Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8886456936597833
cohesive_energy=4.17898683463013
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 2.1133190455450198e-23, 8.32032756509076e-20, 2.20296082821732e-19, 3.33994547653542e-19, 4.08463717601862e-19, 4.467621478609979e-19, 4.66331133268674e-19, 4.854066482730779e-19, 5.067075866221079e-19, 5.29453688295006e-19, 5.5267403425156795e-19, 5.7529356397038e-19, 5.963493692944079e-19, 6.15114062031816e-19, 6.31118204428842e-19, 6.441310830501899e-19, 6.54107836950108e-19, 6.611381880201e-19, 6.654015800431739e-19, 6.67708714396134e-19, 6.690561449453279e-19, 6.6949514134304395e-19, 6.6902089705938e-19, 6.67489216197276e-19, 6.64701428854116e-19, 6.60430025947872e-19, 6.54394626567594e-19, 6.46263580150044e-19, 6.3563153600682e-19, 6.22006625911284e-19, 6.04788033625686e-19, 5.832307470152159e-19, 5.56416718868592e-19, 5.23195586362602e-19, 4.82112573113574e-19, 4.3132197163913997e-19, 3.6844454963781e-19, 2.9038650402932996e-19, 1.93071897456804e-19, 7.105236805865159e-20, -1.008996370087644e-19, -3.5172263210875197e-19, -6.78364791188868e-19, -1.0811808361558798e-18, -1.5777610642744739e-18, -2.20917727355724e-18, -3.1257825258686396e-18, -4.641249360436559e-18, -6.8696527536018e-18, -1.0165586438001239e-17, -1.590942171442392e-17, -2.79454852855548e-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: 0.014278254029057236
Energy: 0.11596877237519701
Energy: 0.07605405596477842
Energy: 0.075079610490553
Energy: 0.11581487012513553
Energy: 0.07523366140221138
Energy: 0.11641113621700065
Energy: 0.0748883918915584
Energy: 0.07737459947865587
Energy: 0.017796385364137933
Energy: 0.07696420876805495
Energy: 0.07450858590357572
Energy: 0.11623670069335736
Energy: 0.015441319862957971
Energy: 0.016112902916171155
Energy: 0.07756061033248055
Energy: 0.07437870513281582
Energy: 0.11542271280924987
Energy: 0.07558626973753262
Energy: 0.11827053000221635
Energy: 0.07482335510262672
Energy: 0.07435132661364627
Energy: 0.1157970252504188
Energy: 0.014587413430800097
Energy: 0.07565552054007577
Energy: 0.11567322570251565
Energy: 0.014628633511513662
Energy: 0.014652936290724125
Energy: 0.11558950754237099
Energy: 0.07632933666325992
Energy: 0.016712281777370108
Energy: 0.11601204805269216
Energy: 0.07460291054145848
Energy: 0.07512795384916579
Energy: 0.07667919542366172
Energy: 0.07475829863566714
Energy: 0.0157464148888725
Energy: 0.015064243741330495
Energy: 0.07459950843145188
Energy: 0.015629246578723333
Energy: 0.017628444202713006
Energy: 0.07544955846461779
Energy: 0.07450106497028681
Energy: 0.015476856518081563
Energy: 0.014614666276291065
Energy: 0.07438845731624183
Energy: 0.07614926258391666
Energy: 0.0757825628722753
Energy: 0.07463890558513299
Energy: 0.014483140355353918
Energy: 0.0744062798513786
Energy: 0.07656708208301077
Energy: 0.11901412149547141
Energy: 0.015192522571314069
Energy: 0.014865396897296724
Energy: 0.0747165508140101
Energy: 0.014757201780416328
Energy: 0.016756316118939248
Energy: 0.0742565469851105
Energy: 0.07739740957424113
Energy: 0.014554646331389247
Energy: 0.11611504472222564
Energy: 0.07511466834254614
Energy: 0.11564385371434002
Energy: 0.07509275236908607
Energy: 0.07434273586214632
Energy: 0.014937742129395176
Energy: 0.017453524851021338
Energy: 0.11602608931062257
Energy: 0.07479285063324195

minimum gb energy = 0.014278254029057236 eV
minimum distance =  2.50054115732246 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 2.169726116755895
Energy: 1.64047295075569
Energy: 1.5655454778884703
Energy: 1.4276180045981255
Energy: 1.5480196774981065
Energy: 1.5364615792489489
Energy: 1.5353150805199978
Energy: 1.5443308161927565
Energy: 1.5938961460732872
Energy: 1.6970418213934255
Energy: 1.4421796569803855
Energy: 1.5707326241766997
Energy: 1.6810104508428312
Energy: 1.676255841426099
Energy: 1.67055528094779
Energy: 1.5363607241601696
Energy: 1.529049143668588
Energy: 1.5670505116471418
Energy: 1.5401379433213647
Energy: 1.572196548992645
Energy: 1.5231007060696071
Energy: 1.4414051949271363
Energy: 1.5411240633953263
Energy: 1.5396236952905846
Energy: 1.5653195320401507
Energy: 1.679194157487952
Energy: 1.7050843769382564
Energy: 1.6154922378345569
Energy: 1.638228649572679
Energy: 1.685575576607646
Energy: 1.6764235795900269
Energy: 1.596791773854537
Energy: 1.709694388839946
Energy: 1.7295910960347376
Energy: 1.4707950260406863
Energy: 1.5504904644644373
Energy: 1.5628709506843768
Energy: 1.7478201850804322
Energy: 1.649454641857905
Energy: 1.7421787583637907
Energy: 1.7054651312526368
Energy: 1.7446205823307634
Energy: 1.6673650076557667
Energy: 1.6855186068610026
Energy: 1.5430682111894996
Energy: 1.549397693576323
Energy: 1.5778338710481776
Energy: 1.454112258215049
Energy: 1.5221418536444746
Energy: 1.4596877605989576
Energy: 1.438813548388711
Energy: 1.6354101745877874
Energy: 1.5904773670655739
Energy: 1.5114198132255565
Energy: 1.681585387100271
Energy: 1.520520741727576
Energy: 1.5853764632026999
Energy: 1.4718334409480225
Energy: 1.5001965498027632
Energy: 1.4794340401673856
Energy: 1.489560801988513
Energy: 1.4943935291036365
Energy: 1.4284206538723907
Energy: 1.3955322565295891
Energy: 1.653011971225471
Energy: 1.481646856406104
Energy: 1.5019697988346479
Energy: 1.561374617786224
Energy: 1.513941421741384
Energy: 1.4451994618681419
Energy: 1.4859719219253353
Energy: 1.4849621063810818
Energy: 1.394415547918181
Energy: 1.3965891420187297
Energy: 1.4570310811285554
Energy: 1.4876113640139867
Energy: 1.4769590515419238
Energy: 1.6400691986496172
Energy: 1.6649007366011739
Energy: 1.479980247494011
Energy: 1.7043549629919068
Energy: 1.5530372480022865
Energy: 1.4350749983384856
Energy: 1.4343282539564246
Energy: 1.4421006013473556
Energy: 1.4112561240836896
Energy: 1.366622278325595
Energy: 1.4794386996343747
Energy: 1.4833944648025958
Energy: 1.4866376974211024
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Energy: 1.5866496591035384
Energy: 1.483644511284918
Energy: 1.4761374518568566
Energy: 1.4942503258228694
Energy: 1.4231160907864084
Energy: 1.3986583257732415
Energy: 1.5464877846110878
Energy: 1.5159303781630622
Energy: 1.4773505967866427
Energy: 1.5155167974130679
Energy: 1.4953377821515295
Energy: 1.5874788730706726
Energy: 1.5600293073385714
Energy: 1.6968397036388925
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Energy: 1.4430157413691302
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Energy: 1.5611326651123443
Energy: 1.5268550591541328
Energy: 1.5292920744187712
Energy: 1.615478290530519
Energy: 1.5362400782422552
Energy: 1.7410471725703704
Energy: 1.6550214158123355
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Energy: 1.6511390847436844
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Energy: 1.5137807922441275
Energy: 1.482937557296576
Energy: 1.7704112509119403
Energy: 1.663660300479436
Energy: 1.6325756668606732
Energy: 1.574720576953037
Energy: 1.5805002061067182
Energy: 1.658324563238785
Energy: 1.5848671266578382
Energy: 1.586547110975108
Energy: 1.6418285567642341
Energy: 1.5713625142015553
Energy: 1.7061504589162273
Energy: 1.5515309139594626
Energy: 1.5331425619354824
Energy: 1.5001589430785247
Energy: 1.681790283501875
Energy: 1.5447544415227934
Energy: 1.5668744138946775
Energy: 1.5242954791338466
Energy: 1.6762288163890524
Energy: 1.991252403827278
Energy: 1.5678806863890946
Energy: 1.6340538835838014
Energy: 1.5739069492060094
Energy: 1.4747615348089573
Energy: 1.5372439229995158
Energy: 1.745037499996294
Energy: 1.5275386547913918
Energy: 1.5822135027951334
Energy: 1.5682166783110618
Energy: 1.5756817795462177
Energy: 1.61852460557358
Energy: 1.6759679119280273
Energy: 1.6413076911422015
Energy: 1.7761492990039807
Energy: 1.6547433641684817
Energy: 1.8706525194762504
Energy: 1.7005221134663109
Energy: 1.6116481867574801
Energy: 1.5602973895160825
Energy: 1.6886724225687
Energy: 1.4699408561814413
Energy: 1.4441171678521405
Energy: 1.5210116859216984
Energy: 1.5725406187507278
Energy: 1.6316092730467855
Energy: 1.5376573069987136
Energy: 1.564681319048823
Energy: 1.7432012942428858
Energy: 1.736230708866492
Energy: 1.7899692421015228
Energy: 1.6521855913110632
Energy: 1.6197415941134636
Energy: 1.7008509348075338
Energy: 1.7206808388660428
Energy: 1.4854124060634908
Energy: 1.548816511308959
Energy: 1.5635151786817705
Energy: 1.617045889068913
Energy: 1.7027901492248627
Energy: 1.4685391800194532
Energy: 1.6721754763575907
Energy: 1.7419249552589684
Energy: 1.6850349226502497
Energy: 1.68010835144825
Energy: 1.544354864889789
Energy: 1.524866648752917
Energy: 1.5546791836792788
Energy: 1.4454265941131224
Energy: 1.4992110925856443
Energy: 1.473467619571707
Energy: 1.5473610592541505
Energy: 1.7026991708164123
Energy: 1.5789686632100015
Energy: 1.5185135452789837
Energy: 1.6948163480896632
Energy: 1.499174862777006
Energy: 1.5007502234647871
Energy: 1.5665285423253945
Energy: 1.5130633308116808
Energy: 1.4322933918572478
Energy: 1.4930602966335937
Energy: 1.5494813336523747
Energy: 1.4458809196197764
Energy: 1.3877456966281623
Energy: 1.6521436859141951
Energy: 1.4670300900579758
Energy: 1.4432169504159782
Energy: 1.6461857492107834
Energy: 1.6232819976641275
Energy: 1.5003489391778482
Energy: 1.4932991865501206
Energy: 1.42761804574596
Energy: 1.3934111294678517
Energy: 1.3913276912025971
Energy: 1.4417939284528714
Energy: 1.4172230623354733
Energy: 1.4003232125762668
Energy: 1.525810128930876
Energy: 1.4979358387872495
Energy: 1.457007007664452
Energy: 1.5494453942340698
Energy: 1.5644142630062035
Energy: 1.4654449333220965
Energy: 1.437159103465247
Energy: 1.3907980580696822
Energy: 1.4205193108434737
Energy: 1.3929356686127055
Energy: 1.4318042664881103
Energy: 1.4888055877398096
Energy: 1.4937681099163664
Energy: 1.5680228445202398
Energy: 1.5862798023326639
Energy: 1.4790831379056424
Energy: 1.4778910895256039
Energy: 1.4925588452054832
Energy: 1.6418761465840521
Energy: 1.4137510544381295
Energy: 1.4402059973905665
Energy: 1.5236280783911733
Energy: 1.442029085098859
Energy: 1.5068329025754175
Energy: 1.5002964483740517
Energy: 1.5695461914042121
Energy: 1.5068246419941163
Energy: 1.6912417889531772
Energy: 1.6051507308052464
Energy: 1.5793453431986306
Energy: 1.7372699410391752
Energy: 1.6588710763315981
Energy: 1.4587641539907876
Energy: 1.536205308574934
Energy: 1.4864209083998183
Energy: 1.5277157841561928
Energy: 1.5290371052861793
Energy: 1.5333273232140827
Energy: 1.64677790615238
Energy: 1.675947758045831
Energy: 1.6654567532881446
Energy: 1.611187543817599
Energy: 1.5806303899411172
Energy: 1.6854781217707442
Energy: 1.6151262728609683
Energy: 1.5663126653486035
Energy: 1.5035418716144324
Energy: 1.4902474441969507
Energy: 1.4920706284531886
Energy: 1.5551151950352051
Energy: 1.5276449514908508
Energy: 1.498268714578157
Energy: 1.6944107687273808
Energy: 1.6577687034357411
Energy: 1.6797945661046456
Energy: 1.5677310729008322
Energy: 1.6319206960625088
Energy: 1.5570293445161965
Energy: 1.740275404552705
Energy: 1.5753676275422337
Energy: 1.536339715505381
Energy: 1.4770601799319365
Energy: 1.6931813728405374
Energy: 1.6118401089401266
Energy: 1.5463023485025877
Energy: 1.6503507125533623
Energy: 1.6895593708897139
Energy: 1.7248177943993104

minimum gb energy = 1.366622278325595 eV
minimum distance =  2.25850754784796 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.3926245701238082
Energy: 1.6390809668381159
Energy: 1.6503821115009636
Energy: 1.6946205735336006
Energy: 1.6613771396562176
Energy: 1.6700540580131504
Energy: 1.4934559101832101
Energy: 1.5924936951232194
Energy: 1.6835505659652368
Energy: 1.65664536053689
Energy: 1.8028271923575965
Energy: 1.7997503718619405
Energy: 1.794131410489111
Energy: 1.7823961770329138
Energy: 1.50216447306366
Energy: 1.804530760510599
Energy: 1.7577568566878825
Energy: 1.6599205565335804
Energy: 1.6399551906422862
Energy: 1.6670660717354722
Energy: 1.6296623047350791
Energy: 1.513667081864999
Energy: 1.6501153592379965
Energy: 1.525634347352034
Energy: 1.8367150464940765
Energy: 1.6683409125864634
Energy: 1.7172915228465957
Energy: 1.7214337926821521
Energy: 1.6557969848670682
Energy: 1.6385797775279525
Energy: 1.680921038900143
Energy: 1.6757431631339315
Energy: 1.6720253459579948
Energy: 1.6215466504680194
Energy: 1.7013866372759767
Energy: 1.497783723058762
Energy: 1.4896794324351776
Energy: 1.7615487306537954
Energy: 1.749646598694756
Energy: 1.8953360806984798
Energy: 1.7414024575898188
Energy: 1.6635372941029218
Energy: 1.5793804758503274
Energy: 1.6046120923869898
Energy: 1.5735786998669623
Energy: 1.484410482812117
Energy: 1.5188492882080067
Energy: 1.5376198150018663
Energy: 1.7856506027823122
Energy: 1.5215720511868502
Energy: 1.6124930844430907
Energy: 1.7245218627971828
Energy: 1.5716653755530576
Energy: 1.5691576715324977
Energy: 1.6257773288829476
Energy: 1.4956981129777052
Energy: 1.4572100019003709
Energy: 1.604210468196064
Energy: 1.5399897087886132
Energy: 1.5245802986027437
Energy: 1.513747201347256
Energy: 1.6004446984967702
Energy: 1.5481694793796599
Energy: 1.581705978686687
Energy: 1.835222242112099
Energy: 1.425274394880692
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Energy: 1.6271558508499375
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Energy: 1.5439163388671011
Energy: 1.556047501982863
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Energy: 1.565886331829071
Energy: 1.661430870064538
Energy: 1.7092256465099487
Energy: 1.6908620672673929
Energy: 1.722711998345831
Energy: 1.6905472549288685
Energy: 1.4648376004655832
Energy: 1.7116678311257194
Energy: 1.5885803259674673
Energy: 1.6073989353764642
Energy: 1.634321548572455
Energy: 1.657781145232708
Energy: 1.681081581519942
Energy: 1.7833388297721473
Energy: 1.7635627105032743
Energy: 1.7144037574511208
Energy: 1.4820253217787367
Energy: 1.8766496005716542
Energy: 1.814289148895661
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Energy: 1.6565352578112942
Energy: 1.7434723443042268
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Energy: 1.9924531891193744
Energy: 1.8306041341373054
Energy: 1.5660384818534774
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Energy: 1.5497005098142869
Energy: 1.743022954091051
Energy: 1.6458898046752473
Energy: 1.5873976142189523
Energy: 1.6042920358714419
Energy: 1.736189598051534
Energy: 1.805488043184179
Energy: 1.4971353399078091
Energy: 1.791974153501042
Energy: 1.8902331144239781
Energy: 1.8512911185497114
Energy: 1.7291647980243328
Energy: 1.6510305694497127
Energy: 1.7023978580075712
Energy: 1.587088434257519
Energy: 1.6740406513717119
Energy: 1.5117428876628385
Energy: 1.664519775933564
Energy: 1.7458336142077158
Energy: 1.6427798046400104
Energy: 1.5894049537112562
Energy: 1.8566323970764744
Energy: 1.9833235635374085
Energy: 1.7248962630102254
Energy: 1.717898871100613
Energy: 1.6733582142978092
Energy: 1.6700349834838106
Energy: 1.615754391985273
Energy: 1.7095516900154966
Energy: 1.6349290066048563
Energy: 1.488028525852752
Energy: 1.512522226671583
Energy: 1.7734887589227357
Energy: 1.5579502220329529
Energy: 1.4571698293255715
Energy: 1.7989049690352479
Energy: 1.6606198948860067
Energy: 1.5521856336188027
Energy: 1.7422681316042987
Energy: 1.5573269632899212
Energy: 1.506664542686275
Energy: 1.4813068187606668
Energy: 1.520664614067982
Energy: 1.5573221323686712
Energy: 1.5247689706857
Energy: 1.6534212048896333
Energy: 1.7028683237591211
Energy: 1.4774887891228696
Energy: 1.7933462171869499
Energy: 1.6013455304959578
Energy: 1.5276268486011573
Energy: 1.5474789115037209
Energy: 1.618778038983573
Energy: 1.5138877604799774
Energy: 1.4851846346441424
Energy: 1.5356108995100781
Energy: 1.5801915021784965
Energy: 1.603344045864386
Energy: 1.6135484545133632
Energy: 1.8361358751491401
Energy: 1.4427247511780792
Energy: 1.636135935892848
Energy: 1.5980059894630443
Energy: 1.6633337812041562
Energy: 1.4986712877090178
Energy: 1.5347233168518417
Energy: 1.5359728366479792
Energy: 1.5382772669824458
Energy: 1.6125001992990586
Energy: 1.632235518539263
Energy: 1.6329693359112678
Energy: 1.6334433190448774
Energy: 1.770474037588922
Energy: 1.7172537878104481
Energy: 1.7509512961935811
Energy: 1.8168294823453728
Energy: 1.7716098051863607
Energy: 1.580231498226588
Energy: 1.530303868992499
Energy: 1.6658721556365934
Energy: 1.762242269702777
Energy: 1.789095428861161
Energy: 1.71710086786644
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minimum gb energy = 1.425274394880692 eV
minimum distance =  2.26796150773613 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.4992521709464992
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Energy: 1.6849365221895425
Energy: 1.7961020931094491
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Energy: 1.6801397474391064
Energy: 1.6841337200889495
Energy: 1.650265381860217
Energy: 1.661959791671285
Energy: 1.9718509325449673
Energy: 1.6611527443678482
Energy: 1.601620030479399
Energy: 1.782654435808258
Energy: 1.683935071426818
Energy: 1.7143124157654714
Energy: 1.6278741845684939
Energy: 1.5922761758692303
Energy: 1.7045098590150902
Energy: 1.5364610125712173
Energy: 1.5252266261357605
Energy: 1.525520365613289
Energy: 1.7967761219639222
Energy: 1.6336055386506567
Energy: 1.6781218865332634
Energy: 1.6427029650744625
Energy: 1.6254254781294892
Energy: 1.565955945320686
Energy: 1.6287844500393522
Energy: 1.5481771641642306
Energy: 1.536085077199413
Energy: 1.4865901248995164
Energy: 1.5770776306415482
Energy: 1.6080764359908328
Energy: 1.4927912163747648
Energy: 1.6127390803905968
Energy: 1.8190718748714712
Energy: 1.494016646142885
Energy: 1.5785509013336618
Energy: 1.585176832649469
Energy: 1.4999663612053995
Energy: 1.480999773137856
Energy: 1.577640721672877
Energy: 1.5611405441347086
Energy: 1.553098569896802
Energy: 1.6146239094065475
Energy: 1.664273044393819
Energy: 1.694850407681631
Energy: 1.7444058010171872
Energy: 1.8597021723177818
Energy: 1.4762052460371158
Energy: 1.5356170094887338
Energy: 1.537084331203309
Energy: 1.6355685341033284
Energy: 1.6069546356186954
Energy: 1.6454150747237792
Energy: 1.8154530040555872
Energy: 1.752706797953933
Energy: 1.8072784290438688
Energy: 1.7566891620095038
Energy: 1.7635261538541058
Energy: 1.8446341575188065
Energy: 1.494271289911076
Energy: 1.7467306858973821
Energy: 1.660378863406582
Energy: 1.5230959348239812
Energy: 1.663761652306849
Energy: 1.6730559434664867
Energy: 1.7907435167943133
Energy: 1.7701204859110422
Energy: 1.7527395959220595
Energy: 1.8128830023865785
Energy: 1.8020011534676446

minimum gb energy = 1.416531467283381 eV
minimum distance =  2.25753396327638 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.9764947192307871
Energy: 1.6440443776768305
Energy: 1.6213481766722377
Energy: 1.5774462840741814
Energy: 1.4895649240758193
Energy: 1.89187529277974
Energy: 1.6806515258555819
Energy: 1.772200914830456
Energy: 1.8144116306009577
Energy: 1.4822976442838112
Energy: 1.7505891347422153
Energy: 1.6170570464248937
Energy: 1.4361591577286534
Energy: 1.7828880569147116
Energy: 1.6075524123190443
Energy: 1.653205387936662
Energy: 1.5882910234993917
Energy: 1.4873350087812685
Energy: 1.611093230268077
Energy: 1.4955177241697997
Energy: 1.5171306906728776
Energy: 1.5915176082020241
Energy: 1.6732477882064134
Energy: 1.578133420220268
Energy: 1.851438546488395
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Energy: 1.7152465517664404
Energy: 1.584746681453575
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Energy: 1.7727429906076357
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Energy: 1.5417298535924493
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Energy: 1.7174624319356786
Energy: 2.0409324048903636
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Energy: 1.7694370215523154
Energy: 1.6904206447054115
Energy: 1.7850277951811637
Energy: 1.7772797971383076
Energy: 1.7009547776442306
Energy: 1.5970067842768043
Energy: 1.4846067775893979
Energy: 1.6242362062743072
Energy: 1.6839723984506165
Energy: 1.8224346168083967
Energy: 1.6501401919878032
Energy: 1.819555020118686
Energy: 1.634110147097396
Energy: 1.6412898966178526
Energy: 1.800994777575989
Energy: 1.8043612995306542
Energy: 1.527673529243246
Energy: 1.6452182214293276
Energy: 1.5637912819728854
Energy: 1.4872070513455802
Energy: 1.5003397361448698
Energy: 1.434658175547697
Energy: 1.4382104453919196
Energy: 1.4463857975466567
Energy: 1.4981050841491004
Energy: 1.7675224878361673
Energy: 1.6184196200721164
Energy: 1.5554511818384251
Energy: 1.5490293018864356
Energy: 1.4651197674463439
Energy: 1.4500019799456474
Energy: 1.459558509756621
Energy: 1.4130465565080372
Energy: 1.4290333587625197
Energy: 1.5405394413537925
Energy: 1.5417384643499976
Energy: 1.6192048777356622
Energy: 1.5031526715189234
Energy: 1.5508735523654111
Energy: 1.4850436490095578
Energy: 1.4149459233928037
Energy: 1.4859299905561896
Energy: 1.4610340539273066
Energy: 1.4800748284316996
Energy: 1.436020386658007
Energy: 1.5037265661999402
Energy: 1.575809815459328
Energy: 1.7602992249758282
Energy: 1.8373758618918314
Energy: 1.6700070049666353
Energy: 1.649349152790201
Energy: 1.4294900331314522
Energy: 1.5812624036829437
Energy: 1.4826643918079137
Energy: 1.599271539273381
Energy: 1.5366342954455785
Energy: 1.500372956935895
Energy: 1.4344049887638515
Energy: 1.686072639754997
Energy: 1.5756802140502693
Energy: 1.6384656134499251
Energy: 1.8038564178365954

minimum gb energy = 1.4127910200306353 eV
minimum distance =  2.28600404704488 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.6764342818272913
Energy: 1.8320403453771597
Energy: 1.4002738501031329
Energy: 1.50437201101652
Energy: 1.346689610940293
Energy: 1.893181655368312
Energy: 1.5514151294617056
Energy: 1.7877235105580358
Energy: 1.5708724503606835
Energy: 1.8526713697109582
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Energy: 1.2750269136938797
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Energy: 1.3094750499357422
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Energy: 1.2921568812440967
Energy: 1.87380148775223
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Energy: 1.454462772105951
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Energy: 1.8875646486854862
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Energy: 1.4284974458047288
Energy: 1.3213183726009212
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Energy: 1.3977619963591068
Energy: 1.5347077938019917
Energy: 1.5050893571708335
Energy: 1.559378377189623
Energy: 1.5291832944127794
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Energy: 1.716825092092264
Energy: 1.437374992260475
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Energy: 1.2763241931826206
Energy: 1.3225306828336634
Energy: 1.4627082597639585
Energy: 1.485338271313422
Energy: 1.5303914653700512
Energy: 1.6486054109812314
Energy: 1.5036807817132594
Energy: 1.4250290063668316
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Energy: 1.8734071275946877
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Energy: 1.5047664147215911
Energy: 1.3091436250401676
Energy: 1.322297851147752
Energy: 1.445741602491911
Energy: 1.5740940337051152
Energy: 1.5193578027242804
Energy: 1.4871803924070899
Energy: 1.3224132007527034
Energy: 1.4685905867134403
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Energy: 1.812642688600506
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Energy: 1.3444726027245049
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Energy: 1.3710180039551327
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Energy: 1.3363378305225941
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Energy: 1.4252144662946733
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Energy: 1.2580295492917029
Energy: 1.5189938833312875
Energy: 1.30953765289807
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Energy: 1.2589252318600446
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Energy: 1.519233269786087
Energy: 1.50491685058201
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Energy: 1.6002501486473344
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Energy: 1.5434943828163599
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Energy: 1.5266079781521356
Energy: 1.376002292354577
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Energy: 1.4169382962475097
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Energy: 1.3373675093259478
Energy: 1.308667257444765
Energy: 1.3213543837716155
Energy: 1.8500146597172933
Energy: 1.5805560750702037
Energy: 1.3429580425037861
Energy: 1.2581519157112508
Energy: 1.499228338574342
Energy: 1.5598538587878044
Energy: 1.6995871040208688
Energy: 1.8634046573903975
Energy: 1.874513445285822
Energy: 1.3105550502096817
Energy: 1.5920213298364192
Energy: 1.7990124005257553
Energy: 1.5752194450160613
Energy: 1.5411696327066942
Energy: 1.5897968941514122
Energy: 1.5022740079199548
Energy: 1.4868220780753314
Energy: 1.5017957755959768
Energy: 1.3327337111246018
Energy: 1.505987014365145
Energy: 1.5479636566548038
Energy: 1.3487828424755086
Energy: 1.4081540082167936
Energy: 1.7850791416973926
Energy: 1.6109286196587016
Energy: 1.5079613337421183
Energy: 1.2584634907646932
Energy: 1.336479079674058
Energy: 1.3625483976496617
Energy: 1.5967446769721956
Energy: 1.2576705593390038
Energy: 1.3425708877684384
Energy: 1.3087157006233392
Energy: 1.5263881671868755
Energy: 1.5003002801327878
Energy: 1.502370401384494
Energy: 1.6121291530480721
Energy: 1.5272656457077962
Energy: 1.44896645504829
Energy: 1.3457991429097513
Energy: 1.307187914675706
Energy: 1.3312756048391698
Energy: 1.257568368385319
Energy: 1.307918355092126
Energy: 1.5271460735880402
Energy: 1.562606512189746
Energy: 1.5337667447386814
Energy: 1.4987753549314344
Energy: 1.493666812679152
Energy: 1.3936402169758622
Energy: 1.3043354843105888
Energy: 1.3206054924975614
Energy: 1.2590543030038417
Energy: 1.4619414724044248
Energy: 1.3391457400653402
Energy: 1.3738733511793995
Energy: 1.5402079320147346
Energy: 1.6531324808165306
Energy: 1.428543699807552
Energy: 1.3358270130129695
Energy: 1.420971816382869
Energy: 1.5183311053810389
Energy: 1.4480984247556998
Energy: 1.4445407233861742
Energy: 1.3365532052389104
Energy: 1.2580200547923552
Energy: 1.6530854206947823
Energy: 1.5605595525239961
Energy: 1.8815049172008007
Energy: 1.8736041743333882

minimum gb energy = 1.254725405105248 eV
minimum distance =  2.27751402318337 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 1.787918288865549
Energy: 1.800711789765924
Energy: 1.4998043409075106
Energy: 1.4934040325009212
Energy: 1.6050662775173166
Energy: 1.7005989387524325
Energy: 1.7518006514691378
Energy: 1.7198423779852439
Energy: 1.8919466762685255
Energy: 1.63627818681109
Energy: 1.8237554283304473
Energy: 1.8062186912260907
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Energy: 1.8760300855529237
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Energy: 1.5491216030554764
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Energy: 1.4568171494001043
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Energy: 1.689442970653332
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Energy: 1.3119220374575502
Energy: 1.3831700156691837
Energy: 1.4978751933197698
Energy: 1.4780346875357984
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Energy: 1.8664744234711825
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Energy: 1.396760116708486
Energy: 1.3371814382520268
Energy: 1.4801171088202927
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Energy: 1.845508878486575
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Energy: 1.494373509627726
Energy: 1.5109000825839374
Energy: 1.5266047805323304
Energy: 1.737029404748388
Energy: 1.7032703534523452
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Energy: 1.6894523645765018
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Energy: 1.8127573350006778
Energy: 1.8479028300688276
Energy: 1.7507033501397575
Energy: 1.9845040617070078
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Energy: 1.8550543674563658
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Energy: 1.7972267653351695
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Energy: 1.5730709049553748
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Energy: 1.7216999182089276
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Energy: 1.7085317033596088
Energy: 1.7653397286554828
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Energy: 1.4855783472213995
Energy: 1.5065802790774887
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Energy: 1.3936019950977279
Energy: 1.392438546637198
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Energy: 1.4220329051842495
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Energy: 1.813352564738122
Energy: 1.876057459217053
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Energy: 1.5715609102671713
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Energy: 1.5054937167472038
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Energy: 1.6670280256739372
Energy: 1.8126264996079529
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Energy: 1.7875635387439477
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Energy: 1.818861886784243
Energy: 1.733143965520337
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Energy: 1.881879424617457
Energy: 1.7278256672982852
Energy: 1.7824400911482943
Energy: 1.9092212891286338
Energy: 1.8010637023514693
Energy: 1.965184557799914
Energy: 1.7418110785350644
Energy: 1.6935207867508677
Energy: 2.0628881255935494
Energy: 1.6523566680487451
Energy: 1.6655627824719326
Energy: 1.5491380673378172
Energy: 1.5400089398370802
Energy: 1.6864260060192748
Energy: 1.4975049459824967
Energy: 1.8725490331457884
Energy: 1.7133684019414355
Energy: 1.7604518586605435
Energy: 1.763361546244316
Energy: 1.8297302674561693
Energy: 1.5160600598645668
Energy: 1.4923570445653231
Energy: 1.3875072138851465
Energy: 1.3306955246054029
Energy: 1.4640664599155324
Energy: 1.5069288338494107
Energy: 1.5241647008429824
Energy: 1.4938582725928284
Energy: 1.7528463573502155
Energy: 1.8625886182635585
Energy: 1.6738081965406626
Energy: 1.316336346887167
Energy: 1.3173776227377128
Energy: 1.4595802575928503
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Energy: 1.7267338455134638
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Energy: 1.8779369999053837
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Energy: 1.7668955611808594
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Energy: 1.6660018609232872
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Energy: 1.5046946254179039
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Energy: 1.548736126491852
Energy: 1.3950798996640386
Energy: 1.4390360751136746
Energy: 1.386372988051755
Energy: 1.5190709976152728
Energy: 1.492110149194692
Energy: 1.7140415854206577
Energy: 1.7287860753914222
Energy: 1.686378720468515
Energy: 1.8089270736422818
Energy: 1.5771417135974195
Energy: 1.7349062826181787
Energy: 1.471711878300061
Energy: 1.5896329810983105
Energy: 1.539177558350412
Energy: 1.46509045380908
Energy: 1.4908953132110554
Energy: 1.7036982865788222
Energy: 1.7441279348266716
Energy: 1.9358550885936443
Energy: 1.811289657782982
Energy: 1.9144003781281484
Energy: 1.7957627197512134
Energy: 1.5399329986974177
Energy: 1.4991793643493505
Energy: 1.563176679415971
Energy: 1.7003192649810743
Energy: 1.7714168877792764
Energy: 1.9334959955884925
Energy: 1.639799212283195
Energy: 1.792378299658623
Energy: 1.9210976174448613
Energy: 1.6280442152303265
Energy: 1.9838804789543278
Energy: 1.8055631163576973
Energy: 1.7658482502310107
Energy: 1.770997576120157
Energy: 1.7310780718643286
Energy: 1.49777377316149
Energy: 1.5459078637398984
Energy: 1.54647217785869
Energy: 1.4654887076253444
Energy: 1.580382595227302
Energy: 1.5108759909813954
Energy: 1.7819740791825798
Energy: 1.822606640885134
Energy: 1.9675124792558227
Energy: 1.6476426491486413
Energy: 1.500475016021385
Energy: 1.4294109698614252
Energy: 1.3758469106545275
Energy: 1.4431713143763456
Energy: 1.5184076670107358
Energy: 1.481001807047288
Energy: 1.7445532950901257
Energy: 1.7379464740585573
Energy: 1.825426033934042
Energy: 1.6791511876236516
Energy: 1.5054281454087546
Energy: 1.2987459396844614
Energy: 1.3452163106816761
Energy: 1.457023132472572
Energy: 1.5027776185478012
Energy: 1.3107643642496345
Energy: 1.5595579844276821
Energy: 1.5709075462743658
Energy: 1.7580659453672522
Energy: 1.9138248626796694
Energy: 1.8095424970405185
Energy: 1.7605028597340076
Energy: 1.6885606745313353
Energy: 1.48149312130204
Energy: 1.5059968483063617
Energy: 1.4927602942177387
Energy: 1.2431712320550306
Energy: 1.50009888480429
Energy: 1.519294846724342
Energy: 1.931168136808626

minimum gb energy = 1.2431712320550306 eV
minimum distance =  2.24406956349545 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 2.5156005876373624
Energy: 1.8427448918092366
Energy: 1.766576737213383
Energy: 1.4831953861534408
Energy: 1.597768040697295
Energy: 1.729594749566637
Energy: 1.7562704470346098
Energy: 1.783874213739801
Energy: 1.7902890493032513
Energy: 1.7429772885360748
Energy: 1.3521236505139695
Energy: 1.7659100307989684
Energy: 1.8296939292165775
Energy: 2.2087719889064674
Energy: 1.6435296957678958
Energy: 1.6868627920292916
Energy: 1.7141577288016527
Energy: 1.7227320866287603
Energy: 1.4757912956279255
Energy: 1.4284393183640427
Energy: 1.4170540284849023
Energy: 1.5013362057877624
Energy: 1.8839435780834557
Energy: 1.6058106781351038
Energy: 1.7984340766878057
Energy: 1.6739956823639408
Energy: 1.6689637184528998
Energy: 1.6274271830479372
Energy: 1.3545036671920525
Energy: 1.4197539776082986
Energy: 1.3388162189667379
Energy: 1.3349232157944138
Energy: 1.6416896201298612
Energy: 1.7336750202097757
Energy: 1.5976295188483804
Energy: 1.7475219390132044
Energy: 1.7588319477042513
Energy: 1.6254536157639132
Energy: 1.393852051376678
Energy: 1.4143993841395086
Energy: 1.3432090384952806
Energy: 1.4771241584735615
Energy: 1.6861039673587186
Energy: 1.591925428072648
Energy: 1.6887053023455505
Energy: 1.6174810233264554
Energy: 1.9141085589687798
Energy: 1.8512464490268068
Energy: 1.4019486508384245
Energy: 1.4403096740328383
Energy: 1.688348709497992
Energy: 1.7510572787402665
Energy: 1.7343126700086917
Energy: 1.7965245128571388
Energy: 1.717275798526419
Energy: 1.6404700532046985
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Energy: 1.7339541836294823
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Energy: 1.8046973558830763
Energy: 1.7061767794563147
Energy: 1.709363938102509
Energy: 1.8461516903756814
Energy: 1.6384378335385528
Energy: 1.5545954826998027
Energy: 1.5636933485231794
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Energy: 1.741277646773379
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Energy: 1.8981728567484917
Energy: 1.9251640820340508
Energy: 1.9759808864354127
Energy: 1.927048944296015
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Energy: 1.5362831686409686
Energy: 1.3961153233272636
Energy: 1.4625467722703547
Energy: 1.4304331453330381
Energy: 1.51692891756837
Energy: 1.9059330383331539
Energy: 1.7662425342054875
Energy: 1.9155203587996517
Energy: 1.9358444210155756
Energy: 1.4412836163292293
Energy: 1.5015777357300233
Energy: 1.431620710577337
Energy: 1.3759846237540183
Energy: 1.4682466538690981
Energy: 1.5134822917934712
Energy: 1.5060369067231494
Energy: 1.9551023024058118
Energy: 1.539711145706005
Energy: 1.7423705039200459
Energy: 1.788952201721003
Energy: 1.4522192662964692
Energy: 1.8185123459654637
Energy: 1.452641648151967
Energy: 1.5157893848408575
Energy: 1.552968584878896
Energy: 1.5268422047835482
Energy: 1.758891520432405
Energy: 1.82037844984152
Energy: 1.7669177072472342
Energy: 2.068029700801893
Energy: 1.8495643159918798
Energy: 1.7235575928671123
Energy: 1.5344585011263134
Energy: 1.673500236081121
Energy: 1.8609964942953898
Energy: 1.7799514692173286
Energy: 1.7287013280416768
Energy: 1.4777286490412087
Energy: 1.412719280141273
Energy: 1.41954240165205
Energy: 1.8814645930507707
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Energy: 1.7300346510942204
Energy: 1.758706009906326

minimum gb energy = 1.2681816275707318 eV
minimum distance =  2.26647886380058 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.3329222123500886
Energy: 1.315605704323635
Energy: 1.31541307837571
Energy: 1.4242808324464475
Energy: 1.3876976759204696

minimum gb energy = 1.3010815605430706 eV
minimum distance =  2.32809253101532 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.788309542015363
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Energy: 1.6751545304990678
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minimum gb energy = 1.4364055430302534 eV
minimum distance =  2.26035046735288 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.7763773675635801
Energy: 1.9433187385638884
Energy: 1.778438008405383
Energy: 1.8779593804617942
Energy: 1.6996160297151532
Energy: 1.7672284684899806
Energy: 1.8927716210102705
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Energy: 1.4725154236983868
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Energy: 1.79825464524651
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Energy: 1.6013839793212663
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Energy: 1.6580986524392056
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Energy: 1.6044683064759542
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Energy: 1.7797953314129729
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Energy: 1.826752066636654
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Energy: 1.602409827600353
Energy: 1.581690254282465
Energy: 1.5663484338348377
Energy: 1.5953536825075165
Energy: 1.5836239319078693
Energy: 1.610630458787029
Energy: 1.726955114313567
Energy: 1.822859870617387
Energy: 1.6255532479876618
Energy: 1.8960105065528152
Energy: 1.5886816193384323
Energy: 1.6173918400377925
Energy: 1.586853332259463
Energy: 1.5602044383760203
Energy: 1.596878662281459
Energy: 1.5981267551542553
Energy: 1.74660075975875
Energy: 1.4870492945242695
Energy: 1.5852961323084933
Energy: 1.8339954440278996
Energy: 1.6017620683325553
Energy: 1.6335264444268822
Energy: 1.6008075207748211
Energy: 1.56832631527083
Energy: 1.5735157597008798
Energy: 1.6511700318649793
Energy: 1.6651767721932067
Energy: 1.8605230315775756
Energy: 1.996610349331191
Energy: 1.82227079005054
Energy: 1.6102475384197918
Energy: 1.5975140852173793
Energy: 1.7825316001530829
Energy: 1.6741654253581792
Energy: 1.6799828555153054
Energy: 1.8569044269339101
Energy: 1.604045499841772
Energy: 1.4656116162612205
Energy: 1.8708100991299175
Energy: 1.8550725687228378
Energy: 1.936807003054033
Energy: 1.7943763359508311
Energy: 1.7737637777489728
Energy: 1.733380965150938
Energy: 1.7531118517377071
Energy: 1.4798221861550893
Energy: 1.55263053942523
Energy: 1.4872434017046536
Energy: 1.6027683789436453
Energy: 1.626616115850734
Energy: 1.613465701976496
Energy: 1.8124575129930884
Energy: 1.708062059415097
Energy: 1.6749653487017178
Energy: 1.5958861721781148
Energy: 1.4362951318189507
Energy: 1.5217075721010522
Energy: 1.4644029298361085
Energy: 1.7394819331955156
Energy: 1.7088637382836767
Energy: 1.6021511423593184
Energy: 1.7220019997029394
Energy: 1.5105478401557841
Energy: 1.7157800437472015
Energy: 1.6433794542697822
Energy: 1.4739006841420192
Energy: 1.4939672964143125
Energy: 1.5910055449251592
Energy: 1.8763217755573394
Energy: 1.7088521165649002
Energy: 1.9011500832125114
Energy: 1.8807330324922378

minimum gb energy = 1.4174885588966646 eV
minimum distance =  2.25030371546806 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

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Energy: 1.38522449339209
Energy: 1.3870291055429875
Energy: 1.854718572016757
Energy: 1.370570902642726
Energy: 1.5265535193204527
Energy: 1.3597470616711218
Energy: 1.4537529390727537
Energy: 1.3902239290314435
Energy: 1.5317640208948864
Energy: 1.4503883970066622
Energy: 1.7195843179169663
Energy: 1.416990772657455
Energy: 1.4674740656073573
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Energy: 1.4562944748496403
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Energy: 1.592440789581405
Energy: 1.3686514721860692
Energy: 1.4920422691182411
Energy: 1.5108033609017897
Energy: 1.3824325023815631
Energy: 1.3870716292886696
Energy: 1.6594791442871095
Energy: 1.3849327995243452
Energy: 1.4619104651626622
Energy: 1.472267101507761
Energy: 1.45354108906035
Energy: 1.3833754152707929
Energy: 1.3653480282622792
Energy: 1.471151804692438
Energy: 1.6107502049242897
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Energy: 1.488709959242477
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Energy: 1.3833821000793673
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Energy: 1.6170134217043266
Energy: 1.7444180712288824
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Energy: 1.4604130349322086
Energy: 1.3819368886984378
Energy: 1.2010442269722663
Energy: 1.454064350891805
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Energy: 1.3166565331632836
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Energy: 1.383730292228152
Energy: 1.4562556179520476
Energy: 1.4600932289602013
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Energy: 1.5420166587466224
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Energy: 1.8771857654079493
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Energy: 1.3915784801738063
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Energy: 1.36127572605203
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Energy: 1.4629930640033286
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Energy: 1.2233225796699045
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Energy: 1.7437542797246517
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Energy: 1.460883583292874
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Energy: 1.4596401653989348
Energy: 1.5315689394134215
Energy: 1.7598965068743322
Energy: 1.3847358207356961
Energy: 1.389903509507794
Energy: 1.8791418642523028
Energy: 1.3838680738662001
Energy: 1.4565303996588936
Energy: 1.4600124851777867
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Energy: 1.3589580740107787
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Energy: 1.4474391609447976
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Energy: 1.3874353637838943
Energy: 1.4584984598845023
Energy: 1.47616292964852
Energy: 1.2202038598177223
Energy: 1.3978540686620313
Energy: 1.3682913536048225
Energy: 1.664785383839642
Energy: 1.5321204870189988
Energy: 1.488306374910409
Energy: 1.6789821778879304
Energy: 1.4629971764476368
Energy: 1.4209844726061116
Energy: 1.4799061145355359
Energy: 1.4962430308186712
Energy: 1.3637102510459331
Energy: 1.5931506875546766
Energy: 1.5323538446220097
Energy: 1.1995488356173742
Energy: 1.3691159715922108
Energy: 1.3025574259519463
Energy: 1.7145448257877691
Energy: 1.3847446041311422
Energy: 1.460437118718878
Energy: 1.4037361344971997
Energy: 1.460257506208548
Energy: 1.458901919970901
Energy: 1.3719868643891915
Energy: 1.488983546761885
Energy: 1.5089949983527084
Energy: 1.3850498697179616
Energy: 1.6132272423778213
Energy: 1.7445289131357102
Energy: 1.3818280474388631
Energy: 1.5372784690635275
Energy: 1.491948674576537
Energy: 1.4873941288226875
Energy: 1.380340456450985
Energy: 1.3832933108276146
Energy: 1.7213202600287434
Energy: 1.3835340247511703
Energy: 1.3868703487546088
Energy: 1.8796210689169317
Energy: 1.3857095747023966
Energy: 1.527190511910509
Energy: 1.3864989802376473
Energy: 1.45339920894452
Energy: 1.452864662667174
Energy: 1.3702135566470148
Energy: 1.7619028685672304
Energy: 1.5322344871960158
Energy: 1.3684950980880675
Energy: 1.3863064208510139
Energy: 1.4630717716972264
Energy: 1.3906122185910559
Energy: 1.5450331896656286
Energy: 1.459242798677219
Energy: 1.4604507417812955
Energy: 1.5928413654865945
Energy: 1.6493650196995555
Energy: 1.555340238691431
Energy: 1.5094442350778865
Energy: 1.3707321932349208
Energy: 1.8571426136212354
Energy: 1.395122466437866
Energy: 1.4610621905560253
Energy: 1.4984240320013487
Energy: 1.3613736733454647
Energy: 1.452060335505089
Energy: 1.381921761109149
Energy: 1.5134487856372647
Energy: 1.200483688224095
Energy: 1.404391461914411
Energy: 1.7444469211054003
Energy: 1.6642011983551206
Energy: 1.3830058371416005
Energy: 1.545912903901425
Energy: 1.5076459769979054
Energy: 1.396756077617349
Energy: 1.3826648468610532
Energy: 1.5081822746211306

minimum gb energy = 1.1995488356173742 eV
minimum distance =  2.32559858422131 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.4824501034242124
Energy: 1.535358004065245
Energy: 1.5076923837672866
Energy: 1.7259429796121295
Energy: 1.766707701164752
Energy: 1.888364910102335
Energy: 1.7226826599968639
Energy: 1.699608352669277
Energy: 1.5114335711240658
Energy: 1.844042136019534
Energy: 1.7905360003041326
Energy: 1.7544215125834681
Energy: 1.7644612175164713
Energy: 1.7887706172164908
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Energy: 1.503205169138605
Energy: 1.4127507835656243
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Energy: 1.7252758997641924
Energy: 1.6140318911270448
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Energy: 1.65467564114489
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Energy: 1.7177750232288154
Energy: 1.7870909234490124
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Energy: 1.6847184476550185
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Energy: 1.9013061373031348
Energy: 1.7449183809889346
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Energy: 1.8252994628369676
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Energy: 1.7190183802440722
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Energy: 1.5133779536719068
Energy: 1.4307775236001334
Energy: 1.464316079008573
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Energy: 1.5517491401273402
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Energy: 1.661301095207057
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Energy: 1.6640284112304202
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Energy: 1.5873231824209448
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Energy: 1.571692224804405
Energy: 1.5454481888242781
Energy: 1.6126160530269922
Energy: 1.6242538585872497
Energy: 1.6533854334072215
Energy: 1.5883441208820928
Energy: 1.6021522391831975
Energy: 1.6561194619761643
Energy: 1.9196980798089918
Energy: 1.5973602570861236
Energy: 1.5818075694561602
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Energy: 1.7295882466230101
Energy: 1.5770381759399044
Energy: 1.6976837570950298
Energy: 1.4850235589345835
Energy: 1.7139781681478512
Energy: 1.8623315777342486
Energy: 1.5427336558100517
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Energy: 1.4917785628855775
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Energy: 1.6891246917804943
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Energy: 1.8152490820958793
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Energy: 1.545059995640885
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Energy: 1.5483278750588487
Energy: 1.6531001974921595
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Energy: 1.7110331565998829
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Energy: 1.4574309500065812
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Energy: 1.6360938086180012
Energy: 1.6771154941701611
Energy: 1.5719162263286433
Energy: 1.5325991400099348
Energy: 1.429313355137901
Energy: 1.51142175072837
Energy: 1.4903317570223324
Energy: 1.8078038570662103
Energy: 1.879923508616389
Energy: 1.6874369027883496
Energy: 1.7085700590440345
Energy: 1.7533671620698574
Energy: 1.4820986787179555
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Energy: 1.4701844865513214
Energy: 1.7287093116594363
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Energy: 1.7443531035498436
Energy: 1.6891193027307738
Energy: 1.522495962906308
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Energy: 1.460899511108556
Energy: 1.4621889367119156
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Energy: 1.8041323985813067
Energy: 1.6726236490540725
Energy: 1.812653015669281
Energy: 1.7512053906279759
Energy: 1.6140966267600718
Energy: 1.435297320348491
Energy: 1.6708056026549658
Energy: 1.7718742987236948
Energy: 1.8942567260857113
Energy: 1.4862909070848471
Energy: 1.562139725924653
Energy: 1.4637376735312084
Energy: 1.8953776548768266
Energy: 1.447288935259481
Energy: 1.5820785610323755
Energy: 1.667272722792892
Energy: 1.6770756240102265
Energy: 1.6153410619511002
Energy: 1.5648362885337281
Energy: 1.483457214682162
Energy: 1.6053694975388686
Energy: 1.8456454939072937
Energy: 1.759610056997996
Energy: 1.7626076388783596
Energy: 1.6463343844565876
Energy: 1.6530354840726234
Energy: 1.6829779373040976
Energy: 1.5867437880195094
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Energy: 1.521212788825634
Energy: 1.4980954000347362
Energy: 1.5835730047313614
Energy: 1.659789980886976
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Energy: 1.7020852650621054
Energy: 1.6590143761903264
Energy: 1.7474018698073983
Energy: 1.5633277874844564
Energy: 1.6841394375853593
Energy: 1.724701453144055
Energy: 1.855010055902348
Energy: 1.56544663125005
Energy: 1.55080377587847
Energy: 1.5324092916724135
Energy: 1.6740922064592876
Energy: 1.8024732587937395
Energy: 1.5476512729975322
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Energy: 1.5670271643189917
Energy: 1.6925957817505848
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Energy: 1.6462740624926586
Energy: 1.7055059028210473
Energy: 1.6133103048559825
Energy: 1.5046499736651133
Energy: 1.4937137808143024
Energy: 1.5415285705108541
Energy: 1.5879411247541264
Energy: 1.6792699412776853
Energy: 1.64895758540012
Energy: 1.6728600982923183
Energy: 1.7997041381867107
Energy: 1.7416423206458205
Energy: 1.8144127910698142
Energy: 1.5951714005042217
Energy: 1.5647693289218956
Energy: 1.693110348732011
Energy: 1.8141640208288095
Energy: 1.6851819438818747
Energy: 1.7024187474056944
Energy: 1.67114164762065
Energy: 1.475326645414978
Energy: 1.857223695686381
Energy: 1.6977925248741665
Energy: 1.649687414031718
Energy: 2.0338339170943955
Energy: 1.7640517448662445
Energy: 1.755958709902098
Energy: 1.5660734164944456
Energy: 1.4321682865354974
Energy: 1.4893482790359673
Energy: 1.8511669105565238
Energy: 1.5546444479093626
Energy: 1.654449038698902
Energy: 1.6440099197124662
Energy: 1.7474667104367243
Energy: 1.4401399890055693
Energy: 1.4925939035165543
Energy: 1.4597021109031716
Energy: 1.5159338513420013
Energy: 1.6894168624245478
Energy: 1.7348529834704634
Energy: 1.9528648144783387
Energy: 1.6553765694647344
Energy: 1.8502973313753237
Energy: 1.5005134181133837
Energy: 1.438348238419643
Energy: 1.4181937706632235
Energy: 1.5027686175090815
Energy: 1.4719187552722213
Energy: 1.7244389171338395
Energy: 1.749690916873158
Energy: 1.7927445664620136
Energy: 1.9551231868715913
Energy: 1.7536080842324715
Energy: 1.5197988662456874
Energy: 1.6556327137351818
Energy: 1.5257395137906047
Energy: 1.8899693928264498
Energy: 1.780642579617448
Energy: 1.7326501238261502
Energy: 1.572469495735659
Energy: 1.5266136489079698
Energy: 1.7596027660110607
Energy: 1.8741200411823784
Energy: 1.7773582349980528
Energy: 1.702933379062602
Energy: 1.735234285277558
Energy: 1.5040471585793986
Energy: 1.497477193237201
Energy: 1.4323115806053528
Energy: 1.5379947955150057
Energy: 1.8191381480207571
Energy: 1.7994597860674024
Energy: 1.9091819304760105
Energy: 1.6759524723064818
Energy: 1.7317742841251997
Energy: 1.694589296432236
Energy: 1.5311578959127525
Energy: 1.5118022634366408
Energy: 1.454642738495147
Energy: 1.4906462394132582
Energy: 1.5841799102994616
Energy: 1.670134895142277
Energy: 1.7823756627805085
Energy: 1.8114223683143325
Energy: 1.785286884395608
Energy: 1.4674135014190681
Energy: 1.4732732479073858
Energy: 1.5119252872455982
Energy: 1.71936106806083
Energy: 1.7609291131141007
Energy: 1.7779813052316018
Energy: 1.6072937084313361
Energy: 1.5665918914459258
Energy: 1.9172423238501166
Energy: 1.6078886440175828
Energy: 1.6726607995121936
Energy: 1.6579505734675757
Energy: 1.5747352074524277
Energy: 1.7829392817643648
Energy: 1.578325076013248
Energy: 1.719372139729438
Energy: 1.5154869669305688
Energy: 1.6526542980396488
Energy: 1.8779529072183396
Energy: 1.5838444645344183
Energy: 1.5719293544794646
Energy: 1.61140070500072
Energy: 1.653684900827807
Energy: 1.6234611417062172
Energy: 1.5435783821254734
Energy: 1.7013952019295435
Energy: 1.826814354005059
Energy: 1.68159369376851
Energy: 1.6276631496215619
Energy: 1.7388286785636626
Energy: 1.5492726562698274
Energy: 1.6580583170980236
Energy: 1.6002338907941511
Energy: 1.6499090586480654
Energy: 1.5925735880473342
Energy: 1.566006461998902
Energy: 1.6755949475313239
Energy: 1.8882214884142736
Energy: 1.6542331779596926
Energy: 1.4773324088291266
Energy: 1.853528826446533
Energy: 1.8164725001688904
Energy: 1.641989295463115
Energy: 1.7134790718977224
Energy: 1.5797548539057005
Energy: 1.5210771178086333
Energy: 1.8913319251878506
Energy: 1.6030136545591354
Energy: 1.5836242717350035
Energy: 1.8569548973611152
Energy: 1.5259541390948963
Energy: 1.455727377136627
Energy: 1.5154400333274052
Energy: 1.49685551622573
Energy: 1.5411054259874752
Energy: 1.6740748200340334
Energy: 1.6625265341341446
Energy: 1.71486604128325
Energy: 1.649057683946156
Energy: 1.7420328594639567
Energy: 1.4989428206937032
Energy: 1.4373730495462353
Energy: 1.443602800381709
Energy: 1.5338599771713255
Energy: 1.6894697330814608
Energy: 1.7194609991252312
Energy: 1.7446120806688707
Energy: 1.797261962130743
Energy: 1.8297335241244506
Energy: 1.5727788100665958
Energy: 1.6088131152449554
Energy: 1.5832153534233793
Energy: 1.4416400553526187
Energy: 1.8962356424253257
Energy: 1.703239985782294
Energy: 1.7244249903989721
Energy: 1.570990909578916
Energy: 1.633214659364689

minimum gb energy = 1.4127507835656243 eV
minimum distance =  2.27626354878457 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.83976656027709
Energy: 1.4566716602551597
Energy: 1.4406474626802028
Energy: 1.6090815217920489
Energy: 1.6850776756413903
Energy: 1.7480458592038564
Energy: 1.6312158220312962
Energy: 1.5590832604960183
Energy: 1.527204315709259
Energy: 1.4830943770157545
Energy: 1.8250241298540315
Energy: 1.4616263803098577
Energy: 1.601794626537414
Energy: 1.7794016792911211
Energy: 1.5096444799470594
Energy: 1.4852882477026779
Energy: 1.4708387670843208
Energy: 1.467704626654327
Energy: 1.4667268175325503
Energy: 1.7345464368773926
Energy: 1.6135764149038312
Energy: 1.4833951087942385
Energy: 1.7402328191970096
Energy: 1.7991929691137591
Energy: 1.5294516921166421
Energy: 1.4828959497292866
Energy: 1.4776277403327507
Energy: 1.4414554669036148
Energy: 1.6012778516221537
Energy: 1.744335958074357
Energy: 1.623507466526245
Energy: 1.6144561829684902
Energy: 1.9839976246319184
Energy: 1.721630002038227
Energy: 1.4694831471408634
Energy: 1.4777784204138902
Energy: 1.5404202514226946
Energy: 1.7271268314840027
Energy: 1.6459291984014657
Energy: 1.6993125009594325
Energy: 1.6112999640384733
Energy: 1.7420705610232932
Energy: 1.5788782679351616
Energy: 1.681107968857775
Energy: 1.6387356447968005
Energy: 1.6844666036773088
Energy: 1.6937439487200008
Energy: 1.7651917041258496
Energy: 1.7168190926849283
Energy: 1.4906517715218552
Energy: 1.6391452410103882
Energy: 1.7329589518788924
Energy: 1.4971279191095272
Energy: 1.5848140827775168
Energy: 1.6313431056838963
Energy: 1.547435866258811
Energy: 1.4461918442194766
Energy: 1.5958439203380428
Energy: 1.5903469302174102
Energy: 1.4874450720622052
Energy: 1.723905150903682
Energy: 1.6495422597589657
Energy: 1.538657626880725
Energy: 1.7173715867448072
Energy: 1.6346440221769452
Energy: 1.5750314879790583
Energy: 1.6348656132056383
Energy: 1.5872208045455334
Energy: 1.633165628342821
Energy: 1.4629809677580448
Energy: 1.471520106657196
Energy: 1.5617634376349931
Energy: 1.5399880577457659
Energy: 1.6074402991158547
Energy: 1.6936864815374073
Energy: 1.621859931620254
Energy: 1.4973519087721698
Energy: 1.5294462552501216
Energy: 1.6125608191792455
Energy: 1.6141492566363662
Energy: 1.8709610398064465
Energy: 1.459824193868977
Energy: 1.6016787886032477
Energy: 1.6924116609610849
Energy: 1.5104132907253227
Energy: 1.5045582257555192
Energy: 1.4720463648678994
Energy: 1.510469663732974
Energy: 1.6033971944786112
Energy: 1.7349963052078579
Energy: 1.6118757006352082
Energy: 1.484006427957596
Energy: 1.719483861768891
Energy: 1.755889246575322
Energy: 1.515417557568494
Energy: 1.4946640664517208
Energy: 1.4715805543928715
Energy: 1.4663575791967864
Energy: 1.5167739785582528
Energy: 1.8135734726934412
Energy: 1.5931382657625979
Energy: 1.4768567076586778
Energy: 1.7864910382959165
Energy: 1.6849945803308115
Energy: 1.637615811395777
Energy: 1.488555379407795
Energy: 1.7538460735089283
Energy: 1.7335229801220926
Energy: 1.7590133206042322
Energy: 1.5504359650020396
Energy: 1.4967981980408953
Energy: 1.7430761540424922
Energy: 1.5451638841999578
Energy: 1.6214270748872863
Energy: 1.6348577815954548
Energy: 1.5752062449552997
Energy: 1.5054328323220398
Energy: 1.6002973907584228
Energy: 1.585233930089368
Energy: 1.4633364071093773
Energy: 1.6172290682661628
Energy: 1.7433497320056672
Energy: 1.4470510305271416
Energy: 1.6788651504922423
Energy: 1.5929485831789487
Energy: 1.5402570186570201
Energy: 1.5436012053251333
Energy: 1.5718153659723366
Energy: 1.5904697952624478
Energy: 1.4628120614559053
Energy: 1.4726867314640708
Energy: 1.45552515875157
Energy: 1.515344267218628
Energy: 1.4924678112726872
Energy: 1.6845906607687335
Energy: 1.6942794794551517
Energy: 1.5829816772400578
Energy: 1.5340693286230784
Energy: 1.4961938627581486
Energy: 1.4703286159850766

minimum gb energy = 1.4406474626802028 eV
minimum distance =  2.27647601234217 Angstroms
sigma value = 33