Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.620000004768371
cohesive_energy=3.540278409563981
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016717194983506524
Energy: 0.4042258294548249
Energy: 0.6374139811844971
Energy: 0.4042358775329497
Energy: 0.01671719498325117
Energy: 0.4042258294555625
Energy: 1.1181033091906722
Energy: 0.41881576791140773
Energy: 0.01699961505722014
Energy: 0.22805237747247215
Energy: 0.016928056518359543
Energy: 0.4188157679116348
Energy: 0.016999615056964786
Energy: 0.22805237747272747
Energy: 0.016717194983506524
Energy: 0.40422582945530716
Energy: 0.8420533787908523
Energy: 0.40423587753317675
Energy: 0.01671719498325117
Energy: 0.4042258294550518
Energy: 1.1181033091906722
Energy: 0.4188157679116348
Energy: 0.016999615056964786
Energy: 0.22805237747196144
Energy: 0.01692805651810419
Energy: 0.4188157679116348
Energy: 0.016999615056964786
Energy: 0.22805237747272747
Energy: 0.016717194983506524
Energy: 0.4042258294550518
Energy: 0.8420533787903416
Energy: 0.4042358775326944
Energy: 0.016717194983506524
Energy: 0.40422582945530716
Energy: 1.0480315202611608
Energy: 0.4188157679116348
Energy: 0.016999615056709435
Energy: 0.22805237747272747
Energy: 0.01692805651810419
Energy: 0.4188157679116348
Energy: 0.01699961505722014
Energy: 0.22805237747247215

minimum gb energy = 0.01671719498325117 eV
minimum distance =  2.53785976289196 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.0465593355926466
Energy: 1.0612407504020718
Energy: 1.068075590473624
Energy: 1.0613538100679265
Energy: 1.0465593355926466
Energy: 1.0612407503990213
Energy: 1.070912621783125
Energy: 0.9666290708528242
Energy: 0.9626250048875086
Energy: 1.0341368765622745
Energy: 0.9964393337842926
Energy: 0.9666290708528242
Energy: 0.9626250048875086
Energy: 1.0341368765622745
Energy: 0.9637648214544547
Energy: 0.9541167260125472
Energy: 1.0945818445715478
Energy: 0.9775592254337001
Energy: 0.9637648214544547
Energy: 0.9541167260155419
Energy: 1.0945818445715478
Energy: 1.0217761101447624
Energy: 0.9844802098109903
Energy: 1.05992095072428
Energy: 0.96454210237134
Energy: 1.021776110141712
Energy: 0.9844802098109903
Energy: 1.05992095072428
Energy: 0.9619533748867247
Energy: 0.9431547286258783
Energy: 1.1275078594714492
Energy: 0.9873642506393283
Energy: 0.9619533748867247
Energy: 0.9431547286258783
Energy: 1.1275078594714492
Energy: 1.0038222265584795
Energy: 1.0067636049458666
Energy: 0.9733988076961212
Energy: 0.9867038895567949
Energy: 1.0038222265615298
Energy: 1.0067636049458666
Energy: 0.9733988076961212
Energy: 0.956137818146754
Energy: 1.0017618891534188
Energy: 1.0461799753901884
Energy: 1.0083924722808955
Energy: 0.956137818146754
Energy: 1.0017618891534188
Energy: 1.0461799753932386
Energy: 0.9603027799711328
Energy: 0.9551161508594698
Energy: 1.0666127185468248
Energy: 0.9896561029965764
Energy: 0.9603027799711328
Energy: 0.9551161508594698
Energy: 1.0666127185468248
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Energy: 0.9756511583165974
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Energy: 0.948673862461659
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Energy: 0.9847695427505128
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Energy: 1.0037448326617828
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Energy: 1.0415286110349629
Energy: 1.0213302037253984
Energy: 0.9805176650265292
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Energy: 1.0415286110349629
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Energy: 1.1100055955206947
Energy: 0.9782906638823538
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Energy: 1.016937445229435
Energy: 1.1100055955206947
Energy: 0.9556483518638692
Energy: 1.013020904084994
Energy: 1.0503046125798192
Energy: 0.9757708770593093
Energy: 0.9556483518638692
Energy: 1.013020904084994
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Energy: 0.9743538563363306
Energy: 0.9574753612913071
Energy: 1.0467209454008155
Energy: 0.9669543672146518
Energy: 0.9743538563363306
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Energy: 1.0065798321866994
Energy: 1.0651669101734298
Energy: 1.0407124957707543
Energy: 1.0570024215246516
Energy: 1.0065798321866994
Energy: 1.0651669101734298
Energy: 1.040712495767704
Energy: 0.9805660141839072
Energy: 0.9725137390369054
Energy: 0.9984734895485113
Energy: 1.0025024848927615
Energy: 0.9805660141839072
Energy: 0.9725137390399556
Energy: 0.9984734895485113
Energy: 0.9622455664732675
Energy: 0.9402004921642223
Energy: 1.06773258642778
Energy: 0.9762434283402806
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Energy: 0.9402004921642223
Energy: 1.06773258642778
Energy: 0.9753985833845438
Energy: 0.962576193933139
Energy: 1.057623597038832
Energy: 0.9759201553223296
Energy: 0.9753985833845438
Energy: 0.962576193933139
Energy: 1.0576235970357817
Energy: 0.9647960381896186
Energy: 0.945191916528388
Energy: 1.0311066690166555
Energy: 0.9954619871011708
Energy: 0.9647960381926688
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Energy: 1.0311066690136055
Energy: 0.9561645277168644
Energy: 1.0109426375919275
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Energy: 0.9738270010851069
Energy: 0.9561645277168644
Energy: 1.0109426375919275
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Energy: 0.9601920273648245
Energy: 1.0055268500094696
Energy: 1.0543228167595933
Energy: 0.9634806676224542
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Energy: 1.0543228167626435
Energy: 0.9611780783104538
Energy: 0.9550837787806634
Energy: 1.025778102932009
Energy: 0.9852303607641862
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Energy: 0.9550837787806634
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Energy: 0.9688733551273133
Energy: 1.011967042419491
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Energy: 0.9667605240743061
Energy: 1.0121505478118187
Energy: 1.1221177887852989
Energy: 0.9757914751703077
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Energy: 1.0121505478118187
Energy: 1.1221177887822487
Energy: 0.9784785199678802
Energy: 0.9654576927010449
Energy: 1.0340057087083439
Energy: 1.0264123038753923
Energy: 0.9784785199678802
Energy: 0.9654576927040953
Energy: 1.0340057087083439
Energy: 1.0416802258413838
Energy: 0.9740393298964533
Energy: 1.0216738626422737
Energy: 0.9893212774668284
Energy: 1.0416802258413838
Energy: 0.9740393298934029
Energy: 1.0216738626483746
Energy: 1.0538400718181604
Energy: 1.0193904348951537
Energy: 1.085728009585737
Energy: 1.0178414441880554
Energy: 1.0538400718181604
Energy: 1.0193904348951537
Energy: 1.085728009585737
Energy: 1.0005798258063243
Energy: 1.003832869111457
Energy: 1.0918691628315098
Energy: 0.9733843302909452
Energy: 1.0005798258063243
Energy: 1.003832869111457
Energy: 1.0918691628315098
Energy: 0.945916285404363
Energy: 0.9893846467165507
Energy: 1.1201616920152229
Energy: 0.9749269100695742
Energy: 0.9459162854013127
Energy: 0.9893846467318023
Energy: 1.1201616920152229
Energy: 0.9622266179454868
Energy: 1.0003046417638901
Energy: 1.0437604088785384
Energy: 1.0327359375798875
Energy: 0.9622266179454868
Energy: 1.0003046417638901
Energy: 1.0437604088785384
Energy: 0.9885232089886734
Energy: 0.9840159224583489
Energy: 1.0050785885535616
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Energy: 0.9885232089886734
Energy: 0.9840159224583489
Energy: 1.005078588556612
Energy: 0.9711848695921939
Energy: 0.983731976257245
Energy: 1.0448357989781734
Energy: 0.9556614745761701
Energy: 0.9711848695921939
Energy: 0.9837319762541946
Energy: 1.0448357989812238
Energy: 0.9653292386905877
Energy: 0.9560631246401654
Energy: 1.0288388790580603
Energy: 0.9897758023919472
Energy: 0.9653292386905877
Energy: 0.9560631246401654
Energy: 1.0288388790580603
Energy: 0.9557947706553424
Energy: 0.955238663029467
Energy: 1.0451306476122466
Energy: 1.0000275256861177
Energy: 0.9557947706553424
Energy: 0.955238663029467
Energy: 1.0451306476122466
Energy: 0.974666801713716
Energy: 1.0105797393160598
Energy: 1.0967425735680203
Energy: 0.9708501782700476
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Energy: 1.0105797393160598
Energy: 1.0967425735680203
Energy: 0.9464201723020821
Energy: 0.9625794787066022
Energy: 1.0390220597809254
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Energy: 0.9464201723020821
Energy: 0.9625794787066022
Energy: 1.0390220597809254
Energy: 0.963321909002244
Energy: 0.9771596745239931
Energy: 1.0177008519017094
Energy: 0.9836929224177005
Energy: 0.963321909002244
Energy: 0.9771596745239931
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Energy: 0.9864780292172703
Energy: 1.0049326624050918
Energy: 1.0561928329337633
Energy: 0.9780133872965957
Energy: 0.9864780292172703
Energy: 1.0049326624050918
Energy: 1.0561928329337633
Energy: 1.005452332056161
Energy: 1.0048954407985082
Energy: 1.0829101176993035
Energy: 1.0377338543227914
Energy: 1.005452332056161
Energy: 1.0048954407985082
Energy: 1.0829101176993035
Energy: 1.0099149750916865
Energy: 0.9599448406922403
Energy: 1.0492250167574122
Energy: 1.0062282881019446
Energy: 1.0099149750916865
Energy: 0.9599448406922403
Energy: 1.0492250167574122
Energy: 1.0045447914891827
Energy: 0.975607331992124
Energy: 1.05048221473314
Energy: 0.9798177306943108
Energy: 1.0045447914891827
Energy: 0.975607331992124
Energy: 1.05048221473314
Energy: 1.0702674684244458
Energy: 0.9784166914740736
Energy: 1.0765918597412398
Energy: 1.0234209375838859
Energy: 1.0702674684244458
Energy: 0.9784166914710233
Energy: 1.0765918597412398
Energy: 1.003627037936918
Energy: 0.9940361260491134
Energy: 1.0686672220613471
Energy: 1.0087804154269846
Energy: 1.003627037936918
Energy: 0.9940361260491134
Energy: 1.0686672220613471
Energy: 0.9423084015438491
Energy: 0.9659975395234172
Energy: 1.0814303753457712
Energy: 0.9737770411499473
Energy: 0.9423084015438491
Energy: 0.9659975395234172
Energy: 1.0814303753457712
Energy: 0.9746760649722351
Energy: 0.9993546417825263
Energy: 1.0806485334139178
Energy: 1.029203187675053
Energy: 0.9746760649722351
Energy: 0.9993546417825263
Energy: 1.0806485334169684
Energy: 0.9488251464332709
Energy: 0.9935620042243949
Energy: 1.012081863839615
Energy: 0.9660872650358631
Energy: 0.9488251464332709
Energy: 0.9935620042243949
Energy: 1.0120818638365647

minimum gb energy = 0.9402004921642223 eV
minimum distance =  2.27791192618783 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.0095482500485262
Energy: 0.9709190336326435
Energy: 1.070403645892555
Energy: 0.9803001910916604
Energy: 1.0095482500489041
Energy: 0.9709190336330213
Energy: 1.0770161667156872
Energy: 0.9534401184748306
Energy: 1.0303710667586934
Energy: 1.0225939806230062
Energy: 0.9747816667288018
Energy: 0.9534401184748306
Energy: 1.030371066759071
Energy: 0.9938853031846517
Energy: 0.9529272042708015
Energy: 0.9746740820094765
Energy: 1.0603851883756805
Energy: 0.9764513827286381
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Energy: 0.9746740820098543
Energy: 1.0295021332325938
Energy: 0.9405111576532305
Energy: 0.9876177983513714
Energy: 1.0699667558757726
Energy: 0.9558867515735727
Energy: 0.9405111576532305
Energy: 0.9876177983513714
Energy: 1.0699667558761505
Energy: 0.9416469917670278
Energy: 0.9826345209060698
Energy: 1.0624152415469243
Energy: 0.9546976482869562
Energy: 0.9416469917670278
Energy: 0.9826345209057552
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Energy: 0.9672563402065639
Energy: 1.0025202099545054
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Energy: 1.0025202099548203
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Energy: 1.0332304475287142
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Energy: 0.9812103947366021
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Energy: 1.020617859972101
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Energy: 0.9704312202076293
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Energy: 1.0449228425848462
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Energy: 1.0076825755389047
Energy: 1.0449228425845314
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Energy: 0.9759139470887646
Energy: 1.0115904306926335
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Energy: 0.9759139470880721
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Energy: 0.9810752973080904
Energy: 1.0181834680903659
Energy: 0.9494439468887114
Energy: 0.9738879199540489
Energy: 0.9810752973077757
Energy: 1.0095482500482118
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Energy: 1.035996098108494
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Energy: 0.9534401184748306
Energy: 1.0303710667586934
Energy: 0.9648409736669195
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Energy: 0.964840973665912
Energy: 0.9529272042708015
Energy: 0.974674082010169
Energy: 1.0444139150625995
Energy: 0.9764513827290158
Energy: 0.9529272042694165
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Energy: 1.0444139150625995
Energy: 0.9405111576528526
Energy: 0.9876177983513714
Energy: 1.0590615883435606
Energy: 0.9558867515738875
Energy: 0.9405111576535452
Energy: 0.9876177983510567
Energy: 1.0681698256734362
Energy: 0.9416469917673426
Energy: 0.9826345209074548
Energy: 1.0503611340113415
Energy: 0.954697648285949
Energy: 0.9416469917673426
Energy: 0.9826345209081474
Energy: 1.0624152415465467
Energy: 0.9497217580351022
Energy: 0.9672563402076342
Energy: 1.0025202099548203
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Energy: 1.0025202099548203
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Energy: 1.0168960015935644
Energy: 0.9562147182444288
Energy: 0.9673957016852065
Energy: 0.9486106697850349
Energy: 0.9824154356018174
Energy: 0.9684768324589555
Energy: 0.956233098288091
Energy: 0.9911250440177752
Energy: 0.9542075151068641
Energy: 0.968476832459648
Energy: 0.9562330982877134
Energy: 0.991125044016768
Energy: 0.9473899898290713
Energy: 0.9551211157914189
Energy: 1.020617859972101
Energy: 0.9695521983543188
Energy: 0.9473899898290713
Energy: 0.9551211157886489
Energy: 1.0206178599714084
Energy: 0.9410660097146617
Energy: 0.995126448637215
Energy: 1.0353619318145164
Energy: 0.9704312202069368
Energy: 0.9410660097139693
Energy: 0.9951264486382853
Energy: 1.0353619318155236
Energy: 0.9478620968193968
Energy: 1.0061581412984395
Energy: 1.0449228425855386
Energy: 0.9704402643058385
Energy: 0.947862096819082
Energy: 1.0061581412991318
Energy: 1.044922842585224
Energy: 0.9503706452366333
Energy: 0.9759139470884497
Energy: 1.004467265537719
Energy: 0.9757403232198788
Energy: 0.9503706452370111
Energy: 0.9759139470880721
Energy: 1.0044672655384113
Energy: 0.9561952821811553
Energy: 0.9738879199533564
Energy: 0.9810752973084682
Energy: 1.0181834680903659
Energy: 0.9561952821807777
Energy: 0.9738879199547414
Energy: 0.9810752973098532
Energy: 0.9557285597550038
Energy: 0.9709190336316363
Energy: 1.0325687360406235
Energy: 0.9803001910916604
Energy: 0.9557285597546262
Energy: 0.9709190336316363
Energy: 1.0325687360410012
Energy: 0.9534401184752082
Energy: 1.0303710667583788
Energy: 0.9648409736662269
Energy: 0.981872118603851
Energy: 0.9534401184745157
Energy: 1.0303710667586934
Energy: 0.964840973665912

minimum gb energy = 0.9405111576528526 eV
minimum distance =  2.28745986616198 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.9907108559763421
Energy: 0.9297480992399126
Energy: 0.9916326172016866
Energy: 0.9303009061018254
Energy: 0.9907108559763421
Energy: 0.9297480992399126
Energy: 1.0684998041248677
Energy: 0.9939099837616564
Energy: 0.99484452832035
Energy: 0.9806590430890156
Energy: 0.962224455117606
Energy: 0.9939099837620563
Energy: 0.9948445283207497
Energy: 0.9806590430890156
Energy: 0.9658896209679827
Energy: 0.9874726936340273
Energy: 0.963347266089665
Energy: 0.9611191284176774
Energy: 0.9658896209683826
Energy: 0.9874726936340273
Energy: 0.998636418946554
Energy: 0.9578864776330668
Energy: 0.925890664128423
Energy: 0.9868113160167096
Energy: 0.9488455929982362
Energy: 0.9578864776330668
Energy: 0.925890664128423
Energy: 0.9868113160167096
Energy: 0.9883765193484522
Energy: 0.9344990640842553
Energy: 1.0279201307335808
Energy: 0.9749160100084845
Energy: 0.9883765193484522
Energy: 0.9344990640846551
Energy: 1.0279201307335808
Energy: 0.9659619004580684
Energy: 0.910826128856761
Energy: 1.009631004348113
Energy: 0.9571763203785033
Energy: 0.9659619004584683
Energy: 0.9108261288555615
Energy: 1.009631004347713
Energy: 0.9718326406279909
Energy: 1.0408651795878878
Energy: 1.0192742499495657
Energy: 0.9861429984142995
Energy: 0.9718326406279909
Energy: 1.040865179587088
Energy: 1.0216692200292428
Energy: 0.9688775776850841
Energy: 0.9338160539023594
Energy: 0.9845723472254029
Energy: 0.9554888656374504
Energy: 0.9688775776850841
Energy: 0.9338160539023594
Energy: 0.9845723472262025
Energy: 0.9622854542525746
Energy: 0.9271372595525122
Energy: 0.99590638293877
Energy: 0.947110456640719
Energy: 0.9622854542525746
Energy: 0.9271372595525122
Energy: 0.9959063829383701
Energy: 0.9477888688750091
Energy: 0.9973443757492386
Energy: 1.0562509260833095
Energy: 0.9819936890900993
Energy: 0.9477888688750091
Energy: 0.9973443757488387
Energy: 1.056250926083709
Energy: 1.0078192220429383
Energy: 0.9653647815625901
Energy: 1.0598656913856723
Energy: 0.9127979083082851
Energy: 1.0078192220433377
Energy: 0.9653647815621903
Energy: 1.0598656913852724
Energy: 0.9893127054478935
Energy: 0.9831014458735851
Energy: 0.9898100113200383
Energy: 0.9554663848587192
Energy: 0.9893127054478935
Energy: 0.9831014458735851
Energy: 0.9898100113192387
Energy: 0.9590832807639568
Energy: 0.9450300737316738
Energy: 0.9991395034491175
Energy: 0.9257079932207868
Energy: 0.9590832807639568
Energy: 0.9450300737316738
Energy: 0.9991395034487178
Energy: 0.927398816907484
Energy: 0.9701365222198318
Energy: 1.0149980671693912
Energy: 0.9781895902872191
Energy: 0.927398816907484
Energy: 0.9701365222198318
Energy: 1.0149980671693912
Energy: 0.9835366445544181
Energy: 0.9258235446738001
Energy: 1.0036403145990231
Energy: 0.9509256218752048
Energy: 0.9835366445544181
Energy: 0.9258235446734004
Energy: 1.0036403145990231
Energy: 0.9893852603206209
Energy: 0.9458513788164579
Energy: 1.0013798374831564
Energy: 0.9830477697308392
Energy: 0.9893852603206209
Energy: 0.945851378816058
Energy: 1.0013798374847558
Energy: 0.9895352593221158
Energy: 0.9128198729200913
Energy: 1.0172582366658012
Energy: 0.9680378419334137
Energy: 0.989535259321716
Energy: 0.9128198729204909
Energy: 1.0172582366662009
Energy: 0.9476726454889832
Energy: 0.9729227839904762
Energy: 0.986300551640176
Energy: 0.9969992516717134
Energy: 0.9476726454893831
Energy: 0.9729227839912756
Energy: 0.9863005516389767
Energy: 0.9623067264707609
Energy: 0.9335891920641172
Energy: 0.996123988605441
Energy: 0.9732792734179805
Energy: 0.9623067264707609
Energy: 0.9335891920637175
Energy: 0.9961239886050411
Energy: 0.968940747462134
Energy: 0.9265254600659069
Energy: 1.0356609314123775
Energy: 0.9504786776160579
Energy: 0.968940747462134
Energy: 0.9265254600663068
Energy: 1.0356609314127774
Energy: 0.9720620583050723
Energy: 0.9864032526225595
Energy: 1.0298754927523919
Energy: 0.9837172179359868
Energy: 0.9720620583050723
Energy: 0.9864032526225595
Energy: 1.0299062493337854
Energy: 0.9564088155087827
Energy: 0.9609124218203751
Energy: 1.0484327890062548
Energy: 0.9109626386375139
Energy: 0.9564088155087827
Energy: 0.9609124218203751
Energy: 1.0484327890058551
Energy: 0.9884641689187318
Energy: 0.9718262971605053
Energy: 1.02273035244514
Energy: 0.9347341551336447
Energy: 0.9884641689183319
Energy: 0.9718262971605053
Energy: 1.0227303524447402
Energy: 0.957640938167382
Energy: 0.9226016494158797
Energy: 0.9960785882729175
Energy: 0.9256006831616213
Energy: 0.957640938167382
Energy: 0.9226016494162794
Energy: 0.9960785882733171
Energy: 0.9581526572960304
Energy: 0.9569686890654425
Energy: 0.9870316089498739
Energy: 0.9650914604185498
Energy: 0.9581526572960304
Energy: 0.9569686890658422
Energy: 0.9771724895127878
Energy: 0.9539838342130205
Energy: 0.9670006628921094
Energy: 0.9970370037142354
Energy: 0.996169966573506
Energy: 0.9539838342134204
Energy: 0.9670006628921094
Energy: 0.9970370037146352
Energy: 0.9909133490141344
Energy: 0.9441439111214992
Energy: 1.0491253934083986
Energy: 0.9297217837021178
Energy: 0.9909133490145342
Energy: 0.9441439111210994
Energy: 1.0517391247981944
Energy: 1.0250220901566827
Energy: 1.0000194175589519
Energy: 0.9696309052173113
Energy: 0.9534786602302993
Energy: 1.0250220901566827
Energy: 1.0000194175589519
Energy: 0.9696309052173113
Energy: 0.9666727078532835
Energy: 0.9829545606923082
Energy: 0.9804018260759734
Energy: 0.9623544127970103
Energy: 0.9666727078540833
Energy: 0.9829545606923082
Energy: 1.0141743505264154
Energy: 0.9576561300093858
Energy: 0.9310401781906983
Energy: 0.9998732574814068
Energy: 0.954848268722802
Energy: 0.9576561300097857
Energy: 0.9310401781910982
Energy: 0.9998732574814068
Energy: 0.9755266348914335
Energy: 0.9342355615996305
Energy: 1.0341921696117424
Energy: 0.9741142455820627
Energy: 0.9755266348914335
Energy: 0.9342355615996305
Energy: 1.0354487814513027
Energy: 0.9571023606222976
Energy: 0.9109677104597871
Energy: 0.9588817491131658
Energy: 0.9416608989736036
Energy: 0.9571023606226973
Energy: 0.9109677104597871
Energy: 0.9588817491127659
Energy: 0.971266211562038
Energy: 1.0240349084883487
Energy: 1.0048592456436007
Energy: 0.9931407426204731
Energy: 0.971266211562038
Energy: 1.024034908487949
Energy: 0.9826800195183486
Energy: 0.9689511278201046
Energy: 0.9276950918316015
Energy: 1.0437533697561732
Energy: 0.9265870808836769
Energy: 0.9689511278201046
Energy: 0.9276950918316015
Energy: 1.0437533697565728
Energy: 0.9622852155022124
Energy: 0.9292616209223818
Energy: 0.996273217918496
Energy: 0.9280691216969374
Energy: 0.9622852155022124
Energy: 0.9292616209227815
Energy: 0.996273217918496
Energy: 0.9476625532541936
Energy: 0.9959375268967716
Energy: 1.0125378799453968
Energy: 1.0262231980411154
Energy: 0.9476625532545934
Energy: 0.9959375268967716
Energy: 1.0125378799461964

minimum gb energy = 0.9108261288555615 eV
minimum distance =  2.25603934049329 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.8881907537104811
Energy: 0.9772012100688439
Energy: 1.0384932995878218
Energy: 0.977232916835776
Energy: 0.8881907537104811
Energy: 0.9772012100693157
Energy: 1.0404792942599619
Energy: 0.8762165006540528
Energy: 0.9793615359445847
Energy: 0.9465039493672804
Energy: 0.9794891738183571
Energy: 0.8762165006535809
Energy: 0.9793615359450566
Energy: 0.9465039493672804
Energy: 0.8883470823578236
Energy: 0.8462562184995922
Energy: 0.9168392171807292
Energy: 0.9010078932982548
Energy: 0.8883470823578236
Energy: 0.8462562185000639
Energy: 0.9168392171812011
Energy: 0.8757472148402973
Energy: 0.9793399686818154
Energy: 0.9470692878183657
Energy: 0.9465820605572525
Energy: 0.8757472148398253
Energy: 0.9793399686818154
Energy: 0.9470692878183657
Energy: 0.965366361503674
Energy: 0.9118970099306833
Energy: 0.8984855737491948
Energy: 0.9008844888435277
Energy: 0.9653663615032023
Energy: 0.9118970099297397
Energy: 0.8984855737491948
Energy: 0.8761103215137822
Energy: 0.9173749446325555
Energy: 0.986334437755877
Energy: 0.9180669417192455
Energy: 0.8761103215142542
Energy: 0.9173749446330273
Energy: 0.9863344377544616
Energy: 1.0620051948843166
Energy: 0.9116297241222187
Energy: 0.9681977043052468
Energy: 0.9003761117872056
Energy: 1.0620051948838447
Energy: 0.9116297241222187
Energy: 0.9681977043052468
Energy: 0.8767073417373524
Energy: 0.8724506246721826
Energy: 1.086063632837493
Energy: 0.8719911741234339
Energy: 0.8767073417368806
Energy: 0.8724506246721826
Energy: 1.0860636328384368
Energy: 1.0620762936017016
Energy: 0.9001830804851391
Energy: 0.9801797347362444
Energy: 0.9114487332484561
Energy: 1.0620762936012296
Energy: 0.9001830804860828
Energy: 0.9897772530309334
Energy: 0.8761333696413126
Energy: 0.9182926459860693
Energy: 0.9862950659660863
Energy: 0.9179559961930016
Energy: 0.8761333696403689
Energy: 0.9182926459884285
Energy: 0.9862950659660863
Energy: 0.9653591851721597
Energy: 0.9010148975636414
Energy: 1.014991512367005
Energy: 0.9118427465961023
Energy: 0.9653591851721597
Energy: 0.9010148975631694
Energy: 1.014991512367005
Energy: 0.8759867231815684
Energy: 0.9467535652498829
Energy: 0.9470816125326053
Energy: 0.9796396815260352
Energy: 0.8759867231820404
Energy: 0.9467535652498829
Energy: 0.9470816125326053
Energy: 0.8880209693486645
Energy: 0.9010010831273195
Energy: 0.9449039403779644
Energy: 0.8462468044829804
Energy: 0.8880209693486645
Energy: 0.9010010831273195
Energy: 0.9449039403774925
Energy: 0.8763278185188713
Energy: 0.9794473469368383
Energy: 0.9463144940994728
Energy: 0.9789840312109891
Energy: 0.8763278185183994
Energy: 0.9794473469363664
Energy: 0.9463144940994728
Energy: 0.8881907537104811
Energy: 0.9772012100693157
Energy: 1.054138167569075
Energy: 0.9772329168353042
Energy: 0.8881907537109527
Energy: 0.9772012100688439
Energy: 1.054138167569075
Energy: 0.8762165006535809
Energy: 0.9793615359441129
Energy: 0.9465039493672804
Energy: 0.9794891738193007
Energy: 0.8762165006535809
Energy: 0.9793615359445847
Energy: 0.9465039493672804
Energy: 0.8883470823582953
Energy: 0.8462562184991202
Energy: 0.9521088550437896
Energy: 0.901007893297783
Energy: 0.8883470823578236
Energy: 0.8462562184995922
Energy: 0.9521088550433178
Energy: 0.8757472148402973
Energy: 0.9793399686822871
Energy: 0.9470692878183657
Energy: 0.9465820605572525
Energy: 0.8757472148398253
Energy: 0.9793399686813435
Energy: 0.9470692878183657
Energy: 0.9653663615027304
Energy: 0.9118970099283239
Energy: 0.9147326707290777
Energy: 0.9008844888425841
Energy: 0.9653663615060334
Energy: 0.9118970099283239
Energy: 0.9147326707276623
Energy: 0.8761103215142542
Energy: 0.9173749446325555
Energy: 0.9863344377544616
Energy: 0.9180669417192455
Energy: 0.876110321514726
Energy: 0.9173749446325555
Energy: 0.9863344377549333
Energy: 1.0620051948838447
Energy: 0.9116297241222187
Energy: 0.947412566724271
Energy: 0.9003761117867337
Energy: 1.0620051948838447
Energy: 0.9116297241222187
Energy: 0.947412566724271
Energy: 0.8767073417373524
Energy: 0.8724506246726544
Energy: 1.086063632837493
Energy: 0.8719911741234339
Energy: 0.8767073417373524
Energy: 0.8724506246726544
Energy: 1.086063632837493
Energy: 1.0620762936012296
Energy: 0.9001830804860828
Energy: 0.9204193896595955
Energy: 0.9114487332479843
Energy: 1.0620762936017016
Energy: 0.900183080485611
Energy: 0.9204193896600673
Energy: 0.8761333696413126
Energy: 0.9182926459917314
Energy: 0.9862950659660863
Energy: 0.9179559961930016
Energy: 0.8761333696417845
Energy: 0.9182926459917314
Energy: 0.986295065966558
Energy: 0.9653591851726314
Energy: 0.9010148975636414
Energy: 1.0474040860221665
Energy: 0.911842746597518
Energy: 0.9653591851726314
Energy: 0.9010148975636414
Energy: 1.009055440364718
Energy: 0.8759867231820404
Energy: 0.9467535652498829
Energy: 0.9470816125326053
Energy: 0.9796396815260352
Energy: 0.8759867231825121
Energy: 0.9467535652503546
Energy: 0.9470816125326053
Energy: 0.8880209693491362
Energy: 0.9010010831277913
Energy: 0.9420208749556872
Energy: 0.8462468044834522
Energy: 0.8880209693486645
Energy: 0.9010010831277913
Energy: 0.942020874956159
Energy: 0.8763278185183994
Energy: 0.9794473469363664
Energy: 0.9463144940994728
Energy: 0.9789840312109891
Energy: 0.8763278185183994
Energy: 0.9794473469363664
Energy: 0.9463144940994728
Energy: 0.8881907537109527
Energy: 0.9772012100679002
Energy: 1.0014428857009356
Energy: 0.9772329168371917
Energy: 0.8881907537109527
Energy: 0.9772012100683721
Energy: 1.0014428857009356
Energy: 0.8762165006540528
Energy: 0.9793615359441129
Energy: 0.9465039493672804
Energy: 0.979489173818829
Energy: 0.8762165006535809
Energy: 0.9793615359445847
Energy: 0.9465039493672804

minimum gb energy = 0.8462468044829804 eV
minimum distance =  2.304131078967 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.9662674425988727
Energy: 1.0463564566609442
Energy: 1.1879414008920666
Energy: 1.0448690913916505
Energy: 0.9662674425988727
Energy: 1.0463564566609442
Energy: 0.9622135848801396
Energy: 0.9767072205796924
Energy: 0.9124573298699417
Energy: 1.0008806112557131
Energy: 0.9123194579900606
Energy: 0.9767072205796924
Energy: 0.9124573298699417
Energy: 1.0008806112557131
Energy: 0.9664546431403123
Energy: 0.9206097581977731
Energy: 0.9560917421099017
Energy: 0.9930055826884551
Energy: 0.9664546431403123
Energy: 0.9206097581977731
Energy: 0.992663000386085
Energy: 0.9524206766698262
Energy: 0.9485849319131532
Energy: 0.9319608718123059
Energy: 0.9095157225258358
Energy: 0.9524206766698262
Energy: 0.9485849319125804
Energy: 0.931960871811733
Energy: 0.9281398601443125
Energy: 0.9341269456641814
Energy: 0.911951440330995
Energy: 0.9514498529294262
Energy: 0.9281398601443125
Energy: 0.9341269456641814
Energy: 0.9119514403304222
Energy: 0.9524279583509314
Energy: 0.9444830151171848
Energy: 1.023075718212019
Energy: 0.9138994816065036
Energy: 0.9524279583509314
Energy: 0.9444830151177576
Energy: 1.0230757182114463
Energy: 0.9581888785469106
Energy: 0.9379704829722536
Energy: 0.9120251463901505
Energy: 0.9393088094462468
Energy: 0.9581888785469106
Energy: 0.9379704829722536
Energy: 0.9120251463907233
Energy: 0.9501649289441583
Energy: 0.9845794478119114
Energy: 0.9478603139343902
Energy: 0.9138207665935462
Energy: 0.9501649289441583
Energy: 0.9845794478119114
Energy: 0.9478603139338172
Energy: 0.958165689003344
Energy: 0.9131514196190804
Energy: 0.9249176548514434
Energy: 0.9646405961867518
Energy: 0.958165689003344
Energy: 0.9131514196190804
Energy: 0.928887451821272
Energy: 0.9391576021829986
Energy: 0.9422483665890103
Energy: 0.9320995289775423
Energy: 0.912839932701048
Energy: 0.9391576021829986
Energy: 0.9422483665890103
Energy: 0.9320995289775423
Energy: 0.9680538541174195
Energy: 0.9221033333969877
Energy: 0.9255799278920542
Energy: 0.9518055084047442
Energy: 0.9680538541174195
Energy: 0.922103333395842
Energy: 0.9255799278920542
Energy: 0.8777365722917972
Energy: 0.963206022448825
Energy: 0.9244037353558732
Energy: 0.9005468361933139
Energy: 0.8777365722917972
Energy: 0.9632060224493978
Energy: 0.9244037353558732
Energy: 0.9676559428435961
Energy: 0.9203272840882222
Energy: 0.9527716002342635
Energy: 0.9489433044427891
Energy: 0.9676559428441689
Energy: 0.9203272840882222
Energy: 0.9527716002342635
Energy: 0.8775296254273255
Energy: 0.9639344925213172
Energy: 0.9482255134620365
Energy: 0.9277283429490972
Energy: 0.8775296254273255
Energy: 0.9639344925207444
Energy: 0.9482255134620365
Energy: 0.9777481211075921
Energy: 0.8942621668958208
Energy: 1.0244697686734316
Energy: 0.9275346923125951
Energy: 0.9777481211075921
Energy: 0.8942621668963936
Energy: 0.9306063634441765
Energy: 0.8777299605311012
Energy: 0.9968149610660542
Energy: 0.9246334162530139
Energy: 0.9268311803142918
Energy: 0.8777299605311012
Energy: 0.9968149610666269
Energy: 0.9246334162530139
Energy: 0.9768208281221759
Energy: 0.8939277728955128
Energy: 0.9609154019246845
Energy: 0.9273395757397401
Energy: 0.9768208281227487
Energy: 0.8939277728955128
Energy: 0.9609154019246845
Energy: 0.8777383454522748
Energy: 0.928282819900361
Energy: 0.9300080543138162
Energy: 0.9808302095639728
Energy: 0.8777383454528476
Energy: 0.928282819900361
Energy: 0.9300080543138162
Energy: 0.9666638508912263
Energy: 0.895963360582258
Energy: 1.0130253797261173
Energy: 0.9090896265713336
Energy: 0.9666638508912263
Energy: 0.895963360582258
Energy: 1.0130253797261173
Energy: 0.8775598471540091
Energy: 0.9863859396938137
Energy: 0.9185802397186524
Energy: 0.9863800894806432
Energy: 0.8775598471540091
Energy: 0.9863859396943865
Energy: 0.9185802397186524
Energy: 0.9666729074951128
Energy: 0.9095554550837323
Energy: 1.012829796406565
Energy: 0.8958937473758386
Energy: 0.9666729074951128
Energy: 0.909555455084305
Energy: 1.0128297964077106
Energy: 0.8777371373283407
Energy: 0.9808651254393763
Energy: 0.9300231391113427
Energy: 0.9282934134732942
Energy: 0.8777371373283407
Energy: 0.9808651254399491
Energy: 0.9300231391119156
Energy: 0.9767323672419687
Energy: 0.9273212562962637
Energy: 0.9610078612691106
Energy: 0.8939589573618769
Energy: 0.9767323672419687
Energy: 0.9273212562962637
Energy: 0.9610078612691106
Energy: 0.8777432106902904
Energy: 0.9266884933452971
Energy: 0.9246993269887204
Energy: 0.9968452448592039
Energy: 0.8777432106902904
Energy: 0.9266884933452971
Energy: 0.924699326989866
Energy: 0.9771669398552334
Energy: 0.9275436883878849
Energy: 1.0244445005208713
Energy: 0.894223155601554
Energy: 0.9771669398552334
Energy: 0.9275436883878849
Energy: 1.0244445005208713

minimum gb energy = 0.8775296254273255 eV
minimum distance =  2.27445512150126 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.9703239636896387
Energy: 1.0316488140734892
Energy: 0.89084262962242
Energy: 1.0317634312993262
Energy: 0.9703239636896387
Energy: 1.0316488140734892
Energy: 0.8984064525462876
Energy: 0.9990051822509906
Energy: 0.996340389533095
Energy: 0.999276830745764
Energy: 0.970306778424046
Energy: 0.9990051822509906
Energy: 0.996340389533095
Energy: 0.999276830745764
Energy: 0.9730250539020274
Energy: 0.9759545809360589
Energy: 0.9239332190097432
Energy: 0.9829345898642272
Energy: 0.9730250539020274
Energy: 0.9759545809360589
Energy: 0.937786883615044
Energy: 0.9219453089286186
Energy: 1.0051314574762593
Energy: 1.0193234903148234
Energy: 0.9710354709728107
Energy: 0.9219453089286186
Energy: 1.0051314574762593
Energy: 1.0193234903148234
Energy: 1.0026674857024056
Energy: 0.9328144801112104
Energy: 0.9285277732253189
Energy: 0.9396969200115376
Energy: 1.0026674857024056
Energy: 0.9328144801112104
Energy: 0.9285277732253189
Energy: 0.9198729267569643
Energy: 0.9349655279214504
Energy: 0.9755572689249382
Energy: 0.935428127074212
Energy: 0.9198729267569643
Energy: 0.9349655279214504
Energy: 0.9755572689217414
Energy: 0.9148647756361468
Energy: 0.9386590345950722
Energy: 0.9433115865781894
Energy: 0.925218920612448
Energy: 0.9148647756361468
Energy: 0.9386590345950722
Energy: 0.9433115865781894
Energy: 0.9219980249219891
Energy: 0.9620658966197487
Energy: 1.0120771927715575
Energy: 0.9113806130608502
Energy: 0.9219980249219891
Energy: 0.962065896616552
Energy: 1.0120771927715575
Energy: 0.9133362365994788
Energy: 0.940604975258394
Energy: 0.919490318172382
Energy: 0.9198947612991242
Energy: 0.9133362365994788
Energy: 0.940604975258394
Energy: 0.919490318172382
Energy: 0.8970899026147269
Energy: 0.9627109365802816
Energy: 0.9855856510276662
Energy: 0.9418899184970467
Energy: 0.8970899026147269
Energy: 0.9627109365802816
Energy: 0.9855856510276662
Energy: 0.9138411756116197
Energy: 0.9789135617510812
Energy: 1.0244022647000277
Energy: 0.9200661700091062
Energy: 0.9138411756116197
Energy: 0.9789135617510812
Energy: 1.0244022647000277
Energy: 0.8974640586957501
Energy: 0.9581693017550112
Energy: 1.0820770084951992
Energy: 0.9611218493598015
Energy: 0.8974640586925532
Energy: 0.9581693017550112
Energy: 1.0820770084951992
Energy: 0.958686885686521
Energy: 0.9678024969345695
Energy: 1.0215454111364317
Energy: 0.9577793564398117
Energy: 0.958686885686521
Energy: 0.9678024969345695
Energy: 1.0411623505485144
Energy: 0.9808359366734632
Energy: 1.0447481619306818
Energy: 1.081960543555261
Energy: 0.9772166458567135
Energy: 0.9808359366702666
Energy: 1.0447481619306818
Energy: 1.081960543555261
Energy: 0.9590084930942642
Energy: 1.0032020475256285
Energy: 1.064097830211553
Energy: 1.0133927630309423
Energy: 0.9590084930942642
Energy: 1.0032020475256285
Energy: 1.064097830211553
Energy: 0.9809050607902112
Energy: 0.953806979697652
Energy: 1.0077601405734227
Energy: 0.961275023296302
Energy: 0.9809050607902112
Energy: 0.953806979697652
Energy: 1.0077601405734227
Energy: 1.0169064223994027
Energy: 0.9684122878618052
Energy: 1.0735300412307498
Energy: 0.9577093583843658
Energy: 1.0169064223994027
Energy: 0.9684122878618052
Energy: 1.073530041243479
Energy: 0.8989569441885275
Energy: 0.9561929416279269
Energy: 0.97815387643978
Energy: 0.9210962926690909
Energy: 0.8989569441885275
Energy: 0.9561929416279269
Energy: 0.9781538764429768
Energy: 1.0162444545312175
Energy: 0.9550310661018335
Energy: 0.9748788405127661
Energy: 0.9823207324955656
Energy: 1.0162444545312175
Energy: 0.9550310661018335
Energy: 0.9748788405127661
Energy: 0.9364130121469765
Energy: 0.9681240418879702
Energy: 0.9442812923371899
Energy: 0.9173959870451766
Energy: 0.9364130121469765
Energy: 0.9681240418847732
Energy: 0.9442812923403868
Energy: 0.973573111480978
Energy: 0.9246144609539843
Energy: 0.9884246887018598
Energy: 0.9978809353271921
Energy: 0.973573111480978
Energy: 0.9246144609539843
Energy: 0.9884246887018598
Energy: 0.9434176465387609
Energy: 0.9204305448229002
Energy: 0.9296889883444005
Energy: 0.9301836942249326
Energy: 0.9434176465355643
Energy: 0.920430544826097
Energy: 0.9296889883475973
Energy: 0.9743965617486913
Energy: 0.9110047357297446
Energy: 1.029775569353927
Energy: 0.9954597069209082
Energy: 0.9743965617486913
Energy: 0.9110047357297446
Energy: 1.029775569353927
Energy: 0.9294614113747527
Energy: 0.9402608669568706
Energy: 0.9238265787471224
Energy: 0.9208371125857971
Energy: 0.9294614113747527
Energy: 0.9402608669568706
Energy: 0.9238265787471224
Energy: 0.9229996040420462
Energy: 0.9900568572755207
Energy: 1.0756200900928483
Energy: 1.0143289828903699
Energy: 0.9229996040420462
Energy: 0.9900568572755207
Energy: 1.0756200900928483
Energy: 0.9442426917626079
Energy: 0.9656423243683082
Energy: 1.0273662599102185
Energy: 0.9753856404864039
Energy: 0.9442426917626079
Energy: 0.9656423243651115
Energy: 1.027366259913415
Energy: 0.9986354658277987
Energy: 0.9957941585068909
Energy: 0.9911290946088012
Energy: 0.9930030489336612
Energy: 0.9986354658277987
Energy: 0.9957941585068909
Energy: 0.9911290946088012
Energy: 0.9515525022784689
Energy: 1.0050005786163305
Energy: 1.027300078902551
Energy: 1.0118703957098967
Energy: 0.9515525022784689
Energy: 1.0050005786195275
Energy: 1.027300078902551
Energy: 0.9986395789314543
Energy: 0.9773700156440557
Energy: 1.0197497047252988
Energy: 0.9971395027497343
Energy: 0.9986395789314543
Energy: 0.9773700156440557
Energy: 1.0197497047252988
Energy: 0.9429299553058996
Energy: 0.9595528034725991
Energy: 0.99753659569782
Energy: 1.0025543412669944
Energy: 0.9429299553058996
Energy: 0.9595528034725991
Energy: 0.99753659569782
Energy: 0.9253586230886092
Energy: 0.956666908673636
Energy: 1.0511522813834377
Energy: 0.9622282538892343
Energy: 0.9253586230886092
Energy: 0.956666908673636
Energy: 1.0511522813834377
Energy: 0.9479515340883528
Energy: 0.929663705331544
Energy: 0.9871739157040573
Energy: 0.9682750050390038
Energy: 0.9479515340883528
Energy: 0.929663705331544
Energy: 0.9871739157040573
Energy: 0.9245088868482836
Energy: 0.9337259193645592
Energy: 1.0259884113990394
Energy: 0.9620899549225197
Energy: 0.9245088868482836
Energy: 0.9337259193645592
Energy: 1.0259884113958428
Energy: 0.9195020999843017
Energy: 0.9298101070102807
Energy: 0.9425921940029875
Energy: 0.9299350629288092
Energy: 0.9195020999843017
Energy: 0.9298101070102807
Energy: 0.9425921940029875
Energy: 0.9307966475982214
Energy: 0.8892101075003922
Energy: 1.0366743282370958
Energy: 0.9623153011181679
Energy: 0.9307966475982214
Energy: 0.8892101075003922
Energy: 1.0366743282402926
Energy: 0.919791706295105
Energy: 0.9420428043748043
Energy: 0.944530202601731
Energy: 0.9245393621395808
Energy: 0.919791706295105
Energy: 0.9420428043748043
Energy: 0.944530202601731
Energy: 0.919152341960715
Energy: 0.9231265084224126
Energy: 1.0063162977802764
Energy: 0.9575957271703806
Energy: 0.919152341960715
Energy: 0.9231265084224126
Energy: 1.0063162977802764
Energy: 0.9229942412138677
Energy: 0.9034275292840156
Energy: 0.9547121931420247
Energy: 0.9239756525093682
Energy: 0.9229942412138677
Energy: 0.9034275292840156
Energy: 0.9547121931452215
Energy: 0.9207471417460419
Energy: 0.9305068783235301
Energy: 1.0899661174160902
Energy: 0.9601905646327932
Energy: 0.9207471417460419
Energy: 0.9305068783235301
Energy: 1.0899661174160902
Energy: 0.9233029033180038
Energy: 0.9625150307340341
Energy: 0.9550501548788377
Energy: 0.946999164451244
Energy: 0.9233029033180038
Energy: 0.9625150307340341
Energy: 0.9550501548788377
Energy: 0.9650767954100757
Energy: 0.9288327331830748
Energy: 1.0899821984851366
Energy: 0.9727299579233729
Energy: 0.9650767954100757
Energy: 0.9288327331830748
Energy: 1.0899821984851366
Energy: 0.923335528327259
Energy: 1.0049287098902764
Energy: 1.096911012830547
Energy: 1.0118515326760347
Energy: 0.9233355283304558
Energy: 1.0049287098902764
Energy: 1.096911012830547
Energy: 0.9603301621084755
Energy: 0.9132789300037459
Energy: 0.9774573783664435
Energy: 0.9229911412234939
Energy: 0.9603301621084755
Energy: 0.9132789300037459
Energy: 0.9774573783632468
Energy: 0.9499064647749892
Energy: 0.9780641339775688
Energy: 1.0973119878269821
Energy: 0.9626856752983345
Energy: 0.9499064647749892
Energy: 0.9780641339775688
Energy: 1.0973119878269821
Energy: 0.9137198843847449
Energy: 0.9264930531435062
Energy: 1.0068473823692659
Energy: 0.9757301913756946
Energy: 0.9137198843847449
Energy: 0.9264930531435062
Energy: 1.006847382366069

minimum gb energy = 0.8892101075003922 eV
minimum distance =  2.25086384616928 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.0572411696825417
Energy: 0.7653340207669015
Energy: 1.0885637057475894
Energy: 0.7653340207661807
Energy: 1.0572411696818538
Energy: 0.7653340207669015
Energy: 1.1434221041331305
Energy: 1.0572411696818538
Energy: 0.7653340207661807
Energy: 1.105341882823359
Energy: 0.7653340207669015
Energy: 1.0572411696825417
Energy: 0.7653340207669015
Energy: 1.105341882822638
Energy: 1.0572411696818538
Energy: 0.7653340207661807
Energy: 0.9361660022158306
Energy: 0.7653340207661807
Energy: 1.0572411696818538
Energy: 0.7653340207661807
Energy: 1.0493676115000432
Energy: 1.0572411696818538
Energy: 0.7653340207669015
Energy: 0.9358542813453636
Energy: 0.7653340207661807
Energy: 1.0572411696818538
Energy: 0.7653340207661807
Energy: 0.923556922554658
Energy: 1.0572411696818538
Energy: 0.7653340207669015
Energy: 1.0772284075828737
Energy: 0.7653340207661807
Energy: 1.0572411696818538
Energy: 0.7653340207669015
Energy: 1.0772284075900815
Energy: 1.0572411696825417
Energy: 0.7653340207661807
Energy: 0.9217566361289852
Energy: 0.7653340207661807
Energy: 1.0572411696825417
Energy: 0.7653340207661807
Energy: 0.8088454238812807
Energy: 1.0572411696818538
Energy: 0.7653340207661807
Energy: 0.8933229381685988
Energy: 0.7653340207661807
Energy: 1.0572411696818538
Energy: 0.7653340207669015
Energy: 0.8483925171037547
Energy: 1.0572411696825417
Energy: 0.7653340207669015
Energy: 0.9070720678331793
Energy: 0.7653340207676222
Energy: 1.0572411696825417
Energy: 0.76533402076546
Energy: 0.9070720618491989
Energy: 1.0572411696818538
Energy: 0.7653340207661807
Energy: 0.8619446723492405
Energy: 0.7653340207669015
Energy: 1.0572411696825417
Energy: 0.7653340207669015
Energy: 0.9315428667821565
Energy: 1.0572411696818538
Energy: 0.7653340207669015
Energy: 0.8608931254085511
Energy: 0.7653340207669015
Energy: 1.057241169681133
Energy: 0.7653340207661807
Energy: 0.7854962830807678
Energy: 1.0572411696818538
Energy: 0.7653340207661807
Energy: 0.9239102859253003
Energy: 0.7653340207669015
Energy: 1.0572411696818538
Energy: 0.7653340207661807
Energy: 0.9239102859281834
Energy: 1.0572411696825417
Energy: 0.7653340207661807
Energy: 0.9105085976612459
Energy: 0.7653340207661807
Energy: 1.0572411696818538
Energy: 0.7653340207661807
Energy: 0.9105085976619667
Energy: 1.0572411696825417
Energy: 0.7653340207669015
Energy: 0.770377489756497
Energy: 0.7653340207661807
Energy: 1.0572411696818538
Energy: 0.7653340207661807
Energy: 0.7703774912470945
Energy: 1.0572411696825417
Energy: 0.7653340207661807
Energy: 0.8776815283903111
Energy: 0.7653340207669015
Energy: 1.0572411696832626
Energy: 0.7653340207669015
Energy: 0.877681528426349
Energy: 1.0572411696818538
Energy: 0.7653340207669015
Energy: 0.8776815283117808
Energy: 0.7653340207669015
Energy: 1.0572411696818538
Energy: 0.7653340207669015
Energy: 0.8776815283838242
Energy: 1.0572411696825417
Energy: 0.7653340207669015
Energy: 0.8776815283903111
Energy: 0.7653340207661807
Energy: 1.0572411696818538
Energy: 0.7653340207669015
Energy: 0.8776815284126546
Energy: 1.0572411696818538
Energy: 0.7653340207669015
Energy: 0.8776815284393227
Energy: 0.7653340207669015
Energy: 1.0572411696818538
Energy: 0.7653340207669015
Energy: 0.8776815283672794
Energy: 1.0572411696825417
Energy: 0.76533402076546
Energy: 0.8776815283687209
Energy: 0.7653340207661807
Energy: 1.0572411696818538
Energy: 0.7653340207661807
Energy: 0.877681528338449
Energy: 1.0572411696818538
Energy: 0.7653340207661807
Energy: 0.8776815283967978
Energy: 0.7653340207661807
Energy: 1.0572411696818538
Energy: 0.7653340207669015
Energy: 0.877681528371604
Energy: 1.0572411696825417
Energy: 0.7653340207669015
Energy: 0.8776815284321151
Energy: 0.7653340207669015
Energy: 1.0572411696825417
Energy: 0.7653340207661807
Energy: 0.877681528375175

minimum gb energy = 0.76533402076546 eV
minimum distance =  2.38617181176062 Angstroms
sigma value = 23