Model name: model_name=EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8664999604225163
cohesive_energy=4.316339488656242
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.71738624797314e-25, 1.0098695563531739e-19, 2.0339311933303198e-19, 2.8320074182584e-19, 3.4680715419563997e-19, 3.9942263485619994e-19, 4.44084910705584e-19, 4.8259162392714e-19, 5.1578071290045e-19, 5.44768894739412e-19, 5.70257922809718e-19, 5.924833170765659e-19, 6.117062323312979e-19, 6.28200640778328e-19, 6.4222449285573e-19, 6.540309324716759e-19, 6.638602861212659e-19, 6.71911223707116e-19, 6.783631890122339e-19, 6.83371593170118e-19, 6.870758255479259e-19, 6.895944472165739e-19, 6.910380083638079e-19, 6.914994352343999e-19, 6.91001158301226e-19, 6.89358927251376e-19, 6.863228025299459e-19, 6.8160599451945e-19, 6.748736483033819e-19, 6.657332306064119e-19, 6.537265189112159e-19, 6.383135796921359e-19, 6.1885674664884e-19, 5.945885771736419e-19, 5.64643895884182e-19, 5.28127086042054e-19, 4.83974302362282e-19, 4.30894190477862e-19, 3.6731501511084e-19, 2.9107063345204797e-19, 1.9898873576616598e-19, 8.675834538409019e-20, -5.0077312436977196e-20, -2.18701917070902e-19, -4.3073717716772996e-19, -7.002761588354519e-19, -1.044590326188588e-18, -1.4863809199542838e-18, -2.0578516904759397e-18, -2.8102498595686797e-18, -3.86034846902496e-18, -5.41740780901152e-18, -7.87740583462146e-18, -1.2039235880866199e-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: 0.013237299209342758
Energy: 0.01358057046883671
Energy: 2.0911336352181804
Energy: 1.1597520200303724
Energy: 0.01358057046883671
Energy: 0.2272965372124562
Energy: 1.1589076311825162
Energy: 0.22729653721345375
Energy: 2.091133634977358
Energy: 1.1589076311844557
Energy: 1.4224437881917096
Energy: 1.1589076311844557
Energy: 1.1597520200294025
Energy: 0.22729653721345375
Energy: 1.1589076311825162
Energy: 0.22729653721345375

minimum gb energy = 0.013237299209342758 eV
minimum distance =  2.4404522838171 Angstroms
sigma value = 1


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

Energy: 2.2580214810842416
Energy: 1.1255566301530564
Energy: 0.9898129720058945
Energy: 0.9886915071187977
Energy: 2.044267909995342
Energy: 1.0266251014823546
Energy: 0.9886641348082661
Energy: 1.0266251014835646
Energy: 2.0621905673116774
Energy: 0.988577204220492
Energy: 0.9893382585309198
Energy: 0.9885772042192823
Energy: 2.0679087953359376
Energy: 1.0230242811187211
Energy: 0.9883090077759988
Energy: 1.0230242811211407
Energy: 2.0859426996776116
Energy: 0.9890549058495444
Energy: 1.2979627078538558
Energy: 0.989054905851964
Energy: 2.0676472006014084
Energy: 0.9877881002272964
Energy: 1.3424116805437425
Energy: 0.9877881002297159
Energy: 1.7532627031849755
Energy: 0.9878339338427385
Energy: 1.4037037599014592
Energy: 0.9878339338415288
Energy: 1.7706727151345807
Energy: 0.9878006268214882
Energy: 1.3528263720385258
Energy: 0.987800626822698
Energy: 1.7440575750576173
Energy: 0.9875482729298907
Energy: 1.3616193582080935
Energy: 0.9875482729323104
Energy: 1.768671999323244
Energy: 1.0601532021219686
Energy: 1.7673353562144136
Energy: 1.0601532021207587
Energy: 1.7059924762347756
Energy: 0.9875755875972425
Energy: 1.6550335781956829
Energy: 0.9875755876032916
Energy: 1.353135373723059
Energy: 0.9879968307567895
Energy: 1.757439866186972
Energy: 0.9879968307567895
Energy: 1.4240196135659373
Energy: 0.9883721890401798
Energy: 1.7579148172857653
Energy: 0.9883721890413896
Energy: 1.3338338010751667
Energy: 1.0226186640878534
Energy: 2.056693668934219
Energy: 1.0226186640866437
Energy: 1.3532019507899447
Energy: 0.9886467032355307
Energy: 1.8457285494735725
Energy: 0.9886467032343208
Energy: 0.9884884053407569
Energy: 0.988698191246063
Energy: 2.0786352872278906
Energy: 0.9886981912496924
Energy: 0.9884717771116266
Energy: 0.9884333525862519
Energy: 2.054343130509292
Energy: 0.9884333525838322
Energy: 1.0384094830188977
Energy: 1.0699484011274185
Energy: 2.0560074130571837
Energy: 1.0699484011262086
Energy: 0.9887886281003081
Energy: 0.9882922303685646
Energy: 1.9505312455047565
Energy: 0.9882922303709843
Energy: 1.1373855972243527
Energy: 1.0359703556822444
Energy: 2.0647067473205327
Energy: 1.0359703556834543
Energy: 1.118353321794845
Energy: 0.9883755507126645
Energy: 2.0554104610880137
Energy: 0.9883755507126645
Energy: 1.1192475421889545
Energy: 0.9878875865077588
Energy: 1.9690968569550527
Energy: 0.9878875865077588
Energy: 1.1253387766712508
Energy: 0.9882959660406273
Energy: 2.0890773585819185
Energy: 0.9882959660394175
Energy: 1.5762996261850908
Energy: 0.9882653052531555
Energy: 1.9734751110585123
Energy: 0.9882653052531555
Energy: 1.556545138855551
Energy: 0.9890039165027695
Energy: 1.9624659061409675
Energy: 0.9890039164991402
Energy: 1.5658409138156657
Energy: 1.0610990811512053
Energy: 1.5640794250731704
Energy: 1.061099081152415
Energy: 1.5650077804369946
Energy: 1.0597446683669747
Energy: 1.746625218892386
Energy: 1.059744668365765
Energy: 1.962427194152025
Energy: 0.9884342930953409
Energy: 1.5738919208245805
Energy: 0.9884342930953409
Energy: 1.8496898655209468
Energy: 0.9882108924538598
Energy: 1.575191152310847
Energy: 0.9882108924538598
Energy: 1.8582987493938723
Energy: 0.9879274488250482
Energy: 1.1188637739604796
Energy: 0.9879274488226287
Energy: 1.9682945839236765
Energy: 1.1354274858380464
Energy: 1.128201026944979
Energy: 1.1354274858392561
Energy: 2.056174176410588
Energy: 0.988421139655498
Energy: 1.1623847640345817
Energy: 0.9884211396530787
Energy: 2.071021560896861
Energy: 0.9885464007291267
Energy: 1.1117616157552666
Energy: 0.988546400727917

minimum gb energy = 0.9875482729298907 eV
minimum distance =  2.38949091628318 Angstroms
sigma value = 1


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

Energy: 2.5085334753186013
Energy: 1.2250836861183434
Energy: 1.0315699813767905
Energy: 1.0308677540304825
Energy: 1.9774001771890848
Energy: 1.0311532275226074
Energy: 1.0303310769598193
Energy: 1.031153227525366
Energy: 1.9921411149925383
Energy: 1.0307927589971577
Energy: 1.0291454553681967
Energy: 1.0307927589957786
Energy: 1.9915377531398364
Energy: 1.0311830071869976
Energy: 1.030493498109865
Energy: 1.0311830071856494
Energy: 2.1059667393106074
Energy: 1.030804793301719
Energy: 1.0736717542466918
Energy: 1.030804793301719
Energy: 1.9920050308167858
Energy: 1.0309486652913642
Energy: 1.3232390649607921
Energy: 1.0309486652913642
Energy: 1.993217116611688
Energy: 1.0302527000085597
Energy: 1.302282675646051
Energy: 1.0302527000085597
Energy: 1.8037585861245957
Energy: 1.0328600034246764
Energy: 1.3414617929405812
Energy: 1.0328600034260562
Energy: 1.768265987262881
Energy: 1.030517702796881
Energy: 1.3394390127146245
Energy: 1.0305177027982604
Energy: 1.8035913319860313
Energy: 1.1196065523514958
Energy: 1.7690325815667274
Energy: 1.1196065523514958
Energy: 1.6467257015293488
Energy: 1.0308941440185906
Energy: 1.721313138037722
Energy: 1.0308941440185906
Energy: 1.303409085239434
Energy: 1.03178156405682
Energy: 1.5433091191230868
Energy: 1.03178156405682
Energy: 1.3701085646741413
Energy: 1.0309220703281248
Energy: 1.7672125891119221
Energy: 1.0309220703281248
Energy: 1.2869005997727687
Energy: 1.0306478898300184
Energy: 1.9930783172121587
Energy: 1.0306478898313975
Energy: 1.285776616274709
Energy: 1.0306219718382907
Energy: 1.9762664908539218
Energy: 1.0306219718382907
Energy: 1.0301271889604426
Energy: 1.0306114983862522
Energy: 1.977958849417915
Energy: 1.0306114983876313
Energy: 1.0293936650234652
Energy: 1.0309388353576638
Energy: 1.9926291346853036
Energy: 1.0309388353576638
Energy: 1.122493451530295
Energy: 1.0317034947578292
Energy: 1.9914853480503094
Energy: 1.0317034947592085
Energy: 1.0303008474283546
Energy: 1.0307687195642086
Energy: 2.106738662210839
Energy: 1.0307687195642086
Energy: 1.3228990055797007
Energy: 1.0305513341240553
Energy: 1.9913665584780162
Energy: 1.0305513341240553
Energy: 1.3013206168905038
Energy: 1.0300761544584378
Energy: 1.9927328859399147
Energy: 1.0300761544584378
Energy: 1.3016398563910077
Energy: 1.0330916622798267
Energy: 1.8034832409392585
Energy: 1.0330916622798267
Energy: 1.3394260441018344
Energy: 1.0308677090163438
Energy: 1.7674399713088926
Energy: 1.0308677090163438
Energy: 1.768924324011213
Energy: 1.1201662847897276
Energy: 1.8038114550343594
Energy: 1.1201662847897276
Energy: 1.541892454615117
Energy: 1.1191036242007089
Energy: 1.803061886179756
Energy: 1.1191036242007089
Energy: 1.5407133569654636
Energy: 1.0311729484447558
Energy: 1.3836088270277378
Energy: 1.0311729484447558
Energy: 1.7676138040728608
Energy: 1.032174928024396
Energy: 1.3698355438238734
Energy: 1.0321749280230166
Energy: 1.9928487046903023
Energy: 1.030152021035559
Energy: 1.3833311570537021
Energy: 1.030152021035559
Energy: 1.9774582101608293
Energy: 1.030971739188234
Energy: 1.2862242719661012
Energy: 1.0309717391868545

minimum gb energy = 1.0291454553681967 eV
minimum distance =  2.40065358252755 Angstroms
sigma value = 25


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

Energy: 2.3782973593763077
Energy: 1.2336426572702712
Energy: 1.1038065008675282
Energy: 1.1033038102736867
Energy: 1.874135887379019
Energy: 1.1472244571580041
Energy: 1.1466245407951474
Energy: 1.1472244571612111
Energy: 1.9041179283341583
Energy: 1.1035795564031807
Energy: 1.1041197165471588
Energy: 1.103579556404784
Energy: 1.9176202362597108
Energy: 1.138520067971657
Energy: 1.138749185971236
Energy: 1.138520067971657
Energy: 2.1491764723439957
Energy: 1.1041178345193545
Energy: 1.6165204451407258
Energy: 1.1041178345225613
Energy: 1.917601346303323
Energy: 1.1383102891808103
Energy: 1.5286633236129292
Energy: 1.1383102891808103
Energy: 1.9006931749522082
Energy: 1.2033674725103305
Energy: 1.5641708669233303
Energy: 1.203367472511934
Energy: 1.56167063793646
Energy: 1.2038244532670683
Energy: 1.568761280951543
Energy: 1.203824453268672
Energy: 1.7120378082838048
Energy: 1.2034924917410652
Energy: 1.5697206079779735
Energy: 1.2034924917394616
Energy: 1.6035700947976383
Energy: 1.103220121750638
Energy: 1.9171188700414792
Energy: 1.103220121753845
Energy: 1.4897827724664998
Energy: 1.103942579312588
Energy: 1.9438292004144284
Energy: 1.103942579312588
Energy: 1.1029809149329646
Energy: 1.1032270025881286
Energy: 1.9460221979393133
Energy: 1.1032270025913355
Energy: 1.1033837987292994
Energy: 1.1036718360462139
Energy: 1.9010795182014584
Energy: 1.1036718360446105
Energy: 1.146104249179642
Energy: 1.14758225375939
Energy: 1.9006389665866656
Energy: 1.14758225375939
Energy: 1.1063866991614681
Energy: 1.1039078399593503
Energy: 2.145297391977639
Energy: 1.1039078399561433
Energy: 1.3173246475374605
Energy: 1.1630497057248441
Energy: 1.8953952914336898
Energy: 1.163049705731258
Energy: 1.2779292043147201
Energy: 1.1032132497445062
Energy: 1.9015821440377745
Energy: 1.1032132497605411
Energy: 1.2788701695921467
Energy: 1.1053046095986998
Energy: 1.817203046064437
Energy: 1.1053046096003032
Energy: 1.2825612594083744
Energy: 1.1054559273802946
Energy: 1.7035782019338284
Energy: 1.1054559273818982
Energy: 1.8170051295497418
Energy: 1.2066189703917942
Energy: 1.8193659723982516
Energy: 1.2066189703917942
Energy: 1.675568545272498
Energy: 1.1034073601159005
Energy: 1.807582274006044
Energy: 1.1034073601351426
Energy: 1.675901557540991
Energy: 1.1051286616741665
Energy: 1.2783286339980406
Energy: 1.1051286616741665
Energy: 1.8175231533074538
Energy: 1.1065878458329776
Energy: 1.2988512644502543
Energy: 1.1065878458313738
Energy: 1.9004669340083824
Energy: 1.1034739300538061
Energy: 1.2797255395731906
Energy: 1.103473930057013
Energy: 1.912848747062805
Energy: 1.1034693114018674
Energy: 1.2360298393382712
Energy: 1.103469311397057

minimum gb energy = 1.1029809149329646 eV
minimum distance =  2.37106993842174 Angstroms
sigma value = 9


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

Energy: 2.1354871842057075
Energy: 1.3473089538234426
Energy: 1.1522974759094966
Energy: 1.152871579773309
Energy: 1.7674867687374327
Energy: 1.2602219618849442
Energy: 1.153207321535286
Energy: 1.2602219618817054
Energy: 1.8082543322133442
Energy: 1.1529115445132831
Energy: 1.148582542408828
Energy: 1.1529115445121312
Energy: 1.807874688098103
Energy: 1.2610876358378411
Energy: 1.153046072416835
Energy: 1.2610876358386016
Energy: 1.628362986250611
Energy: 1.1538711885538409
Energy: 1.1547651567152688
Energy: 1.1538711885479067
Energy: 1.807431702834227
Energy: 1.28701272264323
Energy: 1.5909444804539519
Energy: 1.2870127226485772
Energy: 1.8087090778728276
Energy: 1.2910163978303528
Energy: 1.1313368734145133
Energy: 1.2910163978301572
Energy: 1.584146090752772
Energy: 1.2867014792900757
Energy: 1.5012657974590367
Energy: 1.2867014792885543
Energy: 1.6470865249459208
Energy: 1.2914488751005353
Energy: 1.5022934043050822
Energy: 1.2914488751003395
Energy: 1.5914153513860767
Energy: 1.287504120944627
Energy: 1.8070945110147079
Energy: 1.287504120948257
Energy: 1.2580883179172586
Energy: 1.1532303246081488
Energy: 1.7677702386276428
Energy: 1.1532303246058662
Energy: 1.1485202713205687
Energy: 1.1527336762074476
Energy: 1.7673943881242096
Energy: 1.152733676214534
Energy: 1.1500168709510972
Energy: 1.1529508044471428
Energy: 1.8080058378393873
Energy: 1.1529508044440782
Energy: 1.2604647563366682
Energy: 1.1535540252665788
Energy: 1.8074813143666053
Energy: 1.1535540252692527
Energy: 1.15326717831504
Energy: 1.1534637443915923
Energy: 1.6290365294960583
Energy: 1.15346374439294
Energy: 1.4643738994413396
Energy: 1.236136669411032
Energy: 1.8079618064323095
Energy: 1.2361366694106624
Energy: 1.1315647252418273
Energy: 1.2915650411242667
Energy: 1.8088735873297752
Energy: 1.2915650411246582
Energy: 1.1315241961319504
Energy: 1.287640979519298
Energy: 1.584855411829743
Energy: 1.2876409795181458
Energy: 1.4994713908509911
Energy: 1.2911606094367618
Energy: 1.6431291398210048
Energy: 1.2911606094367618
Energy: 1.8061340003611137
Energy: 1.2917152566191614
Energy: 1.5852471383283302
Energy: 1.2917152566189876
Energy: 1.7704623071682493
Energy: 1.1529481894411897
Energy: 1.4644429337748466
Energy: 1.1529481894421463

minimum gb energy = 1.1313368734145133 eV
minimum distance =  2.39590749052029 Angstroms
sigma value = 25


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

Energy: 1.869492316671153
Energy: 1.3252840086500117
Energy: 1.2686830819575068
Energy: 1.2693911662521016
Energy: 1.5679653100917654
Energy: 1.303192417697971
Energy: 1.4359164242931766
Energy: 1.3031924176977292
Energy: 1.660710263895348
Energy: 1.2694237119899419
Energy: 1.2693324524124447
Energy: 1.2694237119998613
Energy: 1.6669758432839783
Energy: 1.286539048712464
Energy: 1.2862754066963933
Energy: 1.286539048712706
Energy: 1.5639846648173543
Energy: 1.3474471237305763
Energy: 1.457776936169513
Energy: 1.3474471237298773
Energy: 1.6618523657079223
Energy: 1.3796082876738005
Energy: 1.6651269538046054
Energy: 1.3796082876735587
Energy: 1.5874895946303715
Energy: 1.3475269153879137
Energy: 1.7375764502407807
Energy: 1.3475269153869731
Energy: 1.2872166029501724
Energy: 1.2865804823354325
Energy: 1.7368273096541853
Energy: 1.2865804823349487
Energy: 1.2872344428727278
Energy: 1.2690921488418874
Energy: 1.675382720619297
Energy: 1.2690921488423712
Energy: 1.3042129216208964
Energy: 1.3024431676587644
Energy: 1.674001686539822
Energy: 1.3024431676583075
Energy: 1.2851142400372422
Energy: 1.270095810735189
Energy: 1.66288601955467
Energy: 1.270095810735189
Energy: 1.6571238519229436
Energy: 1.4359914189390424
Energy: 1.663739869159531
Energy: 1.4359914189397414
Energy: 1.5175407835288677
Energy: 1.2695689101927314
Energy: 1.6744025097983586
Energy: 1.2695689101929732
Energy: 1.5171407083686808
Energy: 1.270911246900387
Energy: 1.5211838113259968
Energy: 1.270911246899446
Energy: 1.5985417181419204
Energy: 1.270150941911333
Energy: 1.5690202163714135
Energy: 1.270150941911333
Energy: 1.673650097392587
Energy: 1.2697068716231645
Energy: 1.521450251361099
Energy: 1.2697068716226807
Energy: 1.5678247895969986
Energy: 1.2703882415332748
Energy: 1.4324516972215622
Energy: 1.2703882415335166

minimum gb energy = 1.2686830819575068 eV
minimum distance =  2.37378423411506 Angstroms
sigma value = 17


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

Energy: 2.579708224107117
Energy: 1.3174339301562712
Energy: 1.3100780446959073
Energy: 1.3080241111884237
Energy: 1.561334173666689
Energy: 1.3094677955570544
Energy: 1.5546170562003672
Energy: 1.3094677955570544
Energy: 1.632189177521487
Energy: 1.3110443620920968
Energy: 1.3111830989250954
Energy: 1.311044362090757
Energy: 1.5841391927952024
Energy: 1.3096450093920957
Energy: 1.3098326753981202
Energy: 1.3096450093920957
Energy: 1.5698949801001534
Energy: 1.3778012370678407
Energy: 1.698154776464686
Energy: 1.3778012370678407
Energy: 1.623058846108298
Energy: 1.3018954885904803
Energy: 1.578902956816063
Energy: 1.3018954885891405
Energy: 1.47051915499358
Energy: 1.3001230395726315
Energy: 1.5562380255187973
Energy: 1.3001230395726315
Energy: 1.4148258586151738
Energy: 1.4154911640541195
Energy: 1.6026079904829256
Energy: 1.4154911640541195
Energy: 1.3264917442495776
Energy: 1.3015062310014742
Energy: 1.5896391731364665
Energy: 1.301506231002814
Energy: 1.3310226046610214
Energy: 1.3032760651184974
Energy: 1.5885318145077247
Energy: 1.303276065119837
Energy: 1.3476940921672984
Energy: 1.3027776477262187
Energy: 1.5665779857773476
Energy: 1.3027776477262187
Energy: 1.5916109057179715
Energy: 1.3323908980139103
Energy: 1.5881569682932428
Energy: 1.3323908980139103
Energy: 1.5615874487002266
Energy: 1.3326152433982417
Energy: 1.5959516052802112
Energy: 1.3326152433995815
Energy: 1.5613940236238044
Energy: 1.3002372569722458
Energy: 1.3456729194814503
Energy: 1.300237256970906
Energy: 1.58236279617378
Energy: 1.3027297134540137
Energy: 1.330442304316761
Energy: 1.3027297134540137
Energy: 1.5783040528386412
Energy: 1.302133149881329
Energy: 1.3479808888437246
Energy: 1.3021331498840087
Energy: 1.5854760245586639
Energy: 1.3236607423142082
Energy: 1.3468897344524686
Energy: 1.323660742334274
Energy: 1.5854102976295708
Energy: 1.3242410027186964
Energy: 1.53866201561279
Energy: 1.3242410027160165
Energy: 1.579358477290739
Energy: 1.3941399296670125
Energy: 1.5873172857702607
Energy: 1.3941399296683523
Energy: 1.3429543168940519
Energy: 1.448388000685808
Energy: 1.6572883529088238
Energy: 1.448388000687148
Energy: 1.3081563090718467
Energy: 1.309509662895701
Energy: 1.5873238105070915
Energy: 1.3095096628943612
Energy: 1.3416000755958533
Energy: 1.3107790402610195
Energy: 1.5878178535642242
Energy: 1.31077904025968
Energy: 1.4458985079429587
Energy: 1.4449452131965523
Energy: 1.5853783927097456
Energy: 1.4449452131965523
Energy: 1.3874748599091933
Energy: 1.3087846472900924
Energy: 1.5829192174739783
Energy: 1.3087846472900924
Energy: 1.5069269023324126
Energy: 1.309913961417892
Energy: 1.5879490384919683
Energy: 1.309913961417892
Energy: 1.4425426459911705
Energy: 1.3088316286033015
Energy: 1.5892928301087628
Energy: 1.3088316286046413
Energy: 1.5051588240031122
Energy: 1.4049047994986992
Energy: 1.4825582975651448
Energy: 1.4049047994973596
Energy: 1.6233694532754077
Energy: 1.3088420898324828
Energy: 1.4421330333737983
Energy: 1.3088420898324828
Energy: 1.5878528113227632
Energy: 1.3100466637831314
Energy: 1.5586342816389176
Energy: 1.3100466637817916
Energy: 1.6009668055688921
Energy: 1.309547218444384
Energy: 1.475653769030677
Energy: 1.3095472184417043

minimum gb energy = 1.3001230395726315 eV
minimum distance =  2.35930685411425 Angstroms
sigma value = 53


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

Energy: 1.2055433362771963
Energy: 1.2120097848223028
Energy: 1.828514864924217
Energy: 1.883275743163096
Energy: 1.2107988043834963
Energy: 1.2944234886386767
Energy: 1.4000195531921764
Energy: 1.2944234886433033
Energy: 1.2472330240186644
Energy: 1.2546298171109902
Energy: 1.4030917522597661
Energy: 1.2546298171112706
Energy: 1.2455967560294234
Energy: 1.4060954222969921
Energy: 1.4044395297895804
Energy: 1.4060954222960809
Energy: 1.4326187946435671
Energy: 1.3050026291447099
Energy: 1.4017724107050233
Energy: 1.3050026291416255
Energy: 1.4911599690172848
Energy: 1.2550762709378926
Energy: 1.4025608434456567
Energy: 1.2550762709375771
Energy: 1.2460914444460158
Energy: 1.2539514441072133
Energy: 1.2103966623822329
Energy: 1.2539514441072133
Energy: 1.4044347390105314
Energy: 1.294981917759415
Energy: 1.210692560308401
Energy: 1.2949819177649529
Energy: 1.4069167355314025
Energy: 1.2562811087057268
Energy: 1.2561478778124042
Energy: 1.2562811087057268
Energy: 1.3972345234285983
Energy: 1.2569883527507069
Energy: 1.4908795243473478
Energy: 1.2569883527507069
Energy: 1.4017986193498362
Energy: 1.3014340121491952
Energy: 1.433064805737544
Energy: 1.3014340121467063
Energy: 1.4077855861787065
Energy: 1.39805784174833
Energy: 1.2454351284917884
Energy: 1.3980578417473837
Energy: 1.2107259758268194
Energy: 1.2552498268364998
Energy: 1.2457089433119106
Energy: 1.2552498268352732

minimum gb energy = 1.2055433362771963 eV
minimum distance =  2.3978490189952 Angstroms
sigma value = 9


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

Energy: 2.0265660493109596
Energy: 1.5143791501461605
Energy: 1.6677438873673953
Energy: 1.6446512230269008
Energy: 1.6563734631733464
Energy: 1.49590569932858
Energy: 1.6806278285524974
Energy: 1.4959056993251552
Energy: 1.5078989404495677
Energy: 1.4502725610509402
Energy: 1.4388574979990933
Energy: 1.4502725610475153
Energy: 1.4384433235735818
Energy: 1.4515590446178488
Energy: 1.4372420154359935
Energy: 1.4515590446155655
Energy: 1.4341415822193084
Energy: 1.4498512885399344
Energy: 1.505106792668165
Energy: 1.4498512885399344
Energy: 1.6561329300533423
Energy: 1.5140352544732194
Energy: 1.5223832405640587
Energy: 1.5140352544732194
Energy: 1.6815709177528368
Energy: 1.657197394569905
Energy: 1.7472729990645002
Energy: 1.6571973945710465
Energy: 1.8092137700220439
Energy: 1.660881785287653
Energy: 1.771903292208518
Energy: 1.6608817852899362
Energy: 1.698705261402418
Energy: 1.4999273972887255
Energy: 1.5479074606351246
Energy: 1.499927397289867
Energy: 1.507090793159685
Energy: 1.5799031224311482
Energy: 1.3728962286910533
Energy: 1.5799031224322895
Energy: 1.674768913154523
Energy: 1.3721236032694941
Energy: 1.3695813122573817
Energy: 1.3721236032694941
Energy: 1.6657016878708493
Energy: 1.4247245067289798
Energy: 1.531104230545172
Energy: 1.4247245067301215
Energy: 1.7489364934668494
Energy: 1.5585863881108986
Energy: 1.5584502690789068
Energy: 1.5585863881086157
Energy: 1.7483380295397386
Energy: 1.5271942006010846
Energy: 1.8144069539798766
Energy: 1.5271942006033679
Energy: 1.7045281828544647
Energy: 1.4271179432434542
Energy: 1.8204639606258897
Energy: 1.4271179432468788
Energy: 1.5054274402122643
Energy: 1.4308381264426784
Energy: 1.7733041835591905
Energy: 1.4308381264426784
Energy: 1.4018291306301944
Energy: 1.4022411508614163
Energy: 1.7697906416566236
Energy: 1.4022411508636996
Energy: 1.4788974800345118
Energy: 1.4282201207197456
Energy: 1.7900411637871336
Energy: 1.4282201207174625
Energy: 1.4608911209277888
Energy: 1.4480038818932004
Energy: 1.766423450527928
Energy: 1.4480038818932004
Energy: 1.4628296323064176
Energy: 1.4682227932446936
Energy: 1.8598635990084758
Energy: 1.4682227932446936
Energy: 1.7548110303074493
Energy: 1.453011670348744
Energy: 1.7388855278376887
Energy: 1.4530116703498852
Energy: 1.7522271707552752
Energy: 1.4632191136393935
Energy: 1.7377957531075838
Energy: 1.4632191136416766
Energy: 1.7529083238016487
Energy: 1.4636256151867224
Energy: 1.4624816015228501
Energy: 1.4636256151878637
Energy: 1.752929257757162
Energy: 1.4525062666744413
Energy: 1.4632711734702302
Energy: 1.4525062666778659
Energy: 1.8262467807560725
Energy: 1.408236845160708
Energy: 1.400647091283372
Energy: 1.4082368451618494
Energy: 1.639139753800501
Energy: 1.4101742155713821
Energy: 1.4033023660871753
Energy: 1.4101742155690988
Energy: 1.7912323856903005
Energy: 1.4023149398210477
Energy: 1.6862392079399593
Energy: 1.4023149398199062
Energy: 1.8141020791566842
Energy: 1.5329511959808313
Energy: 1.7447448230319222
Energy: 1.5329511959819728
Energy: 1.5581778479663904
Energy: 1.487621820189266
Energy: 1.7458887365839948
Energy: 1.487621820189266
Energy: 1.5570767794871947
Energy: 1.5507357198309368
Energy: 1.7052081413192555
Energy: 1.5507357198332201
Energy: 1.372399656185582
Energy: 1.406591548277471
Energy: 1.7308330540300139
Energy: 1.406591548277471
Energy: 1.3729108438790654
Energy: 1.37367894360834
Energy: 1.6711004114793875
Energy: 1.3736789436094816
Energy: 1.3719511080504
Energy: 1.5002176023540437
Energy: 1.6403945114765603
Energy: 1.5002176023540437
Energy: 1.5226749584318542
Energy: 1.5148020045447277
Energy: 1.8248556508222176
Energy: 1.514802004547011
Energy: 1.973641325115148
Energy: 1.6274440330146316
Energy: 1.7014373204157598
Energy: 1.6274440330123483

minimum gb energy = 1.3695813122573817 eV
minimum distance =  2.30779694430285 Angstroms
sigma value = 73


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

Energy: 2.039935633906198
Energy: 1.6216761729967306
Energy: 1.7040324685867014
Energy: 1.706099650233879
Energy: 1.7755824997041851
Energy: 1.5428723128376043
Energy: 1.651913507438228
Energy: 1.5428723128376043
Energy: 1.4795808010970815
Energy: 1.4887347761003533
Energy: 1.4794551396951887
Energy: 1.488734776096916
Energy: 1.479528693746923
Energy: 1.489651835840104
Energy: 1.4737977641806763
Energy: 1.4896518358390132
Energy: 1.4695278065408175
Energy: 1.488809450928985
Energy: 1.5301032078329782
Energy: 1.4888094509280794
Energy: 1.6502758522337992
Energy: 1.5429986326377103
Energy: 1.6061447747079147
Energy: 1.542998632628119
Energy: 1.657613822258493
Energy: 1.655157704479715
Energy: 1.8883926009542664
Energy: 1.6551577044802501
Energy: 1.852796064683383
Energy: 1.6561520538099805
Energy: 1.8841586967368018
Energy: 1.6561520538101657
Energy: 1.822670432233129
Energy: 1.385818816191423
Energy: 1.6053847577909184
Energy: 1.3858188161905176
Energy: 1.581977485409305
Energy: 1.5388226712524082
Energy: 1.3879747643672138
Energy: 1.5388226712505968
Energy: 1.8193521573580542
Energy: 1.3863063047537731
Energy: 1.3790414624564045
Energy: 1.3863063047544935
Energy: 1.719236838252923
Energy: 1.479155277241624
Energy: 1.4798140301749907
Energy: 1.4791552772419947
Energy: 1.7741752336569911
Energy: 1.4796549297530186
Energy: 1.4795052385460499
Energy: 1.4796549297524628
Energy: 1.7754477105611617
Energy: 1.4801525549986907
Energy: 1.7837487428198286
Energy: 1.4801525549988759
Energy: 1.8534684441894569
Energy: 1.539598939214174
Energy: 1.855948806887857
Energy: 1.5395989392154297
Energy: 1.5991780087170775
Energy: 1.4802246876117306
Energy: 1.9697557674880781
Energy: 1.4802246876117306
Energy: 1.4796987389056404
Energy: 1.4791028322942963
Energy: 1.9683843292597902
Energy: 1.4791028322939463
Energy: 1.4660601459314189
Energy: 1.500753558174226
Energy: 1.7613018800463318
Energy: 1.5007535581735056
Energy: 1.3835427526674242
Energy: 1.3855894511771703
Energy: 1.8277109250131098
Energy: 1.3855894511766351
Energy: 1.3865297501679263
Energy: 1.5427154429159207
Energy: 1.7907957745011536
Energy: 1.5427154429168264
Energy: 1.6070740584505818
Energy: 1.38531601704413
Energy: 1.8522969969319094
Energy: 1.385316017043595
Energy: 1.9559243958409431
Energy: 1.5503259070622908
Energy: 1.8931373268550389
Energy: 1.550325907061941

minimum gb energy = 1.3790414624564045 eV
minimum distance =  2.34324266303646 Angstroms
sigma value = 7


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

Energy: 2.755631930534191
Energy: 1.6660551899307459
Energy: 1.7281969217104116
Energy: 1.7634945449414756
Energy: 1.7589922803964944
Energy: 1.5135363359336789
Energy: 1.6854320188759453
Energy: 1.5135363359349596
Energy: 1.5306243010269325
Energy: 1.4481017535462373
Energy: 1.5283939010330325
Energy: 1.4481017535449565
Energy: 1.5298117354406287
Energy: 1.4492120036026663
Energy: 1.5234746579893303
Energy: 1.4492120036039473
Energy: 1.5257159293106053
Energy: 1.5281312378339629
Energy: 1.5306077233459334
Energy: 1.5281312378352438
Energy: 1.645461021896837
Energy: 1.4628700645712804
Energy: 1.6322819216214746
Energy: 1.4628700645738422
Energy: 1.6462247601465683
Energy: 1.6492220953981298
Energy: 1.9340526814933086
Energy: 1.6492220953942875
Energy: 1.7329082208028197
Energy: 1.6471507708785034
Energy: 2.0261610704101143
Energy: 1.647150770879784
Energy: 1.67643642340318
Energy: 1.45714606348538
Energy: 1.6320778002565635
Energy: 1.45714606348538
Energy: 1.8065529672973555
Energy: 1.6281980859582468
Energy: 1.460454811958811
Energy: 1.6281980859544043
Energy: 1.6763563480715595
Energy: 1.4561207893011257
Energy: 1.4554755518452522
Energy: 1.4561207892998447
Energy: 1.7305303856168386
Energy: 1.462979696387298
Energy: 1.5236404635502847
Energy: 1.462979696387298
Energy: 1.9258784252268508
Energy: 1.54056520342711
Energy: 1.5234455415002222
Energy: 1.5405652034283908
Energy: 1.9804212811839215
Energy: 1.5423774458349049
Energy: 1.8178203557104442
Energy: 1.5423774458349049
Energy: 1.8150509171561984
Energy: 1.483503087897766
Energy: 1.9791600974938721
Energy: 1.483503087897766
Energy: 1.6228637435954756
Energy: 1.4860387615020867
Energy: 2.134276633602078
Energy: 1.4860387615046189
Energy: 1.615309546710984
Energy: 1.483212488504611
Energy: 2.0339821977477555
Energy: 1.4832124885058917
Energy: 1.614905899817335
Energy: 1.5192681024298886
Energy: 1.697275675299232
Energy: 1.5192681024298886
Energy: 1.5906496163341726
Energy: 1.5348886737400107
Energy: 1.6067293060063648
Energy: 1.5348886737412917
Energy: 1.5912384159038016
Energy: 1.6100433163089305
Energy: 1.606810625245339
Energy: 1.6100433163089305
Energy: 1.5828555082353128
Energy: 1.3925749525192728
Energy: 1.6626321398538386
Energy: 1.3925749525192728
Energy: 2.0257461166782065
Energy: 1.6658526709975248
Energy: 1.6628035239984569
Energy: 1.6658526709975248
Energy: 2.0254090539040974
Energy: 1.6653445633832762
Energy: 1.825381632190252
Energy: 1.6653445633832762
Energy: 1.556679669394245
Energy: 1.3926499667927048
Energy: 1.81390627187955
Energy: 1.3926499667939858
Energy: 1.5364915399677435
Energy: 1.5988663736466096
Energy: 1.8069804407617416
Energy: 1.5988663736453286
Energy: 1.437653178470473
Energy: 1.437262145630071
Energy: 1.7876691819778479
Energy: 1.4372621456287902
Energy: 1.3938724682669914
Energy: 1.3963073708362252
Energy: 1.7369989615771484
Energy: 1.396307370833664
Energy: 1.4427376984404605
Energy: 1.4436295451857772
Energy: 1.8789784372729885
Energy: 1.4436295451870578
Energy: 1.4451247408052696
Energy: 1.6035906275228322
Energy: 1.928162297522097
Energy: 1.603590627524113
Energy: 1.6495039046545417
Energy: 1.444081361637762
Energy: 1.8980008308996077
Energy: 1.4440813616352004
Energy: 1.8848813719875426
Energy: 1.6896631322872173
Energy: 1.9407127335356769
Energy: 1.6896631322872173

minimum gb energy = 1.3925749525192728 eV
minimum distance =  2.32251478703876 Angstroms
sigma value = 29


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

Energy: 1.8773947198029577
Energy: 1.545581270818277
Energy: 1.595855180771509
Energy: 1.5881377790650981
Energy: 1.683612687749655
Energy: 1.3344946670104445
Energy: 1.5872894895929401
Energy: 1.3344946670104445
Energy: 1.5685106606846027
Energy: 1.3334989338546313
Energy: 1.4819788855069653
Energy: 1.3334989338541852
Energy: 1.4822273059556679
Energy: 1.3315978672337712
Energy: 1.2239279699236458
Energy: 1.3315978672385544
Energy: 1.4788193601409256
Energy: 1.331766643465711
Energy: 1.4873330123628516
Energy: 1.3317666434626625
Energy: 1.4730695849734496
Energy: 1.3312664823436393
Energy: 1.5474428227843877
Energy: 1.3312664823449527
Energy: 1.5924445432717673
Energy: 1.591451667376829
Energy: 1.4609885905784727
Energy: 1.591451667375937
Energy: 1.6264628859308559
Energy: 1.3355477738132204
Energy: 1.545533880740863
Energy: 1.3355477738136663
Energy: 1.6852063045452443
Energy: 1.3354379718959486
Energy: 1.6261403079687513
Energy: 1.3354379718955272

minimum gb energy = 1.2239279699236458 eV
minimum distance =  2.40071180432001 Angstroms
sigma value = 5


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

Energy: 1.8540679215271767
Energy: 1.795431549117866
Energy: 2.01537995890553
Energy: 1.9236683999487512
Energy: 1.3686728532076102
Energy: 1.3655842786484387
Energy: 1.7512760583937241
Energy: 1.3655842786508583
Energy: 1.3424957019060062
Energy: 1.357361071785648
Energy: 1.747110743114191
Energy: 1.357361071785648
Energy: 1.3397504356794132
Energy: 1.3595584555700253
Energy: 1.6704939911394343
Energy: 1.35955845557118
Energy: 1.3416003142841273
Energy: 1.3605097956259555
Energy: 1.6970507548067155
Energy: 1.3605097956259555
Energy: 1.398854554430814
Energy: 1.4424247150476468
Energy: 1.636117490861473
Energy: 1.4424247150440177
Energy: 1.39843767491118
Energy: 1.4436514980007533
Energy: 1.6089883767908002
Energy: 1.443651498003173
Energy: 1.4017069825725215
Energy: 1.4400710869933064
Energy: 1.6070967716025006
Energy: 1.4400710869933064
Energy: 1.4751457465496702
Energy: 1.4318048532192647
Energy: 1.5991058920527876
Energy: 1.4318048532180547
Energy: 1.7363056163946566
Energy: 1.6466822387296942
Energy: 1.671566609853694
Energy: 1.6466822387321138
Energy: 1.400889439054318
Energy: 1.4666418971959692
Energy: 1.657540692763867
Energy: 1.4666418971947595
Energy: 1.6560890051629718
Energy: 1.452266685376941
Energy: 1.8061365289609992
Energy: 1.4522666853781507
Energy: 1.5772109117101993
Energy: 1.6409337596101625
Energy: 1.8066603034146451
Energy: 1.6409337596089528
Energy: 1.6078171241386212
Energy: 1.4665719646819548
Energy: 1.4016900486054085
Energy: 1.4665719646831648
Energy: 1.6098300110305372
Energy: 1.441687146868364
Energy: 1.4019644517093268
Energy: 1.441687146868364
Energy: 1.6073283498339819
Energy: 1.4403099582740204
Energy: 1.4009518322611578
Energy: 1.4403099582740204
Energy: 1.657450878678851
Energy: 1.445016652348626
Energy: 1.4573342954215962
Energy: 1.4450166523474162
Energy: 1.7386298795010524
Energy: 1.3574144131621777
Energy: 1.3378217603728972
Energy: 1.3574144131621777
Energy: 1.7485455377286858
Energy: 1.3613069681046506
Energy: 1.3420222851466737
Energy: 1.3613069681046506
Energy: 1.7421353984406498
Energy: 1.3591086773899559
Energy: 1.3422374765517635
Energy: 1.3591086773899559
Energy: 1.7614748456846603
Energy: 1.4973107938451768
Energy: 1.8786970795354363
Energy: 1.4973107938766315
Energy: 1.9040775213066587
Energy: 1.4817682423143543
Energy: 1.8786565077882975
Energy: 1.4817682423022562
Energy: 1.6437468260562351
Energy: 1.3652715888242837
Energy: 1.4611519930431631
Energy: 1.3652715888254934
Energy: 1.8112151478457
Energy: 1.4087065435158768
Energy: 1.4620946592880317
Energy: 1.4087065435146673
Energy: 1.813691025191756
Energy: 1.340694329080708
Energy: 1.4072813537022206
Energy: 1.340694329081918
Energy: 1.4876009714375875
Energy: 1.4872367759138083
Energy: 1.5379181815041467
Energy: 1.4872367759125986
Energy: 1.484015607428143
Energy: 1.5041316439932426
Energy: 1.4873988561460434
Energy: 1.5041316439896129
Energy: 1.4877103884334222
Energy: 1.4844387897049218
Energy: 1.4849606136972051
Energy: 1.484438789706132
Energy: 1.3641492096207097
Energy: 1.5342239414142325
Energy: 1.4876413605025487
Energy: 1.5342239414130228
Energy: 1.4060233112204725
Energy: 1.4071182193046876
Energy: 1.7405453838245795
Energy: 1.4071182193046876
Energy: 1.4628669225870063
Energy: 1.4078603621862114
Energy: 1.7393379530634325
Energy: 1.4078603621862114
Energy: 1.4618726435331928
Energy: 1.3650379866953648
Energy: 1.7870949129242655
Energy: 1.365037986692945
Energy: 1.9507735909224564
Energy: 1.8105125575645604
Energy: 1.9455130576341564
Energy: 1.8105125575669798

minimum gb energy = 1.3378217603728972 eV
minimum distance =  2.32774640386263 Angstroms
sigma value = 1


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

Energy: 2.233318986021531
Energy: 1.2755021420508135
Energy: 1.659327157555357
Energy: 1.650656793747353
Energy: 1.6089794469594456
Energy: 1.3749077743863594
Energy: 1.3448222486932344
Energy: 1.3749077743846863
Energy: 1.351089658524462
Energy: 1.372277381394525
Energy: 1.6083433641978087
Energy: 1.372277381394525
Energy: 1.3452186017007794
Energy: 1.3773163424528136
Energy: 1.4108933373757833
Energy: 1.3773163424528136
Energy: 1.3461881281122843
Energy: 1.381295078904202
Energy: 1.4519143270131685
Energy: 1.381295078904202
Energy: 1.3447190015303145
Energy: 1.3805853435184163
Energy: 1.4521826848034443
Energy: 1.3805853435184163
Energy: 1.3441555096210516
Energy: 1.377637433032032
Energy: 1.6096839247377959
Energy: 1.377637433032032
Energy: 1.350629336260564
Energy: 1.372001960530288
Energy: 1.609218242783331
Energy: 1.372001960530288
Energy: 1.3468960051931989
Energy: 1.3720577070357685
Energy: 1.525842171370804
Energy: 1.3720577070340956
Energy: 1.5886844437082703
Energy: 1.6689442692640077
Energy: 1.671895982523598
Energy: 1.6689442692640077
Energy: 1.346279290423236
Energy: 1.3708049396265798
Energy: 1.5709546824229061
Energy: 1.3708049396265798
Energy: 1.3461255418978941
Energy: 1.3728375718315808
Energy: 1.7737955749689318
Energy: 1.3728375718332537
Energy: 1.6523139909688467
Energy: 1.379862587505413
Energy: 1.7751238946303567
Energy: 1.379862587505413
Energy: 1.342868674234285
Energy: 1.3684943911494416
Energy: 1.345763908687993
Energy: 1.3684943911494416
Energy: 1.4104202386811868
Energy: 1.3795737242118473
Energy: 1.3505303448742954
Energy: 1.3795737242118473
Energy: 1.4117299735468631
Energy: 1.3720527027803795
Energy: 1.3463519244973579
Energy: 1.3720527027820522
Energy: 1.451842028400344
Energy: 1.4448043049601922
Energy: 1.3455528840253526
Energy: 1.4448043049601922
Energy: 1.6084516818894146
Energy: 1.3722698744513555
Energy: 1.3461975008475509
Energy: 1.3722698744513555
Energy: 1.6094267467256125
Energy: 1.3811030226675125
Energy: 1.3474325078170386
Energy: 1.3811030226675125
Energy: 1.5319276703348708
Energy: 1.3763676389064456
Energy: 1.3468028894268396
Energy: 1.376367638904773
Energy: 1.3452173179692526
Energy: 1.3739094820771065
Energy: 1.589110158302629
Energy: 1.3739094820771065
Energy: 1.3454027808003035
Energy: 1.3457893681710538
Energy: 1.5891077492705936
Energy: 1.3457893681710538
Energy: 1.5710796946416612
Energy: 1.3689284356168472
Energy: 1.3454659856989288
Energy: 1.3689284356168472
Energy: 1.775170383242293
Energy: 1.3803861602668892
Energy: 1.663289798969186
Energy: 1.3803861602685619

minimum gb energy = 1.2755021420508135 eV
minimum distance =  2.3141339729802 Angstroms
sigma value = 17


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

Energy: 1.8630911932354512
Energy: 1.7822105122975191
Energy: 1.9266626166586804
Energy: 1.9251634460843112
Energy: 1.3299859720201541
Energy: 1.5198111655322095
Energy: 1.395886864066737
Energy: 1.5198111655301414
Energy: 1.318510962926741
Energy: 1.3323939037100458
Energy: 1.704941891559538
Energy: 1.3323939037090118
Energy: 1.319478894987689
Energy: 1.333863655412232
Energy: 1.7017261141717837
Energy: 1.3338636554111982
Energy: 1.3214166043821212
Energy: 1.3358057937574044
Energy: 1.549883374845751
Energy: 1.3358057937594723
Energy: 1.4540477636768783
Energy: 1.4619089069569715
Energy: 1.452414310708253
Energy: 1.4619089069569715
Energy: 1.4547335925584381
Energy: 1.4618648726455765
Energy: 1.4521679611629459
Energy: 1.461864872648678
Energy: 1.4727410907438183
Energy: 1.461945283280019
Energy: 1.4510540496117372
Energy: 1.4619452832810527
Energy: 1.5498356109327334
Energy: 1.3332766438636188
Energy: 1.3179661455562295
Energy: 1.333276643862585
Energy: 1.64485481773094
Energy: 1.3346808989386874
Energy: 1.3178866781146297
Energy: 1.3346808989376535
Energy: 1.7357583365653317
Energy: 1.3346200519137636
Energy: 1.3185806697743043
Energy: 1.3346200519137636
Energy: 1.3975262492666751
Energy: 1.4384677818888434
Energy: 1.6093888926496744
Energy: 1.4384677818888434
Energy: 1.7076362730675878
Energy: 1.491633439901184
Energy: 1.6112469120009438
Energy: 1.4916334399001498
Energy: 1.5836304106252568
Energy: 1.3225944028382697
Energy: 1.3181948500711813
Energy: 1.3225944028382697
Energy: 1.6975892596465743
Energy: 1.3156160493527238
Energy: 1.4399601649481437
Energy: 1.3156160493516895
Energy: 1.7762328555544986
Energy: 1.3328111678558692
Energy: 1.4219426199531828
Energy: 1.3328111678558692
Energy: 1.3960860229392764
Energy: 1.4412057093402075
Energy: 1.541138294213813
Energy: 1.4412057093381399
Energy: 1.3969200805423532
Energy: 1.4471742385249293
Energy: 1.5380829018858353
Energy: 1.4471742385249293
Energy: 1.3984868852889314
Energy: 1.4390311701911276
Energy: 1.5391493504607865
Energy: 1.4390311701931955
Energy: 1.468105179415991
Energy: 1.5283650819074288
Energy: 1.572956245679201
Energy: 1.5283650819084624
Energy: 1.3541888116627105
Energy: 1.38994380452632
Energy: 1.6463965807068484
Energy: 1.3899438045273536
Energy: 1.3527414163748093
Energy: 1.3914298701203636
Energy: 1.6468255964488974
Energy: 1.3914298701203636
Energy: 1.3533005234369906
Energy: 1.381551407564008
Energy: 1.3550944787228736
Energy: 1.3815514075619402
Energy: 1.757404458052019
Energy: 1.5455094204226283
Energy: 1.6469215720130208
Energy: 1.5455094204246962
Energy: 1.5809652532816765
Energy: 1.3909747558062082
Energy: 1.4738156468288575
Energy: 1.3909747558062082
Energy: 1.4743287709617272
Energy: 1.3921406954495295
Energy: 1.3537043570296738
Energy: 1.3921406954536648
Energy: 1.676026096902127
Energy: 1.6558388313637875
Energy: 1.8180242403060674
Energy: 1.655838831366889
Energy: 1.360299665175233
Energy: 1.390681340960071
Energy: 1.372702550791992
Energy: 1.3906813409611047
Energy: 1.6466006042410881
Energy: 1.3905969165360186
Energy: 1.3529889685397907
Energy: 1.3905969165360186
Energy: 1.589534606910751
Energy: 1.3920102630674664
Energy: 1.3518868703748146
Energy: 1.3920102630685003
Energy: 1.6336754667805669
Energy: 1.3926348941902977
Energy: 1.352713189160646
Energy: 1.3926348941923654
Energy: 1.5687103523976351
Energy: 1.4476396570014618
Energy: 1.395782918102195
Energy: 1.4476396570014618
Energy: 1.5380751380883897
Energy: 1.4456921181573656
Energy: 1.3974485946901647
Energy: 1.4456921181532303
Energy: 1.538753134382059
Energy: 1.439262715873459
Energy: 1.3966463129693778
Energy: 1.4392627158755267
Energy: 1.320225831223263
Energy: 1.3339734823663185
Energy: 1.397001835174282
Energy: 1.3339734823673526
Energy: 1.427683595277463
Energy: 1.424163265048399
Energy: 1.7600696590932914
Energy: 1.4241632650473655
Energy: 1.4419411344026487
Energy: 1.3342234634776569
Energy: 1.5821405129843082
Energy: 1.3342234634797248
Energy: 1.3702709460860305
Energy: 1.4406510390383653
Energy: 1.3961604615118008
Energy: 1.4406510390383653

minimum gb energy = 1.3156160493516895 eV
minimum distance =  2.28570389984807 Angstroms
sigma value = 89


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

Energy: 2.421787923597999
Energy: 1.2665622943940475
Energy: 1.674441777176249
Energy: 1.6103565874264525
Energy: 1.3073479051085213
Energy: 1.3253215103966691
Energy: 1.2881773123880995
Energy: 1.3253215103958698
Energy: 1.289681004537553
Energy: 1.3223031263253626
Energy: 1.471846754031081
Energy: 1.3223031263251166
Energy: 1.2880390223904477
Energy: 1.3234362741122543
Energy: 1.4717957087726232
Energy: 1.3234362741119776
Energy: 1.2899958486689145
Energy: 1.3713814792540207
Energy: 1.4435139803228492
Energy: 1.3713814792540207
Energy: 1.3982032268083382
Energy: 1.3702523706071277
Energy: 1.395673926208415
Energy: 1.370252370607681
Energy: 1.3966840602549981
Energy: 1.371342561367327
Energy: 1.397101696989939
Energy: 1.3713425613676036
Energy: 1.4403301960060038
Energy: 1.3737433825337488
Energy: 1.3956696547534126
Energy: 1.3737433825326726
Energy: 1.4194935653910161
Energy: 1.3238695033309782
Energy: 1.288337554430519
Energy: 1.3238695033315317
Energy: 1.4206392850219474
Energy: 1.3248406713373475
Energy: 1.2893915036998977
Energy: 1.3248406713365481
Energy: 1.4210610751068171
Energy: 1.3226551282224677
Energy: 1.290804044284454
Energy: 1.3226551282224677
Energy: 1.28760127673916
Energy: 1.3219914195776439
Energy: 1.6131765260827624
Energy: 1.3219914195784432
Energy: 1.2892067506380496
Energy: 1.286623258357938
Energy: 1.4075094995676598
Energy: 1.286623258359014
Energy: 1.2896014379980574
Energy: 1.3808899322968011
Energy: 1.2900624117738966
Energy: 1.3808899322965245
Energy: 1.3084220912645832
Energy: 1.3235834296761693
Energy: 1.2906436688539917
Energy: 1.3235834296761693

minimum gb energy = 1.2665622943940475 eV
minimum distance =  2.29954142906683 Angstroms
sigma value = 13


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

Energy: 1.5286082760933097
Energy: 1.2409738062741391
Energy: 1.496101774389259
Energy: 1.4965476681683114
Energy: 1.2679936026514902
Energy: 1.283523113367832
Energy: 1.2572888167270448
Energy: 1.283523113367832
Energy: 1.2572569554166084
Energy: 1.2810211817232924
Energy: 1.4951786594839749
Energy: 1.2810211817244261
Energy: 1.2539148375977522
Energy: 1.280653273820467
Energy: 1.4907617379946452
Energy: 1.280653273820467
Energy: 1.2604325594649939
Energy: 1.4086949802839916
Energy: 1.3713026318650228
Energy: 1.408694980282858
Energy: 1.4243328233800725
Energy: 1.3052759110479741
Energy: 1.3080272205353
Energy: 1.3052759110479741
Energy: 1.4197847624261812
Energy: 1.3047486255662688
Energy: 1.3081796960474976
Energy: 1.3047486255674028
Energy: 1.462062655970855
Energy: 1.2963810698883689
Energy: 1.3075891898687542
Energy: 1.2963810698883689
Energy: 1.419347148050351
Energy: 1.306594188818428
Energy: 1.3088936831468043
Energy: 1.3065941888172943
Energy: 1.4199269993934107
Energy: 1.3067491655075882
Energy: 1.3053060087682038
Energy: 1.3067491655075882
Energy: 1.4167338919512151
Energy: 1.311799179340901
Energy: 1.3712120810397832
Energy: 1.311799179340901
Energy: 1.254310024942265
Energy: 1.2802245828350862
Energy: 1.394241043370254
Energy: 1.2802245828350862
Energy: 1.2565271011168735
Energy: 1.2798415091898445
Energy: 1.3957218455555322
Energy: 1.2798415091909783
Energy: 1.2565388213079185
Energy: 1.2863051258477212
Energy: 1.3973019925797205
Energy: 1.2863051258454534
Energy: 1.3946278583939224
Energy: 1.2551515178378563
Energy: 1.2552691705925936
Energy: 1.2551515178367223
Energy: 1.3911639045813922
Energy: 1.2806463298642736
Energy: 1.25714019418618
Energy: 1.2806463298642736
Energy: 1.2565087482073194
Energy: 1.2881985431534728
Energy: 1.2566376202662215
Energy: 1.2881985431534728
Energy: 1.2583094691495353
Energy: 1.2838420944824733
Energy: 1.4862160299180114
Energy: 1.2838420944813396
Energy: 1.2607902459759965
Energy: 1.281453710323183
Energy: 1.2679278455701506
Energy: 1.2814537103243167
Energy: 1.3950959223302615
Energy: 1.283078299929268
Energy: 1.2569065118490919
Energy: 1.283078299929268
Energy: 1.5316180492894471
Energy: 1.28338032606037
Energy: 1.2547637533131926
Energy: 1.28338032606037
Energy: 1.3708978100305873
Energy: 1.2848850932694849
Energy: 1.2562800322971857
Energy: 1.2848850932706188
Energy: 1.313144303095627
Energy: 1.3057819254407521
Energy: 1.4193814032804173
Energy: 1.3057819254396181
Energy: 1.3119460715121405
Energy: 1.3052120693228715
Energy: 1.3409800409671733
Energy: 1.3052120693228715
Energy: 1.3054611507158633
Energy: 1.306334810636813
Energy: 1.4095082935616645
Energy: 1.306334810636813
Energy: 1.305911914241989
Energy: 1.310153399792118
Energy: 1.40999017271936
Energy: 1.3101533997909842
Energy: 1.3078657642310336
Energy: 1.3082461304103976
Energy: 1.4206678693015027
Energy: 1.3082461304103976
Energy: 1.3705672594618106
Energy: 1.3082364184530633
Energy: 1.4169769014097942
Energy: 1.3082364184530633
Energy: 1.3705148321132072
Energy: 1.2818077073374505
Energy: 1.254832960888394
Energy: 1.2818077073385843
Energy: 1.4150780229799818
Energy: 1.2812638622424661
Energy: 1.2575787925965811
Energy: 1.2812638622436001
Energy: 1.3954064951205016
Energy: 1.2883073985636069
Energy: 1.25676706736214
Energy: 1.2883073985624731
Energy: 1.25695598795416
Energy: 1.2804835671719292
Energy: 1.3916254453521826
Energy: 1.2804835671719292
Energy: 1.2569580044556248
Energy: 1.2545487307032979
Energy: 1.3937710765603535
Energy: 1.2545487307010303
Energy: 1.256627112915935
Energy: 1.3207748858489943
Energy: 1.2564958920909504
Energy: 1.3207748858478605
Energy: 1.267556973163605
Energy: 1.280384547841765
Energy: 1.2637203480827146
Energy: 1.280384547841765

minimum gb energy = 1.2409738062741391 eV
minimum distance =  2.30397508758793 Angstroms
sigma value = 37


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

Energy: 1.5131330969453283
Energy: 1.1943615629523796
Energy: 1.4212226172383342
Energy: 1.4223171574981657
Energy: 1.2061467726833999
Energy: 1.2237877328280948
Energy: 1.203209721132252
Energy: 1.2237877328280948
Energy: 1.2039152962257356
Energy: 1.226418050307586
Energy: 1.447168807329223
Energy: 1.22641805030701
Energy: 1.2022656109899503
Energy: 1.224263122636763
Energy: 1.4467642365801954
Energy: 1.2242631226373393
Energy: 1.3374943378228215
Energy: 1.3095786192331638
Energy: 1.2869557394381264
Energy: 1.3095786192329641
Energy: 1.3887532078759377
Energy: 1.225475180708048
Energy: 1.2299975472998694
Energy: 1.225475180708048
Energy: 1.3151347458609515
Energy: 1.2245376227522964
Energy: 1.2299957636332388
Energy: 1.2245376227516978
Energy: 1.359668356294773
Energy: 1.2781383298512659
Energy: 1.2175902123055418
Energy: 1.2781383298428866
Energy: 1.2828982495105747
Energy: 1.205134303832815
Energy: 1.2839776299059782
Energy: 1.2051343038322384
Energy: 1.2841318207984869
Energy: 1.2044842405754512
Energy: 1.2838299090955092
Energy: 1.2044842405758283
Energy: 1.2626788955399832
Energy: 1.302842649355854
Energy: 1.3601904289212892
Energy: 1.3028426493556546
Energy: 1.2304109090765403
Energy: 1.2243869647632815
Energy: 1.3896002238354956
Energy: 1.2243869647632815
Energy: 1.226116808343999
Energy: 1.2251421059712149
Energy: 1.3895495692153474
Energy: 1.2251421059721903
Energy: 1.28829784534926
Energy: 1.3377447237652853
Energy: 1.338769995092912
Energy: 1.3377447237652853
Energy: 1.3789026618633238
Energy: 1.2233892423093478
Energy: 1.2039857127474851
Energy: 1.2233892423093478
Energy: 1.2847663420709055
Energy: 1.2242907616154777
Energy: 1.204338285399933
Energy: 1.2242907616154777
Energy: 1.3531790018995034
Energy: 1.309908114443366
Energy: 1.204555686633326
Energy: 1.3099081144427895
Energy: 1.4205349696281786
Energy: 1.2029674900683456
Energy: 1.3395904982124096
Energy: 1.202967490068545
Energy: 1.204207162750914
Energy: 1.2261309613372648
Energy: 1.339163828774052
Energy: 1.226130961337863
Energy: 1.204449362635702
Energy: 1.223490565596597
Energy: 1.2043389780501914
Energy: 1.223490565596198

minimum gb energy = 1.1943615629523796 eV
minimum distance =  2.30114073601808 Angstroms
sigma value = 25


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

Energy: 1.4588782142890737
Energy: 1.1054864498008479
Energy: 1.2803784480452833
Energy: 1.279491953258803
Energy: 1.1137979245521457
Energy: 1.1321970395522416
Energy: 1.1127898433163192
Energy: 1.1321970395522416
Energy: 1.1131288188866508
Energy: 1.130667670822307
Energy: 1.1229029803003494
Energy: 1.130667670822307
Energy: 1.1233937764000894
Energy: 1.1269389163977157
Energy: 1.1546091304615393
Energy: 1.126938916399239
Energy: 1.1311357535251259
Energy: 1.1308873093278917
Energy: 1.130011194026296
Energy: 1.130887309329415
Energy: 1.1206340897626004
Energy: 1.1224462839658422
Energy: 1.1300507302730258
Energy: 1.122446283964319
Energy: 1.1179967520862595
Energy: 1.1223238597268592
Energy: 1.1328551737580397
Energy: 1.1223238597268592
Energy: 1.1857975376851266
Energy: 1.157853531644445
Energy: 1.129665261057682
Energy: 1.157853531644445
Energy: 1.1552995750083495
Energy: 1.0908895192236183
Energy: 1.127399396341112
Energy: 1.0908895192251415
Energy: 1.1568939982836943
Energy: 1.090586724835202
Energy: 1.2236896081334345
Energy: 1.0905867248321555
Energy: 1.1217945651496746
Energy: 1.1224644128212296
Energy: 1.2255186347423022
Energy: 1.1224644128212296
Energy: 1.1932537976271769
Energy: 1.0796660465401975
Energy: 1.193300572852476
Energy: 1.0796660465401975
Energy: 1.2033998870332983
Energy: 1.0810826285749546
Energy: 1.1933052154528463
Energy: 1.0810826285749546
Energy: 1.2247109249689345
Energy: 1.1194374194373633
Energy: 1.1207180527897849
Energy: 1.1194374194358399
Energy: 1.1265772450235296
Energy: 1.0915983274883958
Energy: 1.1567778392680064
Energy: 1.0915983274883958
Energy: 1.1279117107358352
Energy: 1.0903473779499868
Energy: 1.1571287509750041
Energy: 1.0903473779484636
Energy: 1.1269877059101723
Energy: 1.1205367690201384
Energy: 1.1852303375463131
Energy: 1.1205367690201384
Energy: 1.1300318220906442
Energy: 1.1220870224728192
Energy: 1.1216456736336038
Energy: 1.1220870224712958
Energy: 1.1301853735277967
Energy: 1.1237875568416171
Energy: 1.1126422628983434
Energy: 1.1237875568416171
Energy: 1.1299945114099252
Energy: 1.131904209626299
Energy: 1.1123385693177952
Energy: 1.1319042096247758
Energy: 1.1271313830725036
Energy: 1.129346771423237
Energy: 1.1137859196847848
Energy: 1.129346771423237
Energy: 1.130006843667477
Energy: 1.1313614030515433
Energy: 1.113233228871707
Energy: 1.1313614030515433
Energy: 1.1298735037512375
Energy: 1.1457265933530585
Energy: 1.1247290590396364
Energy: 1.1457265933515353
Energy: 1.2837163673344627
Energy: 1.1127512196727052
Energy: 1.1271968308804774
Energy: 1.1127512196727052
Energy: 1.112931041057726
Energy: 1.1333630959635967
Energy: 1.1129698310300402
Energy: 1.1333630959635967
Energy: 1.2356199145710327
Energy: 1.1278771604918503
Energy: 1.1128024749259326
Energy: 1.127877160490327

minimum gb energy = 1.0796660465401975 eV
minimum distance =  2.3111272328657 Angstroms
sigma value = 41


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

Energy: 1.1844645077818796
Energy: 1.0257450033663458
Energy: 1.1665306487094955
Energy: 1.1668602720769172
Energy: 1.0311395370961451
Energy: 1.0608292037769176
Energy: 1.0307226954640756
Energy: 1.0608292037756688
Energy: 1.0304346210482513
Energy: 1.044992028073881
Energy: 1.0519442920003
Energy: 1.044992028073881
Energy: 1.0322083187153372
Energy: 1.043379240632444
Energy: 1.0697850760262209
Energy: 1.0433792406299465
Energy: 1.0463440295640907
Energy: 1.030827436858466
Energy: 1.0441973230027441
Energy: 1.030827436858466
Energy: 1.0342706286507486
Energy: 1.037848552726744
Energy: 1.0439269961693127
Energy: 1.0378485527279926
Energy: 1.0309130578683683
Energy: 1.0368291272464052
Energy: 1.045596858730615
Energy: 1.0368291272439074
Energy: 1.0879403018594989
Energy: 1.0785809271654558
Energy: 1.0480337015591137
Energy: 1.0785809271654558
Energy: 1.064285793412138
Energy: 1.0054981408852406
Energy: 1.0513559850559444
Energy: 1.0054981408877384
Energy: 1.0658325920668996
Energy: 1.0059829249239298
Energy: 1.0511802491127913
Energy: 1.005982924922681
Energy: 1.0511304526304295
Energy: 0.9883978712629112
Energy: 1.1230863499410595
Energy: 0.9883978712629112
Energy: 1.0950258310447971
Energy: 0.988440907275949
Energy: 1.0882757012036612
Energy: 0.988440907277198
Energy: 1.129134193818846
Energy: 0.987776025029793
Energy: 1.08963117972813
Energy: 0.9877760250272954
Energy: 1.1191031485219658
Energy: 0.9826877878286584
Energy: 1.045113345109119
Energy: 0.9826877878261606
Energy: 1.1155952153535789
Energy: 0.9812617301734198
Energy: 1.1151881711009815
Energy: 0.9812617301746686
Energy: 1.1201038604972344
Energy: 0.9826258674682679
Energy: 1.1136818546414622
Energy: 0.9826258674670191
Energy: 1.0701622090923595
Energy: 0.9875942691831864
Energy: 1.1189169429964496
Energy: 0.9875942691831864
Energy: 1.0855761601864957
Energy: 0.9877085097983319
Energy: 1.0953054498455852
Energy: 0.9877085098008297
Energy: 1.0989132689680843
Energy: 0.9873739124613468
Energy: 1.097557472478872
Energy: 0.9873739124625955
Energy: 1.1190095267437214
Energy: 1.006205190306827
Energy: 1.063150462084251
Energy: 1.006205190305578
Energy: 1.04811516353946
Energy: 1.0061448077942292
Energy: 1.065532188782255
Energy: 1.0061448077917314
Energy: 1.044438941688638
Energy: 1.0067270542248044
Energy: 1.088958608521444
Energy: 1.0067270542223068
Energy: 1.046472395531011
Energy: 1.0373083890652786
Energy: 1.0889197730878108
Energy: 1.0373083890652786
Energy: 1.0443258159573716
Energy: 1.0380993808074195
Energy: 1.061606858854945
Energy: 1.038099380806171
Energy: 1.0442975550565667
Energy: 1.0386371258062967
Energy: 1.0468995920378803
Energy: 1.0386371258062967
Energy: 1.0728113874118392
Energy: 1.045072894942317
Energy: 1.0329608985582495
Energy: 1.045072894941068
Energy: 1.0266279774854208
Energy: 1.0431542674337106
Energy: 1.030942778743647
Energy: 1.043154267431213
Energy: 1.0435420098012338
Energy: 1.0657958913493435
Energy: 1.0309771259951144
Energy: 1.06579589135309
Energy: 1.034326823001401
Energy: 1.0425090333583593
Energy: 1.044977584821621
Energy: 1.0425090333558615
Energy: 1.030595873161912
Energy: 1.0436105089680705
Energy: 1.0450344286735982
Energy: 1.0436105089668217
Energy: 1.030652200298957
Energy: 1.0504511147509412
Energy: 1.0309528892902895
Energy: 1.0504511147509412
Energy: 1.0205885768826959
Energy: 1.0427711160530917
Energy: 1.0351428880553368
Energy: 1.0427711160543407

minimum gb energy = 0.9812617301734198 eV
minimum distance =  2.31418276628875 Angstroms
sigma value = 15


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

Energy: 1.1124790211085283
Energy: 0.9573839962685003
Energy: 1.1192112960269949
Energy: 1.0750745885270565
Energy: 0.9617225839201098
Energy: 0.9867030094561334
Energy: 0.9719236116800593
Energy: 0.9867030094561334
Energy: 0.9606502769881369
Energy: 0.9732909779320436
Energy: 0.9785541390302341
Energy: 0.9732909779309856
Energy: 0.9618308864051285
Energy: 0.9714899610029246
Energy: 0.9982828465564305
Energy: 0.9714899610008086
Energy: 0.9768691629364246
Energy: 0.9631235221091364
Energy: 0.9718100504196049
Energy: 0.9631235221091364
Energy: 0.998533508425903
Energy: 0.9663244207687692
Energy: 0.9791553401200821
Energy: 0.9663244207698272
Energy: 0.9800275758166792
Energy: 0.966473841584686
Energy: 0.9768661813971754
Energy: 0.966473841584686
Energy: 1.0096025148779422
Energy: 1.0092687481693141
Energy: 0.9779439563315925
Energy: 1.009268748170372
Energy: 0.9888298075706002
Energy: 0.9375269210018004
Energy: 0.9820244591661677
Energy: 0.9375269210028583
Energy: 0.9830789196619245
Energy: 0.9374760608704596
Energy: 0.9820132016716954
Energy: 0.9374760608683438
Energy: 0.9788463517557942
Energy: 0.9179331987553498
Energy: 1.0418283832032964
Energy: 0.917933198753234
Energy: 0.9726942819881403
Energy: 0.9183096956131908
Energy: 1.0052343899242473
Energy: 0.9183096956131908
Energy: 1.0332551493357027
Energy: 0.9190520580818222
Energy: 0.9789546566882116
Energy: 0.9190520580797065
Energy: 1.03432970226012
Energy: 0.906570048843242
Energy: 0.9755068770547798
Energy: 0.9065700488443
Energy: 1.0318235087419443
Energy: 0.9077401156470644
Energy: 1.0199572580505123
Energy: 0.9077401156470644
Energy: 1.0007686607356432
Energy: 0.9088802054285176
Energy: 1.0325291850320297
Energy: 0.9088802054306334
Energy: 1.0261108302452018
Energy: 0.9049660081297456
Energy: 1.0348219152311524
Energy: 0.9049660081318616
Energy: 1.04821911860614
Energy: 0.9030578068806534
Energy: 1.0485075226273657
Energy: 0.9030578068795954
Energy: 1.0355700234512557
Energy: 0.904445306089421
Energy: 0.9831453548797181
Energy: 0.904445306090479
Energy: 1.0328236700670481
Energy: 0.9082022406587026
Energy: 1.0084039019437554
Energy: 0.9082022406597604
Energy: 1.0200662661527466
Energy: 0.9080179705844263
Energy: 1.0333881318810887
Energy: 0.9080179705844263
Energy: 0.9750745094026024
Energy: 0.9062715819639175
Energy: 1.0334698585095863
Energy: 0.9062715819628595
Energy: 0.9955321128466912
Energy: 0.9191029812086985
Energy: 1.0331064760515063
Energy: 0.9191029812065825
Energy: 1.0065546370653349
Energy: 0.9182049700870155
Energy: 0.9785922007735314
Energy: 0.9182049700859576
Energy: 1.0411808984920816
Energy: 0.9190051970548295
Energy: 0.9787110065606596
Energy: 0.9190051970548295
Energy: 1.0347154440962207
Energy: 0.9376045920105339
Energy: 0.9903007826839688
Energy: 0.9376045920063021
Energy: 0.9771633775074348
Energy: 0.9376862947412845
Energy: 0.9883041547813743
Energy: 0.9376862947402266
Energy: 0.9789656101029852
Energy: 0.9382720623962846
Energy: 1.0098105201227356
Energy: 0.9382720623962846
Energy: 0.9759626831070797
Energy: 0.966993828456092
Energy: 0.971736876309312
Energy: 0.966993828456092
Energy: 0.9777753488547442
Energy: 0.9676612624279023
Energy: 0.9714358749170086
Energy: 0.9676612624257863
Energy: 0.9718589660310525
Energy: 0.9633080847852854
Energy: 0.976713555869387
Energy: 0.9633080847831695
Energy: 0.9883434317878838
Energy: 0.9711318717987202
Energy: 0.9616528716580158
Energy: 0.9711318717987202
Energy: 0.9892089714135249
Energy: 0.9735971044975584
Energy: 0.9612623475364122
Energy: 0.9735971044996743
Energy: 0.9720798384254355
Energy: 0.9677238821254902
Energy: 0.9613297762682527
Energy: 0.9677238821254902
Energy: 1.107888119424513
Energy: 1.108306710466057
Energy: 0.9764655405166103
Energy: 1.108306710467115
Energy: 0.9605841367007891
Energy: 0.9742816427776753
Energy: 0.9695612864331514
Energy: 0.9742816427776753
Energy: 0.9845454742789338
Energy: 0.9739809991126528
Energy: 0.9614019273249045
Energy: 0.9739809991105368

minimum gb energy = 0.9030578068795954 eV
minimum distance =  2.31456982236068 Angstroms
sigma value = 85


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

Energy: 1.0471368581856908
Energy: 0.826970993347124
Energy: 0.9557409219091184
Energy: 0.9551473934679949
Energy: 0.8414133857975893
Energy: 0.8757006057823059
Energy: 0.8646452220738755
Energy: 0.8757006057832235
Energy: 0.8482237824245211
Energy: 0.8560421353672742
Energy: 0.8924596436689658
Energy: 0.8560421353663566
Energy: 0.8481030344179562
Energy: 0.8537092857653078
Energy: 0.8642871876424555
Energy: 0.8537092857653078
Energy: 0.8649133142278739
Energy: 0.8518511352001056
Energy: 0.8649944888350999
Energy: 0.8518511351771667
Energy: 0.90023136716775
Energy: 0.8528498536708831
Energy: 0.8646850249329014
Energy: 0.8528498536699655
Energy: 0.8700926145734945
Energy: 0.8520736277213755
Energy: 0.8644110324934201
Energy: 0.8520736277195404
Energy: 0.9008281741633658
Energy: 0.9069978473863402
Energy: 0.9069448667671024
Energy: 0.9069978473872576
Energy: 0.8883576180841553
Energy: 0.8339400458484311
Energy: 0.882046720074409
Energy: 0.8339400458502663
Energy: 0.8923628043029072
Energy: 0.8342910088307189
Energy: 0.9064208270277917
Energy: 0.8342910088325541
Energy: 0.889492520655703
Energy: 0.8266725573351859
Energy: 0.9270729242831908
Energy: 0.8266725573361035
Energy: 0.8835050515429197
Energy: 0.8243365975380511
Energy: 0.9084763712249265
Energy: 0.8243365975389688
Energy: 0.9339977232648159
Energy: 0.8246499163813532
Energy: 0.8941545227482499
Energy: 0.8246499163822708
Energy: 0.9356045311114759
Energy: 0.8215697753880201
Energy: 0.8925642762993004
Energy: 0.8215697753871026
Energy: 0.9315741610475895
Energy: 0.8197506620332424
Energy: 0.8930363545584742
Energy: 0.8197506620332424
Energy: 0.90215541421226
Energy: 0.8209127350382888
Energy: 0.9399014619908886
Energy: 0.8209127350382888
Energy: 0.9016806302918517
Energy: 0.8204556952581102
Energy: 0.9408018609165435
Energy: 0.8204556952599453
Energy: 0.9445762574203027
Energy: 0.8192279083974813
Energy: 0.9545064116001936
Energy: 0.8192279083983988
Energy: 0.943188592686221
Energy: 0.8199750823236128
Energy: 0.9101584288752761
Energy: 0.8199750823236128
Energy: 0.9434158109543359
Energy: 0.8188847591338484
Energy: 0.9486499571984652
Energy: 0.8188847591338484
Energy: 0.9766761216273471
Energy: 0.8190953967671535
Energy: 0.9764292076628669
Energy: 0.819095396766236
Energy: 0.9086803693498351
Energy: 0.8200234957777829
Energy: 0.9442076044919364
Energy: 0.8200234957768653
Energy: 0.9354341240828389
Energy: 0.8193932887968589
Energy: 0.9432705340123528
Energy: 0.8193932887968589
Energy: 0.9544395880646738
Energy: 0.8190725066202076
Energy: 0.9447852715282512
Energy: 0.8190725066202076
Energy: 0.9412742759254793
Energy: 0.8210118155509296
Energy: 0.9011482881215933
Energy: 0.8210118155509296
Energy: 0.9399614611903039
Energy: 0.8204134789372741
Energy: 0.9189270804531402
Energy: 0.8204134789381917
Energy: 0.9454295035787909
Energy: 0.8203585086700508
Energy: 0.9328054714159025
Energy: 0.8203585086682156
Energy: 0.8924536857637109
Energy: 0.8977067130873959
Energy: 0.9339594538977166
Energy: 0.8977067130864782
Energy: 0.9039322072611728
Energy: 0.8242090887700713
Energy: 0.8896493274484085
Energy: 0.8242090887700713
Energy: 0.9092449665280835
Energy: 0.8248443788360482
Energy: 0.8896560593729322
Energy: 0.8248443788351306
Energy: 0.9272563321950309
Energy: 0.8667846006397679
Energy: 0.8892396377197805
Energy: 0.8667846006416029
Energy: 0.8784909750165616
Energy: 0.8340897121365844
Energy: 0.8863721111594343
Energy: 0.8340897121375018
Energy: 0.8740994199720523
Energy: 0.83495370951501
Energy: 0.8862725909214147
Energy: 0.83495370951501
Energy: 0.8737876381672685
Energy: 0.8526669791515693
Energy: 0.9005609753273505
Energy: 0.8526669791524869
Energy: 0.8654283782356764
Energy: 0.8524121956151808
Energy: 0.871804664705959
Energy: 0.8524121956151808
Energy: 0.8647330874634125
Energy: 0.8532845182574593
Energy: 0.925165041427907
Energy: 0.853284518255624
Energy: 0.8893296522275638
Energy: 0.8739395117530012
Energy: 0.8646790657731015
Energy: 0.8739395117530012
Energy: 0.8661494718909392
Energy: 0.854240767814581
Energy: 0.8493406680500611
Energy: 0.854240767814581
Energy: 0.8649589389262056
Energy: 0.8563382510201716
Energy: 0.8484057999833396
Energy: 0.8563382510201716
Energy: 0.8646810678988462
Energy: 0.853346015028819
Energy: 0.8836134067356364
Energy: 0.8533460150306541
Energy: 0.847860367495339
Energy: 0.8537870791150421
Energy: 0.8672750241049286
Energy: 0.853787079113207
Energy: 0.8482932691816432
Energy: 0.8976173194666797
Energy: 0.8486340789090479
Energy: 0.8976173194657622
Energy: 0.8609753390320709
Energy: 0.8554252045874453
Energy: 0.8479786891918314
Energy: 0.8554252045892803

minimum gb energy = 0.8188847591338484 eV
minimum distance =  2.30737780708379 Angstroms
sigma value = 113


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

Energy: 0.014976294457273437
Energy: 0.015509116062519028
Energy: 1.0934383563483774
Energy: 0.1077839702986856
Energy: 0.01581549085517056
Energy: 0.10747047983309646
Energy: 0.09444224825135762
Energy: 0.10747047983309646
Energy: 0.0910378260730068
Energy: 0.10741727998980817
Energy: 0.015643601153722188
Energy: 0.10741727998980817
Energy: 0.09098808704581922
Energy: 0.108774998725251
Energy: 0.016743859483744118
Energy: 0.10877499872595636
Energy: 0.09257004712341438
Energy: 0.10733760916793948
Energy: 0.09197538529943929
Energy: 0.10733760916727328
Energy: 0.015622877896145857
Energy: 0.10726711282680354
Energy: 0.09102388743279902
Energy: 0.10726711282746972

minimum gb energy = 0.014976294457273437 eV
minimum distance =  2.45692569823285 Angstroms
sigma value = 1