Energy: 2.103376968968063
Energy: 2.0718849330222597
Energy: 2.1033769689666753
Energy: 2.223813920142399
Energy: 2.1746882205960674
Energy: 2.1020868209715826
Energy: 2.1746882205960674
Energy: 2.0315290563960215
Energy: 2.1319638883032974
Energy: 2.0891256311580984
Energy: 2.1319638883019096
Energy: 1.9731644585429327
Energy: 2.117354150096464
Energy: 2.00192354255178
Energy: 2.117354150096464
Energy: 2.061765064334047
Energy: 2.1340016100427004
Energy: 2.007910286276823
Energy: 2.1340016100357615
Energy: 2.080589128565954
Energy: 2.145623497124368
Energy: 2.228712836094762
Energy: 2.145623497124368
Energy: 2.076582239712078
Energy: 2.1455760252017293
Energy: 2.2276903507325447
Energy: 2.1455760252017293
Energy: 2.362839481635112
Energy: 2.126227418030153
Energy: 2.0384973990445765
Energy: 2.126227418039867
Energy: 2.3628394816253984
Energy: 2.126305129901036
Energy: 2.0361220589480364
Energy: 2.1263051298996483
Energy: 2.0764575290646765
Energy: 2.1455377952240364
Energy: 2.2276903507311565
Energy: 2.1455377952240364
Energy: 2.0805487900882125
Energy: 2.14578865895593
Energy: 2.228712836090599
Energy: 2.14578865895593
Energy: 2.0603800451426832
Energy: 2.13349279812616
Energy: 2.0083320885236486
Energy: 2.1334927981275484
Energy: 1.973145079153286
Energy: 2.1174915724861108
Energy: 2.002320952474611
Energy: 2.1174915724861108
Energy: 2.0311310010897246
Energy: 2.140061192173859
Energy: 2.0897646681372355
Energy: 2.1400611921724715
Energy: 2.223813920142399
Energy: 2.1747107765363185
Energy: 2.1021431015265084
Energy: 2.1747107765363185
Energy: 2.224353474239771
Energy: 2.103271533218009
Energy: 2.071898585636069
Energy: 2.1032715332193654
Energy: 2.127669707260085
Energy: 2.1430663935321874
Energy: 3.4465906008178004
Energy: 2.1430663935294127
Energy: 2.224276157809492
Energy: 2.103376968968063
Energy: 2.0718849330236475
Energy: 2.103376968968063
Energy: 2.223813920142399
Energy: 2.174688220597455
Energy: 2.102086820970195
Energy: 2.174688220597455
Energy: 2.0315290563960215
Energy: 2.1319638883032974
Energy: 2.08912563115671
Energy: 2.1319638883032974
Energy: 1.9731644585429327
Energy: 2.1173541500950765
Energy: 2.001923542553168
Energy: 2.117354150096464
Energy: 2.061765064329884
Energy: 2.1340016100454755
Energy: 2.007910286276823
Energy: 2.1340016100413126
Energy: 2.080589128565954
Energy: 2.145623497124368
Energy: 2.2287128360919866
Energy: 2.145623497124368

minimum gb energy = 1.973145079153286 eV
minimum distance =  2.37951426830729 Angstroms
sigma value = 17


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

Energy: 2.5810389373663027
Energy: 2.195189260975506
Energy: 3.059170419146144
Energy: 2.195189260972075
Energy: 2.489693790787469
Energy: 2.183387370078817
Energy: 2.3263495891148036
Energy: 2.1833873700796746
Energy: 2.133975198398122
Energy: 2.2538452580236
Energy: 2.042626941228183
Energy: 2.253845258024458
Energy: 2.0923258810590246
Energy: 2.077685097549234
Energy: 2.2711820210166365
Energy: 2.0776850975509493
Energy: 2.0976989123359306
Energy: 2.2056489864619473
Energy: 2.03631462853035
Energy: 2.2056489864628044
Energy: 2.204572734643602
Energy: 2.1452959264282248
Energy: 2.0200099915228553
Energy: 2.1452959264265092
Energy: 2.0719970599061397
Energy: 2.211341590738533
Energy: 2.0612601625977462
Energy: 2.2113415907376757
Energy: 2.104815517955261
Energy: 2.216311150852912
Energy: 2.0321215352702993
Energy: 2.216311150852912
Energy: 2.4023373626028177
Energy: 2.1991652645142583
Energy: 2.4033756235614687
Energy: 2.1991652645168314
Energy: 2.42098447133627
Energy: 2.249954826568908
Energy: 2.373173472065273
Energy: 2.249954826568908
Energy: 2.1962063654764994
Energy: 2.2731991388359694
Energy: 2.536725094820579
Energy: 2.2731991388359694
Energy: 2.198045041534999
Energy: 2.1871614215150457
Energy: 2.2750724109093725
Energy: 2.1871614215159036
Energy: 2.078747596914238
Energy: 2.1508014153094726
Energy: 2.0521958759124868
Energy: 2.150801415308615
Energy: 2.070787854782837
Energy: 2.227625508346517
Energy: 2.046728384464504
Energy: 2.227625508348233
Energy: 2.0210915504641664
Energy: 2.1860569980945783
Energy: 2.0680411417175653
Energy: 2.1860569980945783
Energy: 2.050944307354897
Energy: 2.2118113822849432
Energy: 2.0417543670819684
Energy: 2.2118113822840857
Energy: 2.313734275883003
Energy: 2.1048363958542193
Energy: 2.1669679000484656
Energy: 2.104836395855077
Energy: 2.2038022649855904
Energy: 2.224940254981257
Energy: 2.376654945305787
Energy: 2.224940254982115
Energy: 2.2950459422337683
Energy: 2.211189417148254
Energy: 2.3362912632838513
Energy: 2.2111894171491113
Energy: 2.7013964363937255
Energy: 2.1735106468481993
Energy: 2.2325010124301268
Energy: 2.1735106468481993
Energy: 2.188278648487814
Energy: 2.424951389298738
Energy: 2.4687927899861233
Energy: 2.424951389298738
Energy: 2.0792380715350256
Energy: 2.191006397924797
Energy: 2.0782220577232833
Energy: 2.191006397923939
Energy: 2.21500344608215
Energy: 2.3092786894889654
Energy: 2.0814203400610936
Energy: 2.3092786894889654
Energy: 2.0900244995298776
Energy: 2.192991750932558
Energy: 2.0502799900704227
Energy: 2.192991750932558
Energy: 2.057787636290924
Energy: 2.1769579866282824
Energy: 2.1056661917029174
Energy: 2.176957986627425
Energy: 2.0900052152582873
Energy: 2.215049869242031
Energy: 2.1257651715165973
Energy: 2.215049869242889
Energy: 2.4895121953060286
Energy: 2.2128116997668448
Energy: 2.1642368645523846
Energy: 2.2128116997677023
Energy: 2.4460706362069016
Energy: 2.1041730815202433
Energy: 2.7062131323351637
Energy: 2.1041730815218807
Energy: 2.397017237883258
Energy: 2.1355260881796156
Energy: 2.6356680969377737
Energy: 2.1355260881813307
Energy: 2.132951085599138
Energy: 2.233624460161874
Energy: 2.141099332548106
Energy: 2.2336244601610167
Energy: 2.0775539756722012
Energy: 2.1940699495210936
Energy: 2.169245118469683
Energy: 2.1940699495210936
Energy: 2.056153438758896
Energy: 2.202307178457147
Energy: 2.1129672079799846
Energy: 2.202307178457147
Energy: 2.0737833217870874
Energy: 2.2137911345510886
Energy: 2.0655285147856794
Energy: 2.2137911345502306
Energy: 2.204698866173643
Energy: 2.1937296682378036
Energy: 2.094503168696708
Energy: 2.1937296682378036
Energy: 2.086249440236928
Energy: 2.1843288762283293
Energy: 2.0326021542565322
Energy: 2.1843288762274713
Energy: 2.318691435637094
Energy: 2.0522082074071064
Energy: 2.3765301701376016
Energy: 2.0522082073985293
Energy: 2.7325040402239575
Energy: 2.305923836697819
Energy: 2.280926779570381
Energy: 2.305923836698677
Energy: 2.3349497145728746
Energy: 2.2152416559595998
Energy: 2.4503965472025775
Energy: 2.2152416559595998

minimum gb energy = 2.0200099915228553 eV
minimum distance =  2.51548422189221 Angstroms
sigma value = 89


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

Energy: 2.442087008300601
Energy: 2.1675921776251688
Energy: 3.088310333638827
Energy: 2.1675921776229248
Energy: 2.1744198892205824
Energy: 2.1613167578979833
Energy: 2.164803199925624
Energy: 2.1613167578979833
Energy: 2.172572325414715
Energy: 2.065704966400481
Energy: 1.957455391006431
Energy: 2.065704966400481
Energy: 1.940262576603025
Energy: 2.051846682552284
Energy: 2.2065716648984477
Energy: 2.0518466825500403
Energy: 2.013472088224779
Energy: 2.0425959031112297
Energy: 1.9953677377121672
Energy: 2.0425959031112297
Energy: 1.9814989575102369
Energy: 2.2113026918995513
Energy: 2.054080830290422
Energy: 2.211302691883842
Energy: 1.9062967062704308
Energy: 2.093331190818087
Energy: 2.0259251146464115
Energy: 2.093331190818087
Energy: 1.9230409242415785
Energy: 2.0884497793249697
Energy: 2.123538026114281
Energy: 2.0884497793227252
Energy: 2.1737733685939724
Energy: 2.1140096727603983
Energy: 1.9372135889093167
Energy: 2.1140096727603983
Energy: 2.364055133195713
Energy: 2.197786458276519
Energy: 1.8751136534972157
Energy: 2.197786458276519
Energy: 2.2315982544258266
Energy: 2.1249870083082487
Energy: 2.126347919660394
Energy: 2.1249870083082487
Energy: 2.176807879819147
Energy: 2.1400880030636764
Energy: 2.125649865505287
Energy: 2.1400880030636764
Energy: 2.17334350823202
Energy: 2.1601574853513292
Energy: 1.9375574603926706
Energy: 2.1601574853513292
Energy: 2.174149559383825
Energy: 2.151284123632122
Energy: 1.8800294479659696
Energy: 2.151284123632122
Energy: 1.9070820901753462
Energy: 2.070788430066525
Energy: 2.123639486108211
Energy: 2.070788430066525

minimum gb energy = 1.8751136534972157 eV
minimum distance =  2.37016627675064 Angstroms
sigma value = 13


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

Energy: 2.1686420729840563
Energy: 2.0857079166796875
Energy: 2.729834097348122
Energy: 2.0857079166796875
Energy: 2.1097774982860598
Energy: 1.9780766806286036
Energy: 1.9880677344989865
Energy: 1.978076680624841
Energy: 2.069689431424152
Energy: 1.8682781106070836
Energy: 2.14744783971355
Energy: 1.8682781106080242
Energy: 1.9178863731960918
Energy: 1.9819165092680562
Energy: 2.001503423658485
Energy: 1.9819165092689972
Energy: 1.8658158372170515
Energy: 1.8776871543818114
Energy: 1.959434286607055
Energy: 1.8776871543836926
Energy: 2.025664941050923
Energy: 2.039474786769579
Energy: 1.928869502948666
Energy: 2.0394747867705196
Energy: 1.8675307651771802
Energy: 1.9276157455248728
Energy: 1.918360482009762
Energy: 1.9276157455276945
Energy: 1.8719569911376193
Energy: 2.0897587956308636
Energy: 1.8768890244400802
Energy: 2.0897587956308636
Energy: 1.9615776853378877
Energy: 1.9332385053565726
Energy: 1.8796289319597705
Energy: 1.9332385053556322
Energy: 2.162234904883578
Energy: 2.0168924456670325
Energy: 1.9507102466017698
Energy: 2.0168924456689137
Energy: 1.939869656173195
Energy: 1.9491923121144856
Energy: 2.044980735563624
Energy: 1.9491923121154262
Energy: 2.0290822402361655
Energy: 1.969923463086618
Energy: 1.8660591613905193
Energy: 1.969923463086618
Energy: 1.984654950610706
Energy: 2.1125281372933915
Energy: 2.104166276493644
Energy: 2.1125281372933915
Energy: 2.0397229107224844
Energy: 1.9732165902839822
Energy: 2.107971624772222
Energy: 1.9732165902830419
Energy: 1.939930118675686
Energy: 2.0384378492177877
Energy: 2.1100082851169426
Energy: 2.038437849219669
Energy: 2.0290435513890053
Energy: 2.0377931923456734
Energy: 2.178520463829407
Energy: 2.0377931923447328
Energy: 1.9792421287071984
Energy: 1.9581985749123958
Energy: 1.8798014508205523
Energy: 1.9581985749123958
Energy: 2.035693805397438
Energy: 2.0517907666510453
Energy: 2.0694351871557135
Energy: 2.0517907666510453
Energy: 1.8713521428819089
Energy: 1.9609258359387554
Energy: 1.872892688104223
Energy: 1.960925835939696
Energy: 1.8731564162699725
Energy: 1.9610133913981809
Energy: 1.8717933005366387
Energy: 1.9610133913972403
Energy: 2.0696124881842914
Energy: 2.049971307127377
Energy: 2.035894677070228
Energy: 2.0499713071292587
Energy: 1.8796823781696592
Energy: 1.9603108480597635
Energy: 1.979242128700614
Energy: 1.9603108480597635
Energy: 2.1785204638200013
Energy: 2.0376257108669256
Energy: 2.0285877890898982
Energy: 2.0376257108669256
Energy: 2.110008285118824
Energy: 2.0388158069657223
Energy: 1.9397638841780096
Energy: 2.0388158069657223
Energy: 2.120603230354624
Energy: 1.9728035367227474
Energy: 2.0391566424105254
Energy: 1.9728035367302725
Energy: 2.1043026981854576
Energy: 2.1125032036953737
Energy: 1.9846549506144686
Energy: 2.1125032036944327
Energy: 1.8675591499425679
Energy: 1.9703394675180577
Energy: 2.02884730103772
Energy: 1.9703394675208792
Energy: 2.04498073555704
Energy: 1.9869045904965317
Energy: 1.9397579970104726
Energy: 1.9869045904946503
Energy: 1.9503371001731895
Energy: 2.0171561528430253
Energy: 2.1624253038539063
Energy: 2.0171561528430253
Energy: 1.8794590115559429
Energy: 1.9332576562217938
Energy: 1.9616541935055647
Energy: 1.9332576562208532
Energy: 1.876867796386955
Energy: 2.0908580629215243
Energy: 1.8719436122700974
Energy: 2.0908580629215243
Energy: 1.918596358208745
Energy: 1.9278569956600269
Energy: 1.8676149403625473
Energy: 1.9278569956609677
Energy: 1.9043575751921316
Energy: 2.0389070275586527
Energy: 2.025199774907178
Energy: 2.038907027560534
Energy: 1.9592699407943615
Energy: 1.8777239592101849
Energy: 1.8644307121259074
Energy: 1.8777239592101849
Energy: 2.001215827919681
Energy: 1.9819405225897124
Energy: 1.9164268202428694
Energy: 1.981940522597237

minimum gb energy = 1.8644307121259074 eV
minimum distance =  2.50270358115865 Angstroms
sigma value = 37


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

Energy: 2.2993535380028303
Energy: 1.953369705697653
Energy: 2.627656905759034
Energy: 1.953369705697653
Energy: 2.008064514488835
Energy: 1.9303205319180197
Energy: 1.8806073036377657
Energy: 1.9303205319180197
Energy: 2.013811629649596
Energy: 1.7496504016684753
Energy: 2.2879763828001343
Energy: 1.7496504016684753
Energy: 1.8881019255479747
Energy: 1.953912947435891
Energy: 1.8869081908081529
Energy: 1.9539129474375094
Energy: 1.9568612948796864
Energy: 1.7517263401341647
Energy: 1.9950642404189656
Energy: 1.7517263401341647
Energy: 1.9384347168829257
Energy: 1.947605117462165
Energy: 1.9170059021142491
Energy: 1.947605117462165
Energy: 1.861680213699902
Energy: 1.8089440440387863
Energy: 2.0182718098934753
Energy: 1.8089440440516955
Energy: 1.8499372719251361
Energy: 2.0191722739904048
Energy: 1.9182998723072024
Energy: 2.0191722739904048
Energy: 1.8479752882930685
Energy: 1.8459926265194657
Energy: 1.834337239000943
Energy: 1.8459926265194657
Energy: 1.91149605690292
Energy: 1.8505412925957894
Energy: 1.9111564669570904
Energy: 1.8505412925957894
Energy: 1.8023759850721748
Energy: 1.8299271374359325
Energy: 1.9758189406788
Energy: 1.8299271374343145
Energy: 1.9065036055565645
Energy: 1.8740214750387545
Energy: 2.0305292896961515
Energy: 1.8740214750387545
Energy: 1.996021877250027
Energy: 1.8879703590019172
Energy: 1.9477065280576347
Energy: 1.8879703590019172
Energy: 1.9991845447204288
Energy: 1.9759936551436035
Energy: 1.8873015269050253
Energy: 1.9759936551419852
Energy: 1.906079191127162
Energy: 2.081903939731158
Energy: 1.9848461120987042
Energy: 2.081903939731158
Energy: 2.0401703416015518
Energy: 1.929058810700693
Energy: 1.961624961459262
Energy: 1.929058810700693
Energy: 1.998886242721905
Energy: 1.8874323395291905
Energy: 1.947532562015822
Energy: 1.8874323395291905
Energy: 1.908715841206647
Energy: 1.9752516912922549
Energy: 1.8868600719152182
Energy: 1.9752516912922549
Energy: 1.802406240187809
Energy: 1.8297067053130494
Energy: 1.965186048106291
Energy: 1.8297067053146678
Energy: 1.9081691245050556
Energy: 1.9174366313159676
Energy: 1.9998727429742968
Energy: 1.9174366313143494

minimum gb energy = 1.7496504016684753 eV
minimum distance =  2.4539176096368 Angstroms
sigma value = 25


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

Energy: 2.2488344731098713
Energy: 1.7716290546619569
Energy: 2.44476906218288
Energy: 1.7716290546619569
Energy: 1.8842592156308604
Energy: 1.7372136952377746
Energy: 1.7913300690332448
Energy: 1.7372136952352473
Energy: 1.8041933063455922
Energy: 1.6046424630980198
Energy: 2.1960743335577937
Energy: 1.6046424630980198
Energy: 1.7274045443761263
Energy: 1.8278002766238182
Energy: 1.8000388482210474
Energy: 1.8278002766250818
Energy: 1.9529775066782786
Energy: 1.5518162981570836
Energy: 1.7859009857412684
Energy: 1.5518162981570836
Energy: 1.7260758870135786
Energy: 1.877680446293683
Energy: 1.7595711673468724
Energy: 1.877680446293683
Energy: 1.7547489591561036
Energy: 1.5551780717651917
Energy: 1.9436820495613971
Energy: 1.5551780717651917
Energy: 1.742009462118316
Energy: 1.7751265400988276
Energy: 1.759599879630093
Energy: 1.7751265401000913
Energy: 1.7682627793934222
Energy: 1.5597760542940895
Energy: 1.7438841665972482
Energy: 1.5597760542940895
Energy: 1.7380445670330988
Energy: 1.8306388766500297
Energy: 1.7260357689055026
Energy: 1.8306388766500297
Energy: 1.742375493175236
Energy: 1.5623497925160361
Energy: 1.7951919196610593
Energy: 1.5623497925172996
Energy: 1.703196758837991
Energy: 1.6852791126375566
Energy: 1.7602794158298556
Energy: 1.6852791126362934
Energy: 1.705579462617773
Energy: 1.5540677924563675
Energy: 1.7091421520408674
Energy: 1.5540677924563675
Energy: 1.815585706569221
Energy: 1.6906038054346875
Energy: 1.7410823172555
Energy: 1.6906038054346875
Energy: 1.8520742962997931
Energy: 1.5561391139652476
Energy: 1.7689330811183723
Energy: 1.5561391139652476
Energy: 1.7295920127344404
Energy: 1.7048897276109074
Energy: 1.8004605838902108
Energy: 1.7048897276109074
Energy: 1.8008940131804028
Energy: 1.6093509635552004
Energy: 1.8158965056186582
Energy: 1.6093509635552004
Energy: 1.8048578825279447
Energy: 1.731717946614285
Energy: 1.786315076667106
Energy: 1.7317179467014208
Energy: 2.095895924188734
Energy: 1.719091370201034
Energy: 1.7903160714394335
Energy: 1.71909137019977
Energy: 1.829400177598418
Energy: 1.7792742435302147
Energy: 1.7996427133905297
Energy: 1.7792742435276874
Energy: 1.8882152697318608
Energy: 1.6061592691530073
Energy: 1.8157541631731313
Energy: 1.6061592691542712
Energy: 1.8074957262497229
Energy: 1.7371704366004452
Energy: 1.7878356601583236
Energy: 1.7371704365991814
Energy: 1.8520092139641773
Energy: 1.555995860395276
Energy: 1.7848857666330007
Energy: 1.5559958603965398
Energy: 1.7267510281030722
Energy: 1.8129370747250584
Energy: 1.7484900014114768
Energy: 1.8129370747250584
Energy: 1.7708471234971144
Energy: 1.552920917997783
Energy: 1.7627824198602347
Energy: 1.552920917997783
Energy: 1.7808458467157013
Energy: 1.6610889938532154
Energy: 1.7371927109339065
Energy: 1.6610889938532154

minimum gb energy = 1.5518162981570836 eV
minimum distance =  2.457098037609 Angstroms
sigma value = 41


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

Energy: 2.4119692713848906
Energy: 1.5403838114566242
Energy: 1.9610491441364186
Energy: 1.5403838114576602
Energy: 1.7671976838435468
Energy: 1.8454234935547464
Energy: 1.658311711220232
Energy: 1.8454234935526743
Energy: 1.6526037761372119
Energy: 1.4775955019372604
Energy: 2.1433983346004486
Energy: 1.4775955019362244
Energy: 1.6366435377817319
Energy: 1.7890313576200085
Energy: 1.6563562284126054
Energy: 1.7890313576210444
Energy: 2.1211576087025072
Energy: 1.43668680330013
Energy: 1.6280570618909755
Energy: 1.43668680330013
Energy: 1.634247728441341
Energy: 1.7607064782166082
Energy: 1.5972245119819402
Energy: 1.7607064782166082
Energy: 1.6625626445900454
Energy: 1.4075744741620473
Energy: 1.9106793909137534
Energy: 1.4075744741620473
Energy: 1.6040340583865316
Energy: 1.7400135520238686
Energy: 1.589838722333828
Energy: 1.7400135520249047
Energy: 1.9128129532937945
Energy: 1.4073462251890965
Energy: 1.6502040709630914
Energy: 1.4073462251880604
Energy: 1.5973182984246956
Energy: 1.6819742209108073
Energy: 1.6018232826253165
Energy: 1.6819742209118433
Energy: 1.6525222003811029
Energy: 1.4108785067779326
Energy: 1.7391166943141687
Energy: 1.4108785067779326
Energy: 1.617982332103412
Energy: 1.678084899916799
Energy: 1.5953749704682967
Energy: 1.678084899916799
Energy: 1.764732542227677
Energy: 1.4110561469765974
Energy: 1.6902111069249581
Energy: 1.4110561469765974
Energy: 1.6319746805274873
Energy: 1.5550437501484642
Energy: 1.6154355503594995
Energy: 1.5550437501474283
Energy: 1.58267163108885
Energy: 1.4045489056953013
Energy: 1.6497018702774282
Energy: 1.4045489056953013
Energy: 1.590487357185052
Energy: 1.4204617606403234
Energy: 1.649968202614045
Energy: 1.4204617606403234
Energy: 1.6909310188668298
Energy: 1.4050940734786945
Energy: 1.7817283600321576
Energy: 1.4050940734776582
Energy: 1.6363401434406906
Energy: 1.5700766391970802
Energy: 1.6020312638197078
Energy: 1.5700766391970802
Energy: 1.6161721744724913
Energy: 1.4378261601802136
Energy: 1.6309818646596599
Energy: 1.4378261601802136
Energy: 1.639029746594173
Energy: 1.5650576512184442
Energy: 1.7677061061643884
Energy: 1.56505765121948
Energy: 1.6959122562405406
Energy: 1.4740517586517736
Energy: 1.9488562685442885
Energy: 1.4740517586507378
Energy: 1.8276557817581418
Energy: 1.7572473296126472
Energy: 1.6604597172680569
Energy: 1.757247329610575
Energy: 1.7594869250478127
Energy: 1.535266035089579
Energy: 1.636850990699044
Energy: 1.535266035089579
Energy: 1.770744744929476
Energy: 1.75079239912885
Energy: 1.7192033922983923
Energy: 1.7507923991298862
Energy: 1.7334181448644628
Energy: 1.474293358219375
Energy: 1.9465873355414225
Energy: 1.474293358219375
Energy: 1.6407260304060483
Energy: 1.775851040025508
Energy: 1.6741558390072135
Energy: 1.775851040024472
Energy: 1.6161440315643198
Energy: 1.4345873240890759
Energy: 1.6396642855561692
Energy: 1.4345873240890759
Energy: 1.6306658099132245
Energy: 1.5774403784406306
Energy: 1.6484744244946983
Energy: 1.5774403784427027
Energy: 1.6653513829563826
Energy: 1.4051689105380196
Energy: 1.7786632329862007
Energy: 1.4051689105400915
Energy: 1.6061461258624905
Energy: 1.721527094399677
Energy: 1.6097499089878884
Energy: 1.7215270944007128
Energy: 1.5854451572460253
Energy: 1.4047088398604148
Energy: 1.6371159261283015
Energy: 1.4047088398604148
Energy: 1.5960746905865164
Energy: 1.4096053402923912
Energy: 1.6367098124537913
Energy: 1.409605340293427

minimum gb energy = 1.4045489056953013 eV
minimum distance =  2.52140449538094 Angstroms
sigma value = 15


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

Energy: 2.316182575496687
Energy: 1.4150652619738078
Energy: 1.7867496023942708
Energy: 1.4150652619746855
Energy: 1.6911279610450936
Energy: 1.6831057180544233
Energy: 1.5980442628987153
Energy: 1.6831057180544233
Energy: 1.600021907664043
Energy: 1.3738882365358123
Energy: 1.6829076402448393
Energy: 1.3738882365366896
Energy: 1.5295475914223622
Energy: 1.648371344310856
Energy: 1.5782854370615749
Energy: 1.648371344310856
Energy: 2.0716452868587485
Energy: 1.3355834084927576
Energy: 1.512867537996803
Energy: 1.33558340849188
Energy: 1.5286943529583303
Energy: 1.6502067620390883
Energy: 1.5243326221251676
Energy: 1.6502067620382108
Energy: 1.5706153329353267
Energy: 1.3085572864817334
Energy: 1.6071307837476132
Energy: 1.3085572864808555
Energy: 1.4956172657606628
Energy: 1.6352035878836058
Energy: 1.5133800611967008
Energy: 1.6352035878844835
Energy: 1.7741443161490187
Energy: 1.290757127099507
Energy: 1.5536967272703506
Energy: 1.290757127099507
Energy: 1.487967010290877
Energy: 1.6173370141477117
Energy: 1.4960347901107127
Energy: 1.6173370141485095
Energy: 1.596521985443522
Energy: 1.2899812732544609
Energy: 1.6076011744813228
Energy: 1.2899812732544609
Energy: 1.4923615339204392
Energy: 1.5609012608137676
Energy: 1.5211430021381507
Energy: 1.5609012608137676
Energy: 1.668031298417361
Energy: 1.2932130419542838
Energy: 1.5821117177270707
Energy: 1.2932130419542838
Energy: 1.489751192750461
Energy: 1.543368668283684
Energy: 1.516941663968702
Energy: 1.543368668283684
Energy: 1.6381729090283694
Energy: 1.29269902196924
Energy: 1.5851498952146168
Energy: 1.29269902196924
Energy: 1.5115676503157693
Energy: 1.30893783468916
Energy: 1.532230776977257
Energy: 1.30893783468916
Energy: 1.6220065402469301
Energy: 1.291833037138879
Energy: 1.645712635221724
Energy: 1.2918330371380013
Energy: 1.5414994261071409
Energy: 1.2916014676109315
Energy: 1.4864050072910187
Energy: 1.291601467612687
Energy: 1.7212222768333305
Energy: 1.2928542986892508
Energy: 1.5400392575494564
Energy: 1.2928542986892508
Energy: 1.4955236526313544
Energy: 1.3184421387095027
Energy: 1.5132614984568264
Energy: 1.3184421387095027
Energy: 1.565060000785723
Energy: 1.3098334100246687
Energy: 1.7427360595603838
Energy: 1.3098334100237912
Energy: 1.581572554030295
Energy: 1.435409738648
Energy: 1.5143742750892601
Energy: 1.435409738648
Energy: 1.8437267034593394
Energy: 1.3354513208530576
Energy: 1.5172924817386662
Energy: 1.3354513208530576
Energy: 1.5397648746272745
Energy: 1.4914247804683498
Energy: 1.5908483076793567
Energy: 1.4914247804683498
Energy: 1.6020116572651977
Energy: 1.3732396560663926
Energy: 1.8857222286485038
Energy: 1.3732396560663926
Energy: 1.679112582473196
Energy: 1.5320572561711965
Energy: 1.5676546751203644
Energy: 1.5320572561676857
Energy: 1.9845094531062462
Energy: 1.4155734321647386
Energy: 1.532301470237062
Energy: 1.4155734321638611
Energy: 1.6583849420077368
Energy: 1.6523439787111707
Energy: 1.5935734839312259
Energy: 1.6523439787120482
Energy: 1.6064868945422455
Energy: 1.3732992668817519
Energy: 1.890930849472586
Energy: 1.3732992668817519
Energy: 1.5637143171223815
Energy: 1.4982920026489719
Energy: 1.5724697690807292
Energy: 1.4982920026472168
Energy: 1.843900672223075
Energy: 1.3361687580545325
Energy: 1.5322407796608797
Energy: 1.3361687580545325
Energy: 1.529661626365752
Energy: 1.5216651557669223
Energy: 1.5138208905815553
Energy: 1.5216651557678
Energy: 1.5417716417715264
Energy: 1.309633161539921
Energy: 1.7421283787964454
Energy: 1.309633161539921
Energy: 1.5175887642364474
Energy: 1.5976593582638365
Energy: 1.511761676914018
Energy: 1.5976593582638365
Energy: 1.7212094618872347
Energy: 1.2927291435354025
Energy: 1.5682593803449498
Energy: 1.292729143534525
Energy: 1.493430266172677
Energy: 1.6024480064841655
Energy: 1.4964980815798303
Energy: 1.6024480064841655
Energy: 1.5614902491151084
Energy: 1.2921941405412798
Energy: 1.6535020748416902
Energy: 1.2921941405404025

minimum gb energy = 1.2899812732544609 eV
minimum distance =  2.52790638654698 Angstroms
sigma value = 85


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

Energy: 2.2641934279356715
Energy: 1.5273257086861776
Energy: 1.8088100823765392
Energy: 1.5273257086861776
Energy: 1.526851325299394
Energy: 1.3580011054095558
Energy: 1.5264541394192959
Energy: 1.3580011054095558
Energy: 1.436680969562191
Energy: 1.348635663990185
Energy: 1.9391109291510735
Energy: 1.348635663990185
Energy: 1.448200808308945
Energy: 1.4780019579033634
Energy: 1.5311196127651545
Energy: 1.478001957902602
Energy: 2.05388243970947
Energy: 1.264999863442947
Energy: 1.4080869906835947
Energy: 1.264999863442947
Energy: 1.447802757866426
Energy: 1.4782162299205
Energy: 1.425234312751345
Energy: 1.4782162299227835
Energy: 1.4628869613889905
Energy: 1.25174870486013
Energy: 1.720248730166016
Energy: 1.25174870486013
Energy: 1.4025549534748991
Energy: 1.5504812155843841
Energy: 1.420864694122103
Energy: 1.550481215585145
Energy: 1.8479151610919675
Energy: 1.1985512924886992
Energy: 1.5369938394633373
Energy: 1.1985512924886992
Energy: 1.3987137577475486
Energy: 1.5376479201648383
Energy: 1.3887003939534157
Energy: 1.5376479201655995
Energy: 1.477604503779164
Energy: 1.1989224028984702
Energy: 1.5848405779791936
Energy: 1.1989224028992314
Energy: 1.3931933019403626
Energy: 1.3846519379889364
Energy: 1.386257317670223
Energy: 1.3846519379889364
Energy: 1.607449796717717
Energy: 1.2007343734396903
Energy: 1.453851128855854
Energy: 1.2007343734396903
Energy: 1.4222193336785982
Energy: 1.4390090894670964
Energy: 1.385470644549622
Energy: 1.4390090894670964
Energy: 1.522431014244083
Energy: 1.2006026498598634
Energy: 1.5181552517446815
Energy: 1.2006026498591023
Energy: 1.405604990403315
Energy: 1.429384761133105
Energy: 1.3873935161356905
Energy: 1.4293847611323438
Energy: 1.5245383989800396
Energy: 1.2003884962730045
Energy: 1.4646039976350855
Energy: 1.2003884962730045
Energy: 1.4319321641949112
Energy: 1.1980855457131911
Energy: 1.3868458583872965
Energy: 1.1980855457147135
Energy: 1.602570319684974
Energy: 1.2005347533738202
Energy: 1.5353625898580014
Energy: 1.2005347533738202
Energy: 1.384203067475317
Energy: 1.173449664783925
Energy: 1.400439917989627
Energy: 1.173449664783925
Energy: 1.4776553800668288
Energy: 1.1990717008497773
Energy: 1.6559012976009144
Energy: 1.1990717008490162
Energy: 1.4032547110201248
Energy: 1.1884410303735917
Energy: 1.3894784762763541
Energy: 1.1884410303735917
Energy: 1.6887134778528257
Energy: 1.1992730268942065
Energy: 1.461903863344187
Energy: 1.1992730268942065
Energy: 1.4140056367163876
Energy: 1.3311256097614874
Energy: 1.4433025711022838
Energy: 1.3311256097614874
Energy: 1.4630706778875202
Energy: 1.252637894248962
Energy: 1.4410047649588404
Energy: 1.2526378942482008
Energy: 1.4483877615469363
Energy: 1.342158898450128
Energy: 1.4282509052883061
Energy: 1.342158898453138
Energy: 1.8306119587847238
Energy: 1.2653706168665328
Energy: 1.4081727879324077
Energy: 1.2653706168665328
Energy: 1.4766408881099529
Energy: 1.5044806185177524
Energy: 1.4853391081494658
Energy: 1.5044806185185136
Energy: 1.403438118950799
Energy: 1.3488513991270346
Energy: 1.5591014783259352
Energy: 1.3488513991270346
Energy: 1.5616884210380408
Energy: 1.3690518602272486
Energy: 1.5005601907418462
Energy: 1.3690518602234427
Energy: 1.9960580350764578
Energy: 1.5276716424669705
Energy: 1.4003959495585703
Energy: 1.5276716424669705
Energy: 1.5902711057839742
Energy: 1.3906853736375255
Energy: 1.4832544420024154
Energy: 1.3906853735842777
Energy: 1.434942116492397
Energy: 1.3488936977426524
Energy: 1.5580389912501513
Energy: 1.3488936977426524
Energy: 1.451191716389573
Energy: 1.3592919080005492
Energy: 1.5056358754717172
Energy: 1.3592919079982655
Energy: 1.831120894876538
Energy: 1.2654436340516408
Energy: 1.3993446631648898
Energy: 1.2654436340516408
Energy: 1.4789319038510973
Energy: 1.2395698962473334
Energy: 1.4299625039016843
Energy: 1.2395698962480945
Energy: 1.4287042317458067
Energy: 1.2525873036575508
Energy: 1.440846195549698
Energy: 1.2525873036575508
Energy: 1.4046156985876541
Energy: 1.215657794180135
Energy: 1.4278076175209171
Energy: 1.2156577941808964
Energy: 1.688701462409864
Energy: 1.1991394460336178
Energy: 1.4578854555801528
Energy: 1.1991394460336178
Energy: 1.415003993527147
Energy: 1.334362832811744
Energy: 1.4033064584883423
Energy: 1.334362832811744
Energy: 1.4492886805082705
Energy: 1.19890379190286
Energy: 1.6558948804652576
Energy: 1.19890379190286
Energy: 1.3868304261642195
Energy: 1.187122926576217
Energy: 1.3892187478057465
Energy: 1.187122926575456
Energy: 1.5913899107528666
Energy: 1.1729379161206877
Energy: 1.4633489638951984
Energy: 1.1729379161206877

minimum gb energy = 1.1729379161206877 eV
minimum distance =  2.53570737262753 Angstroms
sigma value = 113


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

Energy: 0.01969326991797124
Energy: 0.020190578390090544
Energy: 2.488858651610171
Energy: 0.020190578390090544
Energy: 0.020053842830667832
Energy: 1.1958115807310925
Energy: 0.020053842829530037
Energy: 1.1958115807310925
Energy: 2.488858651609586
Energy: 0.020190578390090544
Energy: 0.01969326991797124
Energy: 0.020190578390675694
Energy: 0.020053842830667832
Energy: 1.1958115807305074
Energy: 0.020053842829530037
Energy: 1.1958115807310925
Energy: 0.01969326991797124
Energy: 0.020190578390675694
Energy: 2.488858651609586
Energy: 0.020190578390675694
Energy: 0.020053842830667832
Energy: 1.1958115807305074
Energy: 0.020053842830115187
Energy: 1.1958115807310925

minimum gb energy = 0.01969326991797124 eV
minimum distance =  2.71195198858572 Angstroms
sigma value = 1