Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
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=2.850998893380165
cohesive_energy=4.280334775369924
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=[1.9511627484178798e-19, 2.7688175718134397e-19, 3.39272117485938e-19, 3.8998741665857396e-19, 4.3254923894078394e-19, 4.689410790054599e-19, 5.00430258570096e-19, 5.27883555193686e-19, 5.51930624293392e-19, 5.73048914506146e-19, 5.916037221044999e-19, 6.07891449765744e-19, 6.22150821808344e-19, 6.3458211031155e-19, 6.45351941645298e-19, 6.5460130735338e-19, 6.624519728599799e-19, 6.690112839995759e-19, 6.743705648403059e-19, 6.786115263905041e-19, 6.81807868775334e-19, 6.840204747068879e-19, 6.85311829073892e-19, 6.85731599352e-19, 6.852717746580419e-19, 6.837449003258399e-19, 6.80889821564052e-19, 6.763748878094398e-19, 6.69794748373602e-19, 6.60630298027122e-19, 6.48229450879962e-19, 6.31760677259076e-19, 6.10160131879488e-19, 5.820595558957619e-19, 5.4567732889089e-19, 4.98682283862402e-19, 4.37991832966482e-19, 3.59494790960286e-19, 2.5763320710046797e-19, 1.248188524130772e-19, -4.9476015546237e-20, -2.8005246474003e-19, -5.88123794455452e-19, -1.004680106235648e-18, -1.576142865874134e-18, -2.3742014668592397e-18, -3.51259603061526e-18, -5.1769050744817796e-18, -7.67857571434206e-18, -1.155573101625768e-17, -1.77618903821874e-17, -2.79927494962578e-17, -4.507756003291679e-17, -7.23651915925512e-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: 0.013271401968150963
Energy: 0.01366225549608239
Energy: 1.4487501527742523
Energy: 0.8622961602603416
Energy: 0.01366225549608239
Energy: 0.23870038718771477
Energy: 0.862070215440783
Energy: 0.23870038718771477
Energy: 1.448750152775233
Energy: 0.8620702154417914
Energy: 0.9165766234214829
Energy: 0.8620702154417914
Energy: 0.86229616026135
Energy: 0.23870038718771477
Energy: 0.862070215440783
Energy: 0.23870038718771477

minimum gb energy = 0.013271401968150963 eV
minimum distance =  2.42672139240875 Angstroms
sigma value = 1


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

Energy: 1.5848155101548818
Energy: 0.7761743349458642
Energy: 0.7857778469262193
Energy: 0.6394882203917686
Energy: 1.4257148034351517
Energy: 0.6402945247610426
Energy: 0.6406096208613749
Energy: 0.6402945247622657
Energy: 1.4289566513533347
Energy: 0.640805739113098
Energy: 0.6401808717753982
Energy: 0.640805739113098
Energy: 1.4277703983692425
Energy: 0.6395495535615742
Energy: 0.6397296644163819
Energy: 0.6395495535627972
Energy: 1.446438477847229
Energy: 0.8052521934655722
Energy: 1.0285008126072186
Energy: 0.8052521934655722
Energy: 1.4273405951195708
Energy: 0.6403295437353405
Energy: 0.9219984634184715
Energy: 0.6403295437243335
Energy: 1.484208052381755
Energy: 0.6396383531225137
Energy: 0.9385541820332728
Energy: 0.6396383531225137
Energy: 1.2036030979230303
Energy: 0.6399479721491547
Energy: 0.9390423115280575
Energy: 0.6399479721491547
Energy: 1.1893125615355646
Energy: 0.7129134530100899
Energy: 1.292442112037589
Energy: 0.7129134530100899
Energy: 1.208677932979962
Energy: 0.7133120468735141
Energy: 1.2067532425594316
Energy: 0.7133120468747371
Energy: 1.2048296922040649
Energy: 0.6394615765874113
Energy: 1.1399121983774938
Energy: 0.6394615765812963
Energy: 0.9331385419672268
Energy: 0.712513043769181
Energy: 1.2031904772123871
Energy: 0.712513043769181
Energy: 0.9540862444982339
Energy: 0.7421928604571434
Energy: 1.3039441591208312
Energy: 0.7421928729860229
Energy: 0.9249796292931924
Energy: 0.6397107814136948
Energy: 1.427907452512193
Energy: 0.6397107814136948
Energy: 0.9828148503964942
Energy: 0.6406774218223314
Energy: 1.263027915962332
Energy: 0.6406774218211084
Energy: 0.6409660066537701
Energy: 0.6406563048000941
Energy: 1.4210403699518623
Energy: 0.6406563048000941
Energy: 0.6397440538820995
Energy: 0.6398027254761833
Energy: 1.4285296986014775
Energy: 0.6398027254761833
Energy: 0.6388823712509474
Energy: 0.6614470617914983
Energy: 1.4252659453151482
Energy: 0.6614470617914983
Energy: 0.6398901994348286
Energy: 0.6397609889315906
Energy: 1.3377163762344066
Energy: 0.6397609889315906
Energy: 0.7338113744572227
Energy: 0.6402037416284507
Energy: 1.4244637880751514
Energy: 0.6402037416284507
Energy: 0.743906301591187
Energy: 0.6398350572925595
Energy: 1.4271695926446593
Energy: 0.6398350572925595
Energy: 0.7449694200463862
Energy: 0.6397802095622818
Energy: 1.3437334964803733
Energy: 0.6397802095622818
Energy: 0.7569820749663518
Energy: 0.6404561730828224
Energy: 1.2028872023102886
Energy: 0.6404561730815994
Energy: 1.0898258591277212
Energy: 0.63979665043209
Energy: 1.3439450353305806
Energy: 0.6397966504296441
Energy: 1.088345968572422
Energy: 0.6393553268727493
Energy: 1.344134581046945
Energy: 0.6393553268641884
Energy: 1.079382782894824
Energy: 0.6409544624989937
Energy: 1.084181321570132
Energy: 0.6409544625002167
Energy: 1.0839507390043859
Energy: 0.8070213805263324
Energy: 1.0859036930100237
Energy: 0.8070213805483464
Energy: 1.34429677470786
Energy: 0.6414851279706968
Energy: 1.0841620839584278
Energy: 0.6414851279719197
Energy: 1.2633359561956115
Energy: 0.6402827822371212
Energy: 1.0872421659210167
Energy: 0.6402827822371212
Energy: 1.2625363354101469
Energy: 0.6395722348410313
Energy: 0.7451242952265885
Energy: 0.6395722348398083
Energy: 1.343712951315838
Energy: 0.7411426373814624
Energy: 0.7398083828110872
Energy: 0.7411426373814624
Energy: 1.4253866199074654
Energy: 0.6397566544828398
Energy: 0.7659406330313255
Energy: 0.6397566544828398
Energy: 1.413396883066104
Energy: 0.6403775469636059
Energy: 0.7327973721045187
Energy: 0.6403775469636059

minimum gb energy = 0.6388823712509474 eV
minimum distance =  2.36557109911777 Angstroms
sigma value = 1


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

Energy: 1.8489041161165003
Energy: 0.8492115179703142
Energy: 0.9981037269921894
Energy: 0.6552181577299647
Energy: 1.3640446490275082
Energy: 0.655249277050994
Energy: 0.655347615442559
Energy: 0.655249277050994
Energy: 1.3805942796145683
Energy: 0.6562322691915179
Energy: 0.6542101733779618
Energy: 0.6562322691901235
Energy: 1.380224450497467
Energy: 0.6554418499616175
Energy: 0.655315318492373
Energy: 0.6554418499616175
Energy: 1.218673676796061
Energy: 0.9981453651997678
Energy: 0.998571372248871
Energy: 0.9981453651133452
Energy: 1.3820159890821295
Energy: 0.6556707517062683
Energy: 0.8732243811176367
Energy: 0.6556707517062683
Energy: 1.38081337320901
Energy: 0.6554399760889151
Energy: 0.8791205701485938
Energy: 0.6554399760944928
Energy: 1.2340668467837344
Energy: 0.7471475670690665
Energy: 0.892779855384424
Energy: 0.7471475670732497
Energy: 1.2214480012073015
Energy: 0.7473066395410894
Energy: 1.2455826209107117
Energy: 0.7473066395480616
Energy: 1.2337159289857231
Energy: 0.7473643874738393
Energy: 1.2212733062956558
Energy: 0.7473643874738393
Energy: 1.2887862596738244
Energy: 0.6567679991040698
Energy: 1.0675663581278747
Energy: 0.6567679991068586
Energy: 0.8784720299872426
Energy: 0.7472458957402235
Energy: 1.0679311478181355
Energy: 0.7472458957402235
Energy: 0.8799819458258731
Energy: 0.7477801208918673
Energy: 1.4144334677668466
Energy: 0.7477801208960506
Energy: 0.8604164458177114
Energy: 0.6565192262211673
Energy: 1.3797911405354975
Energy: 0.6565192262197729
Energy: 0.8747757041349895
Energy: 0.6569498662606551
Energy: 1.3632554400320585
Energy: 0.6569498662564719
Energy: 0.6554347368279573
Energy: 0.655168289689781
Energy: 1.3630759387476088
Energy: 0.6551682896883866
Energy: 0.6550201146479586
Energy: 0.6559870277158723
Energy: 1.3794851919119144
Energy: 0.6559870277158723
Energy: 0.654854527497827
Energy: 0.6560570623587687
Energy: 1.3805059331576277
Energy: 0.6560570623573744
Energy: 0.6550949477524541
Energy: 0.6574271268930518
Energy: 1.4804128385539346
Energy: 0.6574271268902631
Energy: 0.874733898300004
Energy: 0.6554779147530867
Energy: 1.3802122778661245
Energy: 0.6554779147530867
Energy: 0.8767950674971761
Energy: 0.6555309083424092
Energy: 1.3823097673727938
Energy: 0.6555309083424092
Energy: 0.8772187022793754
Energy: 0.7478658171430793
Energy: 1.2335487923474335
Energy: 0.7478658171444736
Energy: 0.8915127044629763
Energy: 0.6562364966178813
Energy: 1.221235737838821
Energy: 0.6562364966123037
Energy: 1.2204873449718567
Energy: 0.7480438742999785
Energy: 1.2339358527056914
Energy: 0.7480438742999785
Energy: 1.067571318344768
Energy: 0.7476295620911798
Energy: 1.2206034946158524
Energy: 0.7476295620883912
Energy: 1.0656648892940443
Energy: 0.7473817129585525
Energy: 0.8788832110325999
Energy: 0.7473817129613413
Energy: 1.2214839239630184
Energy: 0.6551919985491672
Energy: 0.8792916330731918
Energy: 0.6551919985463782
Energy: 1.3825139588045443
Energy: 0.65618689397364
Energy: 0.8617771926346145
Energy: 0.6561868939722456
Energy: 1.362705019726067
Energy: 0.6560964988022491
Energy: 0.8747223453727737
Energy: 0.6560964988078267

minimum gb energy = 0.6542101733779618 eV
minimum distance =  2.37468295035827 Angstroms
sigma value = 25


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

Energy: 1.4931485224778103
Energy: 0.7270592350357425
Energy: 0.8851909810287306
Energy: 0.7537139424187412
Energy: 1.3053594231828973
Energy: 0.7049071811924503
Energy: 0.7046701225921308
Energy: 0.7049071811908294
Energy: 1.3243003431794702
Energy: 0.7051230534651908
Energy: 0.7041917328096907
Energy: 0.7051230534651908
Energy: 1.3253863135341406
Energy: 0.7045642363427577
Energy: 0.7060209067705479
Energy: 0.7045642363443786
Energy: 1.2484455590380743
Energy: 0.7056730781552014
Energy: 1.010459831332244
Energy: 0.7056730781535805
Energy: 1.3250797985194236
Energy: 0.7051953813411318
Energy: 1.0408698178100133
Energy: 0.7051953813378898
Energy: 1.3241880685351068
Energy: 0.8143309502516775
Energy: 1.0822251388242907
Energy: 0.8143309502516775
Energy: 1.0878709569542768
Energy: 0.8005144060659295
Energy: 1.0787656834409378
Energy: 0.8005144060659295
Energy: 1.0807501058962132
Energy: 0.8007172221532566
Energy: 1.0747952984430915
Energy: 0.8007172221564985
Energy: 1.041842686586684
Energy: 0.720860939085801
Energy: 1.3251851326290935
Energy: 0.720860939085801
Energy: 1.0420415333866107
Energy: 0.7056791965522766
Energy: 1.332294549459469
Energy: 0.7056791965522766
Energy: 0.7058639258957099
Energy: 0.7049418537499909
Energy: 1.3324892614973805
Energy: 0.7049418537499909
Energy: 0.7032345132210321
Energy: 0.7049809623822912
Energy: 1.3248458706475266
Energy: 0.7049809623839122
Energy: 0.7398371561310291
Energy: 0.7453060151419927
Energy: 1.3259574852456986
Energy: 0.7453060151419927
Energy: 0.7032881086251721
Energy: 0.7214736787716637
Energy: 1.2466030235639876
Energy: 0.7214736787732846
Energy: 0.8112365118062075
Energy: 0.7048382856574855
Energy: 1.3878246274161772
Energy: 0.7048382856574855
Energy: 0.8506677225711988
Energy: 0.705345084625463
Energy: 1.325195534220711
Energy: 0.705345084625463
Energy: 0.8514728389098264
Energy: 0.7053294323167955
Energy: 1.2526080117508602
Energy: 0.7053294323184164
Energy: 0.853795693070486
Energy: 0.7059846330239048
Energy: 1.077708387720055
Energy: 0.7059846330239048
Energy: 1.252567245698086
Energy: 0.8132138318120075
Energy: 1.2531808241276825
Energy: 0.8132138318103865
Energy: 1.1671150434232147
Energy: 0.706124936305175
Energy: 1.2531231825593434
Energy: 0.7061249363035541
Energy: 1.1691244984407907
Energy: 0.7053310311224963
Energy: 0.8519409359079944
Energy: 0.7053310311208753
Energy: 1.253388351908379
Energy: 0.7061993986322161
Energy: 0.8567789417061323
Energy: 0.7061993986095222
Energy: 1.3250419737892185
Energy: 0.7052076729456749
Energy: 0.8984371827648082
Energy: 0.7052076729472958
Energy: 1.3278100961437875
Energy: 0.7215507216884205
Energy: 0.8126769574027253
Energy: 0.7215507216868363

minimum gb energy = 0.7032345132210321 eV
minimum distance =  2.36820787632753 Angstroms
sigma value = 9


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

Energy: 1.612533459910182
Energy: 0.9648390007084143
Energy: 0.734716232260235
Energy: 0.732355812352586
Energy: 1.237083530225414
Energy: 0.7357011640101775
Energy: 0.7358743120824046
Energy: 0.7357011640200439
Energy: 1.2776759044806607
Energy: 0.7378263028490181
Energy: 0.7360461475321649
Energy: 0.7378263028484248
Energy: 1.2743227980225134
Energy: 0.7383433724196261
Energy: 0.7390319524548036
Energy: 0.7383433724198238
Energy: 1.0203909655023453
Energy: 0.7898844178073833
Energy: 0.9898211190305614
Energy: 0.7898844178066141
Energy: 1.2770379648756727
Energy: 0.735686670229991
Energy: 0.9954923649088592
Energy: 0.735686670224959
Energy: 1.2770287670862492
Energy: 0.9127188420336106
Energy: 0.7143924692270556
Energy: 0.9127188420353466
Energy: 1.073785544376493
Energy: 0.869988268766085
Energy: 1.0379525844144677
Energy: 0.8699882687656896
Energy: 1.0390392566172908
Energy: 0.913186938112273
Energy: 1.2786257989340042
Energy: 0.9131869381093725
Energy: 0.9949162690867146
Energy: 0.7379779385205448
Energy: 1.2779046755214385
Energy: 0.73797793852305
Energy: 0.9938542341753716
Energy: 0.7883010005269183
Energy: 1.2390391815814839
Energy: 0.7883010005278851
Energy: 0.7338886948129986
Energy: 0.7343105709060209
Energy: 1.2382058814587387
Energy: 0.7343105709071636
Energy: 0.7874746852207052
Energy: 0.7381418182011529
Energy: 1.2771324706835936
Energy: 0.7381418182017463
Energy: 0.7399674936909942
Energy: 0.7908716520158834
Energy: 1.277488114085985
Energy: 0.7908716520184105
Energy: 0.7381132705248818
Energy: 0.7891365634793721
Energy: 1.020002112871208
Energy: 0.7891365634820748
Energy: 0.9935552503393013
Energy: 0.8192542773944204
Energy: 1.277327395970986
Energy: 0.8192542773944204
Energy: 0.714392857558842
Energy: 0.8716505804150072
Energy: 1.2776462234508719
Energy: 0.8716505804163477
Energy: 0.7147585144768068
Energy: 0.8715192201079605
Energy: 1.0745163001319578
Energy: 0.8715192201093228
Energy: 0.9951378564339228
Energy: 0.9126059280410813
Energy: 1.0381249304674494
Energy: 0.9126059280447509
Energy: 1.2782562278182616
Energy: 0.913251571000071
Energy: 1.079849032121455
Energy: 0.9132515709971705
Energy: 1.2387242955882842
Energy: 0.7380030048792313
Energy: 0.9901652169770789
Energy: 0.7380030048792313

minimum gb energy = 0.7143924692270556 eV
minimum distance =  2.38835992455597 Angstroms
sigma value = 25


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

Energy: 1.2106780247344062
Energy: 0.8678235764361342
Energy: 0.9020905543720336
Energy: 0.8798578946460238
Energy: 1.0830571878251818
Energy: 0.9230949371838074
Energy: 0.9228192595385251
Energy: 0.9230949371835628
Energy: 1.123526483689928
Energy: 0.8476578074968931
Energy: 0.8752609317562173
Energy: 0.8476578075007248
Energy: 1.1262955197377154
Energy: 0.8509046983425078
Energy: 0.9031274997309175
Energy: 0.850904698342997
Energy: 1.0258772827670284
Energy: 0.8949465774462769
Energy: 1.0786249587278398
Energy: 0.8949465774455703
Energy: 1.1259631834708692
Energy: 0.9255178432858383
Energy: 1.0792225933937605
Energy: 0.9255178432860829
Energy: 1.077392409346278
Energy: 0.8549592376029285
Energy: 1.1264823320934056
Energy: 0.8549592376048307
Energy: 0.8773956946140251
Energy: 0.8489726995886945
Energy: 1.1268681996073986
Energy: 0.848972699583178
Energy: 0.8714056418531639
Energy: 0.84866086189926
Energy: 1.1238913848953225
Energy: 0.8486608619009448
Energy: 0.9339683067122792
Energy: 0.9252223797525873
Energy: 1.1253822636888027
Energy: 0.9252223797528318
Energy: 0.8829953811496835
Energy: 0.8725153968105418
Energy: 1.119599148915909
Energy: 0.8725153968117374
Energy: 1.0072508515979708
Energy: 0.880349489367692
Energy: 1.1198874601957716
Energy: 0.880349489367692
Energy: 1.0508567450664734
Energy: 0.8501630924062148
Energy: 1.1250854459719974
Energy: 0.85016309240453
Energy: 1.0272377182069696
Energy: 0.9902352859306988
Energy: 1.0578237842193885
Energy: 0.9902352859302096
Energy: 1.0569379474560245
Energy: 0.9903166125955831
Energy: 1.0299008422545817
Energy: 0.9903166125941701
Energy: 1.1243230171217313
Energy: 0.8499388679947939
Energy: 1.0584373348731548
Energy: 0.8499388679950385
Energy: 1.0833597866885663
Energy: 0.8480046509529475
Energy: 1.0007134066266108
Energy: 0.8480046509639262

minimum gb energy = 0.8476578074968931 eV
minimum distance =  2.33227265976157 Angstroms
sigma value = 17


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

Energy: 1.7193279047758445
Energy: 0.9336290346785476
Energy: 0.9605608814479915
Energy: 0.9570063836706676
Energy: 1.090573817573465
Energy: 1.0062496321899994
Energy: 1.0168737717367176
Energy: 1.0062496321913539
Energy: 1.1166156808584902
Energy: 0.9501601171662508
Energy: 0.9922497524109894
Energy: 0.9501601171662508
Energy: 1.1596119642357563
Energy: 0.9529728468317692
Energy: 0.9924425050130316
Energy: 0.9529728468304148
Energy: 1.094563643766719
Energy: 0.9912468885361817
Energy: 1.0946988458746574
Energy: 0.9912468885375362
Energy: 1.1174128563056986
Energy: 0.9146456488878438
Energy: 1.1091388748770952
Energy: 0.9146456488864895
Energy: 1.03274362556635
Energy: 0.9141235895547722
Energy: 1.2113848910194558
Energy: 0.9141235895520634
Energy: 0.9478350583386079
Energy: 0.94922418874209
Energy: 1.1102841588418706
Energy: 0.9492241887407358
Energy: 0.9586032453180351
Energy: 0.913144732571233
Energy: 1.108526769401528
Energy: 0.913144732571233
Energy: 0.9471686599867561
Energy: 0.949600139931847
Energy: 1.1127376038244805
Energy: 0.9496001399304925
Energy: 0.9500212987717642
Energy: 0.9257825773695911
Energy: 1.0879549722542297
Energy: 0.9257825773682367
Energy: 1.0810967111355847
Energy: 0.927288133716176
Energy: 1.1115872171755068
Energy: 0.927288133716176
Energy: 1.2282779501266108
Energy: 0.9224305856142173
Energy: 1.0809381950056094
Energy: 0.9224305856142173
Energy: 1.0953099860807702
Energy: 0.9145504253376985
Energy: 0.9379395013402865
Energy: 0.914550425336344
Energy: 1.1118812551906465
Energy: 0.9145212905994825
Energy: 0.9403468306764375
Energy: 0.9145212906008368
Energy: 1.1137225995902822
Energy: 0.9137334551252895
Energy: 0.9610030331394989
Energy: 0.9137334551252895
Energy: 1.1020342260416947
Energy: 0.9126720448169681
Energy: 0.9261929205039782
Energy: 0.9126720448169681
Energy: 1.1739709733875452
Energy: 0.9131886729837685
Energy: 1.0332721242974399
Energy: 0.9131886729851229
Energy: 1.1126279602889415
Energy: 0.9153107589073703
Energy: 1.111931332894913
Energy: 0.9153107589100792
Energy: 1.0042344774597363
Energy: 0.992811717281449
Energy: 1.084946110215605
Energy: 0.9928117172800945
Energy: 0.9729501688840482
Energy: 0.9608368328128077
Energy: 1.112597000456723
Energy: 0.9608368328128077
Energy: 0.9963077613161061
Energy: 0.9508184968894386
Energy: 1.1187866085590368
Energy: 0.9508184968894386
Energy: 1.0114945824746135
Energy: 1.005986521294279
Energy: 1.1020984711396595
Energy: 1.005986521294279
Energy: 0.9991084887970304
Energy: 0.9507192039927693
Energy: 1.1004543043018882
Energy: 0.9507192039927693
Energy: 1.1149172818033675
Energy: 0.9626300194509927
Energy: 1.0951329317500191
Energy: 0.9626300194523469
Energy: 1.043622138193345
Energy: 0.9503667099186568
Energy: 1.116349362387538
Energy: 0.9503667099213655
Energy: 1.0558924947668384
Energy: 1.0682325830311736
Energy: 1.0550747988234466
Energy: 1.0682325830311736
Energy: 1.1187659568934054
Energy: 0.9500698153468329
Energy: 1.053557761239099
Energy: 0.9500698153454786
Energy: 1.1112338178126964
Energy: 0.9771412620839329
Energy: 1.1537590838030642
Energy: 0.9771412620839329
Energy: 1.103828203257062
Energy: 0.949753884552369
Energy: 1.019491206666512
Energy: 0.9497538845510147

minimum gb energy = 0.9126720448169681 eV
minimum distance =  2.3356951097886 Angstroms
sigma value = 53


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

Energy: 0.9482250797829215
Energy: 0.9537146776863784
Energy: 1.0277375132426747
Energy: 1.0406929601505128
Energy: 1.0357142617705903
Energy: 1.0486393750167733
Energy: 1.033009976204041
Energy: 1.0486393750133363
Energy: 1.000119890871371
Energy: 1.045330200720568
Energy: 1.0528805310466356
Energy: 1.045330200722446
Energy: 0.994243643676302
Energy: 1.0417906436494686
Energy: 1.0732933660897668
Energy: 1.0417906436469528
Energy: 0.9980963465373801
Energy: 1.0487431870411703
Energy: 1.069938548559562
Energy: 1.0487431870408515
Energy: 0.9965288748930837
Energy: 1.0549452084437871
Energy: 1.0820452551001678
Energy: 1.054945208444425
Energy: 1.084743544113156
Energy: 1.046393315531284
Energy: 0.9547984521181575
Energy: 1.046393315527528
Energy: 1.0374811304170681
Energy: 1.047393058677617
Energy: 1.0309895159592781
Energy: 1.0473930586772981
Energy: 1.037969019757414
Energy: 1.04604718143003
Energy: 1.1204885284914532
Energy: 1.0460471814303136
Energy: 1.0725167512027491
Energy: 1.0558161814335636
Energy: 1.0042978461274148
Energy: 1.0558161814351226
Energy: 1.0698031503681131
Energy: 1.050478830803256
Energy: 0.9984102574641125
Energy: 1.0504788308054527
Energy: 1.0977942444034703
Energy: 1.0379821367787554
Energy: 0.9969339008814302
Energy: 1.0379821366603057
Energy: 1.029102800518131
Energy: 1.0453417365770048
Energy: 1.0057789391804601
Energy: 1.0453417365863589

minimum gb energy = 0.9482250797829215 eV
minimum distance =  2.3470984179079 Angstroms
sigma value = 9


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

Energy: 1.530260188892608
Energy: 1.113795496851571
Energy: 1.1400979966838352
Energy: 1.1213150635620726
Energy: 1.1985486758351704
Energy: 1.1462709375639877
Energy: 1.1838314769109561
Energy: 1.1462709375639877
Energy: 1.156252700516849
Energy: 1.1448145653618214
Energy: 1.1294394097552045
Energy: 1.1448145653606672
Energy: 1.1288064597987273
Energy: 1.1372211173915818
Energy: 1.1185961153683008
Energy: 1.1372211173915818
Energy: 1.1058411931907304
Energy: 1.1374759782295176
Energy: 1.1439747949031092
Energy: 1.1374759782283634
Energy: 1.1663115975845397
Energy: 1.0862192471994927
Energy: 1.1798156319817987
Energy: 1.0862192471983387
Energy: 1.172446129870585
Energy: 1.1738463291839498
Energy: 1.2728515747986282
Energy: 1.1738463291839498
Energy: 1.2470010925882298
Energy: 1.194021117941313
Energy: 1.2726119297660052
Energy: 1.194021117941313
Energy: 1.1965230492147123
Energy: 1.061379532007184
Energy: 1.18095015345825
Energy: 1.0613795320141082
Energy: 1.1238890813964577
Energy: 1.0598169884161366
Energy: 1.0924720704301107
Energy: 1.0598169884149826
Energy: 1.1914571430155538
Energy: 1.0564389415015234
Energy: 1.0521708834048071
Energy: 1.0564389414922912
Energy: 1.224263515861649
Energy: 1.083539206218831
Energy: 1.08020172574302
Energy: 1.083539206218831
Energy: 1.2750504917794436
Energy: 1.1222733787574413
Energy: 1.1220288948384376
Energy: 1.1222733787562875
Energy: 1.2752652638288846
Energy: 1.117872769515962
Energy: 1.2538971995997912
Energy: 1.117872769513654
Energy: 1.216112514148213
Energy: 1.0527359441521469
Energy: 1.267229464731638
Energy: 1.052735944150993
Energy: 1.23849737908339
Energy: 1.0526466454953312
Energy: 1.2171339275005277
Energy: 1.052646645497639
Energy: 1.07100763596111
Energy: 1.0490237106475948
Energy: 1.236224365446935
Energy: 1.0490237106464408
Energy: 1.049336171031625
Energy: 1.0541308265215543
Energy: 1.2874711292982017
Energy: 1.0541308265192464
Energy: 1.0644680096529204
Energy: 1.072813818173916
Energy: 1.290695810913704
Energy: 1.072813818173916
Energy: 1.1700033021729983
Energy: 1.0568578559714008
Energy: 1.4368234011755574
Energy: 1.0568578559702468
Energy: 1.2282108118514279
Energy: 1.0597431195394988
Energy: 1.2897796000323152
Energy: 1.0597431195337288
Energy: 1.2598973477165865
Energy: 1.0679178506473372
Energy: 1.2378780225246788
Energy: 1.0679178506484914
Energy: 1.260212372647019
Energy: 1.0699000525901972
Energy: 1.0687431041734532
Energy: 1.0699000525913513
Energy: 1.3083261309882759
Energy: 1.0575609850714571
Energy: 1.0590006521333284
Energy: 1.0575609850714571
Energy: 1.259012914371559
Energy: 1.0640609678551707
Energy: 1.0484791767042563
Energy: 1.0640609678551707
Energy: 1.1704875383272064
Energy: 1.0492213842207938
Energy: 1.0736633752633282
Energy: 1.0492213842219478
Energy: 1.237217693361822
Energy: 1.0509191241791696
Energy: 1.2253341687923676
Energy: 1.0509191241791696
Energy: 1.2508522804621023
Energy: 1.1205953209574835
Energy: 1.2280650085655944
Energy: 1.1205953209586375
Energy: 1.125519939561232
Energy: 1.084678438905258
Energy: 1.2585788153579982
Energy: 1.0846784389041038
Energy: 1.1201876650155187
Energy: 1.1198795220822493
Energy: 1.2153783621676355
Energy: 1.1198795222391456
Energy: 1.0734625700908176
Energy: 1.0680143906222128
Energy: 1.2210404560953503
Energy: 1.0680143906222128
Energy: 1.0879496279460428
Energy: 1.059902737010595
Energy: 1.1797031396710824
Energy: 1.0599027370117489
Energy: 1.192128592672462
Energy: 1.0603055468970568
Energy: 1.18047736695086
Energy: 1.0603055468970568
Energy: 1.161001024373622
Energy: 1.0574251894138011
Energy: 1.2278590101690308
Energy: 1.0574251893757178
Energy: 1.256254193977985
Energy: 1.1753413741505365
Energy: 1.219615736770729
Energy: 1.1753413741516905

minimum gb energy = 1.0484791767042563 eV
minimum distance =  2.31536900431796 Angstroms
sigma value = 73


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

Energy: 1.471523723114083
Energy: 1.126119055424942
Energy: 1.1428182449032602
Energy: 1.1262329185319753
Energy: 1.240158780807348
Energy: 1.1584344652433136
Energy: 1.155791088168068
Energy: 1.1584344652585232
Energy: 1.1328390857140482
Energy: 1.1381898548147587
Energy: 1.1222961410433023
Energy: 1.1381898548134686
Energy: 1.1271384788729943
Energy: 1.135425176070118
Energy: 1.12173699226513
Energy: 1.1354251760668306
Energy: 1.1063647629455444
Energy: 1.132572249731245
Energy: 1.1315112575984678
Energy: 1.132572249731245
Energy: 1.158178623413615
Energy: 1.149393130727182
Energy: 1.1779208064531832
Energy: 1.1493931307273693
Energy: 1.1740594837224225
Energy: 1.1754711848850674
Energy: 1.2601804909390053
Energy: 1.175471184885629
Energy: 1.2379066786217476
Energy: 1.1457080022605182
Energy: 1.2593866452611349
Energy: 1.1457080022603519
Energy: 1.236219791871635
Energy: 1.0402797086490312
Energy: 1.177893422222104
Energy: 1.0402797086462847
Energy: 1.1323129962637772
Energy: 1.0367481638085891
Energy: 1.0869178983173144
Energy: 1.0367481638120637
Energy: 1.2273607067373764
Energy: 1.0671177450599205
Energy: 1.0312825523657332
Energy: 1.067117745042547
Energy: 1.3358227445776205
Energy: 1.0756369248224509
Energy: 1.0754321196006815
Energy: 1.0756369248217224
Energy: 1.2158923651876397
Energy: 1.0783645036405225
Energy: 1.0810122039647516
Energy: 1.0783645036403353
Energy: 1.2146245198287386
Energy: 1.0776945287924675
Energy: 1.2530072355408353
Energy: 1.0776945287924675
Energy: 1.2720099759523968
Energy: 1.157773831413624
Energy: 1.274203497025281
Energy: 1.1577738314132704
Energy: 1.254155543244589
Energy: 1.0717568700988538
Energy: 1.2654325976600365
Energy: 1.0717568700975846
Energy: 1.0773502756396167
Energy: 1.073013961492561
Energy: 1.2708411289995973
Energy: 1.07301396149331
Energy: 1.0747829252205434
Energy: 1.0765325807312858
Energy: 1.2231758736971348
Energy: 1.0765325807316395
Energy: 1.054877378575595
Energy: 1.0381137196225674
Energy: 1.2335866028839668
Energy: 1.0381137196225674
Energy: 1.1687684688242517
Energy: 1.0362106397471034
Energy: 1.217581076648176
Energy: 1.0362106397772937
Energy: 1.1787893809865013
Energy: 1.0398417620783786
Energy: 1.2278158774086223
Energy: 1.0398417620765479
Energy: 1.2887616493654175
Energy: 1.160631073867899
Energy: 1.2384694469572208
Energy: 1.1606310738669836

minimum gb energy = 1.0312825523657332 eV
minimum distance =  2.32046032378006 Angstroms
sigma value = 7


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

Energy: 1.7058389738471604
Energy: 1.1284485405662112
Energy: 1.1456691835525985
Energy: 1.1289990329079724
Energy: 1.298893315464414
Energy: 1.1261191039007141
Energy: 1.1456505374914423
Energy: 1.1261191039007141
Energy: 1.1204014799166782
Energy: 1.0895172542534448
Energy: 1.111086722978578
Energy: 1.0895172542521503
Energy: 1.1105541734972957
Energy: 1.086642515395581
Energy: 1.1081441785775399
Energy: 1.086642515395581
Energy: 1.110261018024926
Energy: 1.1062629999818652
Energy: 1.120833447305776
Energy: 1.1062629999818652
Energy: 1.1387901507777494
Energy: 1.123424019293774
Energy: 1.2115356093946559
Energy: 1.123424019293774
Energy: 1.176204858342032
Energy: 1.1444282555506544
Energy: 1.2322503043036106
Energy: 1.1444282555506544
Energy: 1.2768289765124685
Energy: 1.1477668851203824
Energy: 1.2367946472052387
Energy: 1.1477668851190876
Energy: 1.240297121999612
Energy: 1.0617732149606003
Energy: 1.2128374680040421
Energy: 1.0617732149606003
Energy: 1.1407909220003316
Energy: 1.0617293467579552
Energy: 1.0939874274028665
Energy: 1.0617293467916171
Energy: 1.2529718303100652
Energy: 1.071720338381707
Energy: 1.0516886715662184
Energy: 1.071720338377823
Energy: 1.2099940852371698
Energy: 1.0650483398083799
Energy: 1.087055176103168
Energy: 1.0650483398083799
Energy: 1.241999599057064
Energy: 1.0606345973583575
Energy: 1.0873128535205046
Energy: 1.0606345973583575
Energy: 1.2426637955713284
Energy: 1.061458176663021
Energy: 1.2102814301816356
Energy: 1.061458176663021
Energy: 1.2513679728165557
Energy: 1.1248310162802293
Energy: 1.2120490789339278
Energy: 1.1248310162789343
Energy: 1.2842428655174714
Energy: 1.178592620774215
Energy: 1.300777170642754
Energy: 1.1785926207716257
Energy: 1.1775714205088257
Energy: 1.1286611433670883
Energy: 1.298180091509354
Energy: 1.1286611433670883
Energy: 1.1158235185089906
Energy: 1.0918178272293684
Energy: 1.1216795027762179
Energy: 1.0918178272280736
Energy: 1.081367744718311
Energy: 1.100313232417594
Energy: 1.1174543820130753
Energy: 1.1003132324162994
Energy: 1.1223662452272087
Energy: 1.112987082867575
Energy: 1.0872393840895829
Energy: 1.112987082867575
Energy: 1.2118551248432328
Energy: 1.121434597664199
Energy: 1.11964253044493
Energy: 1.1214345976654938
Energy: 1.2328486529215463
Energy: 1.1800420842079005
Energy: 1.1805511219096478
Energy: 1.1800420842079005
Energy: 1.2326126857771729
Energy: 1.1803347992977726
Energy: 1.283487010671849
Energy: 1.1803347992977726
Energy: 1.2098274314545778
Energy: 1.0692137474515915
Energy: 1.2521996624615415
Energy: 1.0692137474515915
Energy: 1.2064544195772546
Energy: 1.0599557013968173
Energy: 1.138919539336291
Energy: 1.0599557013994068
Energy: 1.0546885419193293
Energy: 1.0584098548698004
Energy: 1.1332951692471254
Energy: 1.0584098548710952
Energy: 1.0862137256255575
Energy: 1.04276458763018
Energy: 1.2044516410642603
Energy: 1.0427645876237066
Energy: 1.083840522443905
Energy: 1.0585333112755033
Energy: 1.240750482763728
Energy: 1.058533311276798
Energy: 1.2075610019713439
Energy: 1.0634958746931815
Energy: 1.2427023460001647
Energy: 1.0634958746918868
Energy: 1.2128857124890864
Energy: 1.058841976420473
Energy: 1.2526990402665574
Energy: 1.0588419764217676
Energy: 1.2993723188956372
Energy: 1.1373370147540598
Energy: 1.2829625614393925
Energy: 1.1373370147437025

minimum gb energy = 1.0427645876237066 eV
minimum distance =  2.30298802897161 Angstroms
sigma value = 29


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

Energy: 1.1657843565544623
Energy: 1.0275785033944158
Energy: 1.0152643278467304
Energy: 1.0809266711342722
Energy: 1.0766800207310587
Energy: 1.0079033575996532
Energy: 1.0128371115700543
Energy: 1.0079033575996532
Energy: 1.1248445129610012
Energy: 1.0066891446812638
Energy: 1.014858143696287
Energy: 1.00668914468169
Energy: 1.0142294731532073
Energy: 1.0045986914418559
Energy: 0.8952515546406813
Energy: 1.0045986914365694
Energy: 1.0119632447418634
Energy: 1.0065576290476927
Energy: 1.0217270619847474
Energy: 1.006557629046816
Energy: 1.008401232000998
Energy: 1.0078339047015312
Energy: 1.0827032147191902
Energy: 1.007833904700629
Energy: 1.0704805242676152
Energy: 1.0691619548757312
Energy: 0.9847510425354088
Energy: 1.0691619548805915
Energy: 1.1423540177434417
Energy: 1.0150044563098544
Energy: 1.0851087221090836
Energy: 1.0150044563935858
Energy: 1.0760294487586934
Energy: 1.009486787135129
Energy: 1.083885092955457
Energy: 1.009486787134703

minimum gb energy = 0.8952515546406813 eV
minimum distance =  2.36300868084194 Angstroms
sigma value = 5


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

Energy: 1.1866166703990912
Energy: 1.1822512961245908
Energy: 1.4141427857064193
Energy: 1.1663018761730415
Energy: 1.1273490749855433
Energy: 1.03860340749867
Energy: 1.139433231276464
Energy: 1.03860340749867
Energy: 0.9429753640841657
Energy: 0.9415983113961766
Energy: 1.1157951943691788
Energy: 0.9415983113973996
Energy: 0.9415561833685989
Energy: 0.9420261373429161
Energy: 1.0762851950127743
Energy: 0.9420261373441391
Energy: 0.9432588414809382
Energy: 0.9428557099037613
Energy: 1.1211414178339556
Energy: 0.9428557099037613
Energy: 0.9581844780453489
Energy: 1.0235682114588371
Energy: 1.058086498250502
Energy: 1.0235682114576143
Energy: 0.9572122847260487
Energy: 1.078726976945669
Energy: 1.0460606787409317
Energy: 1.078726976945669
Energy: 0.9644275156651925
Energy: 1.0250370620350517
Energy: 1.0410981901656948
Energy: 1.0250370620362745
Energy: 1.1826526624925007
Energy: 1.014483308940443
Energy: 1.0763458139732962
Energy: 1.014483308940443
Energy: 1.1114898578067591
Energy: 1.104403728634079
Energy: 1.1812497260183588
Energy: 1.104403728634079
Energy: 1.104845804122648
Energy: 1.0766938536263975
Energy: 1.198482772199561
Energy: 1.0766938536276205
Energy: 1.1796510729915142
Energy: 0.9976678638860004
Energy: 1.1456286814459729
Energy: 0.9976678638872234
Energy: 1.1006154447027376
Energy: 1.0387585537457933
Energy: 1.1461424190928393
Energy: 1.0387585537555772
Energy: 1.0733223204671873
Energy: 1.0290367148388107
Energy: 0.9638275284015688
Energy: 1.0290367148388107
Energy: 1.0455283906425779
Energy: 1.0300529854518214
Energy: 0.9636718392418918
Energy: 1.0300529854530442
Energy: 1.0459340380613784
Energy: 1.0239074273278608
Energy: 0.9579344831164964
Energy: 1.0239074273278608
Energy: 1.099637485852222
Energy: 0.9636205792497523
Energy: 0.9657888432623108
Energy: 0.9636205792497523
Energy: 1.1134564581321325
Energy: 0.9407481591769912
Energy: 0.9371447502751892
Energy: 0.9407481591782142
Energy: 1.1193348532497516
Energy: 1.0166066243152394
Energy: 0.9425154330925578
Energy: 1.0166066243152394
Energy: 1.1170980424922061
Energy: 0.9411816504300252
Energy: 0.9473439774788331
Energy: 0.9411816504300252
Energy: 1.1378038377798887
Energy: 1.0647311491507077
Energy: 1.1907302009845375
Energy: 1.0647311491482616
Energy: 1.2562490409581242
Energy: 1.0630951743110675
Energy: 1.1879779994313902
Energy: 1.0630951743184056
Energy: 1.2071401155681176
Energy: 0.9360731859485292
Energy: 1.0586764339700654
Energy: 0.9360731859485292
Energy: 1.153345073426667
Energy: 0.9819449207262619
Energy: 1.0233665325619752
Energy: 0.9819449207262619
Energy: 1.152231179181403
Energy: 0.933487530413866
Energy: 0.9781575349228723
Energy: 0.933487530413866
Energy: 1.0262984801094108
Energy: 1.056155528974366
Energy: 0.9853515539509355
Energy: 1.056155528975589
Energy: 0.9905256750770866
Energy: 1.0836536051989216
Energy: 0.9939123775532476
Energy: 1.0836536051989216
Energy: 0.992548556652791
Energy: 1.083951847790767
Energy: 0.992966183067121
Energy: 1.083951847789544
Energy: 0.9953576429997877
Energy: 0.9353948332149469
Energy: 1.0267185652647317
Energy: 0.9353948332149469
Energy: 0.978786829776743
Energy: 0.9793930557030833
Energy: 1.1124659651661892
Energy: 0.9793930557018603
Energy: 1.0374151832444396
Energy: 0.9807411443454396
Energy: 1.112985288618685
Energy: 0.9807411443442166
Energy: 0.9459291334380838
Energy: 0.9368189785966138
Energy: 1.2054108643475823
Energy: 0.9368189785953908
Energy: 1.2324538903634308
Energy: 1.1811450081488655
Energy: 1.2584578686176298
Energy: 1.1811450081476425

minimum gb energy = 0.933487530413866 eV
minimum distance =  2.32083445406982 Angstroms
sigma value = 1


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

Energy: 1.372038578978331
Energy: 0.9901278587495937
Energy: 1.0016945232182342
Energy: 1.000845163511847
Energy: 1.1022403774671117
Energy: 0.986543184895097
Energy: 0.9130615919735846
Energy: 0.986543184893406
Energy: 0.9121502792081206
Energy: 0.993597475146718
Energy: 1.0277001748578871
Energy: 0.993597475148409
Energy: 0.9042531756974472
Energy: 0.9755256078794008
Energy: 0.9165732677086788
Energy: 0.9755256078794008
Energy: 0.9065806184720963
Energy: 0.979765110784799
Energy: 0.9865187082468594
Energy: 0.97976511078649
Energy: 0.9046671541392874
Energy: 0.9791894542506098
Energy: 0.9829789287269348
Energy: 0.9791894542523009
Energy: 0.9047304470885636
Energy: 0.9812329011039557
Energy: 1.0283740376167845
Energy: 0.9812329011039557
Energy: 0.9123405923337682
Energy: 0.9920794046963165
Energy: 1.025368684790769
Energy: 0.9920794046963165
Energy: 0.9144457738691898
Energy: 0.9984658539545525
Energy: 0.9958687119050326
Energy: 0.9984658539545525
Energy: 1.0072229312653436
Energy: 1.0027320487656728
Energy: 1.0086171628048466
Energy: 1.0027320487639817
Energy: 0.9136666135631446
Energy: 0.9887134879802281
Energy: 1.0331410339832297
Energy: 0.988713487978537
Energy: 0.9118673119045715
Energy: 0.9759910397089278
Energy: 1.1023123569208801
Energy: 0.9759910397106187
Energy: 0.9040651964468127
Energy: 0.9758561532463012
Energy: 1.0966888559315007
Energy: 0.9758561532463012
Energy: 0.9139108499597979
Energy: 0.9853883501879285
Energy: 0.9143824230715484
Energy: 0.9853883501879285
Energy: 0.9149321472742228
Energy: 0.973360699390346
Energy: 0.914022871534074
Energy: 0.973360699390346
Energy: 0.9137573337898103
Energy: 0.9732926791541499
Energy: 0.9036105703044535
Energy: 0.9732926791541499
Energy: 0.9756059602106687
Energy: 0.9367937805111655
Energy: 0.9324422748151048
Energy: 0.9367937805128564
Energy: 1.026808511984964
Energy: 0.9747429239012293
Energy: 0.904197372997166
Energy: 0.9747429239029203
Energy: 1.0277631947949437
Energy: 0.9836520558014856
Energy: 0.9102049349357713
Energy: 0.9836520558031381
Energy: 1.0255551513615961
Energy: 0.9949974419682931
Energy: 0.9140685043976577
Energy: 0.9949974419666021
Energy: 1.0005766724728955
Energy: 0.9118765468624541
Energy: 1.0076959441265345
Energy: 0.9118765468607631
Energy: 1.0029829773166299
Energy: 0.9117699786740775
Energy: 1.0071166246446541
Energy: 0.9117699786791504
Energy: 1.0347007102926473
Energy: 0.984102062647898
Energy: 0.9141609226910642
Energy: 0.9841020626445162
Energy: 1.0978354774868935
Energy: 0.9776152090819543
Energy: 0.9118063784390972
Energy: 0.9776152090836453

minimum gb energy = 0.9036105703044535 eV
minimum distance =  2.34419515670458 Angstroms
sigma value = 17


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

Energy: 1.1946744962620597
Energy: 1.2082883533495146
Energy: 1.3628729384106657
Energy: 1.1668268078011212
Energy: 0.9040844222590214
Energy: 1.0461743926993492
Energy: 1.1034322819018672
Energy: 1.0461743927003944
Energy: 0.9096643388704312
Energy: 0.9078948058398636
Energy: 1.0907679157769261
Energy: 0.9078948058419539
Energy: 0.9083451776348694
Energy: 0.907517589166766
Energy: 1.0847172497159694
Energy: 0.9075175891678111
Energy: 0.912519412892285
Energy: 0.9106402763871796
Energy: 0.9928245258172198
Energy: 0.9106402763871796
Energy: 0.9554496212667049
Energy: 1.0451512581804865
Energy: 0.9575308360379563
Energy: 1.0451512581794413
Energy: 0.9547269613709212
Energy: 1.0503042763423
Energy: 0.9551015866150074
Energy: 1.0503042763423
Energy: 0.974172321795485
Energy: 0.99332121500495
Energy: 0.9545044271446292
Energy: 0.99332121500495
Energy: 1.1040174611033862
Energy: 0.9077588535909322
Energy: 0.9071310420421816
Energy: 0.9077588535898871
Energy: 1.0552430390982654
Energy: 0.9104499702090766
Energy: 0.9085660928924759
Energy: 0.910449970211167
Energy: 1.1173252166603895
Energy: 0.908672436105525
Energy: 0.9103701606887509
Energy: 0.9086724361065701
Energy: 1.0812054126570705
Energy: 1.019650185035691
Energy: 1.171161160378898
Energy: 1.0196501850304651
Energy: 1.16093715186342
Energy: 1.0911137308777656
Energy: 1.0424122863806
Energy: 1.0911137308777656
Energy: 1.1227627302806507
Energy: 0.9087064021117846
Energy: 0.9111869716382358
Energy: 0.9087064021180555
Energy: 1.0814905166792868
Energy: 0.9042096037934091
Energy: 1.001058301663641
Energy: 0.9042096037934091
Energy: 1.1514797258139966
Energy: 0.903614384679492
Energy: 0.9754270637802683
Energy: 0.903614384680537
Energy: 0.9256483031105063
Energy: 1.0302778316043602
Energy: 1.052717257053239
Energy: 1.0302778316043602
Energy: 0.9219723170548556
Energy: 1.0343061914615388
Energy: 1.0061055099021665
Energy: 1.0343061914594482
Energy: 0.9225962743529919
Energy: 1.0352224682445352
Energy: 1.0043371245002382
Energy: 1.0352224682445352
Energy: 0.9171903155543766
Energy: 0.9489454052094255
Energy: 1.0178980943086815
Energy: 0.9489454052094255
Energy: 0.9064156579782293
Energy: 0.9642048843432346
Energy: 1.0619714440321877
Energy: 0.9642048843442798
Energy: 0.9079994717930665
Energy: 0.9083460041796863
Energy: 1.0596347338484124
Energy: 0.9083460041765509
Energy: 0.9132881228375281
Energy: 0.9744706237027602
Energy: 1.0020747004634638
Energy: 0.9744706236881278
Energy: 1.1134880029338468
Energy: 1.0573877793374158
Energy: 1.1107670337484186
Energy: 1.0573877793395063
Energy: 1.0460404188308552
Energy: 0.9041536369089114
Energy: 1.101170028370828
Energy: 0.9041536369078663
Energy: 0.9993961451227762
Energy: 0.9774779723195062
Energy: 0.9142262537610888
Energy: 0.9774779723174157
Energy: 1.149422209593244
Energy: 1.1121080427518373
Energy: 1.148799240701809
Energy: 1.1121080427518373
Energy: 0.97025309310545
Energy: 0.9041922278577179
Energy: 0.9123010750407046
Energy: 0.9041922278598082
Energy: 1.0595279068518617
Energy: 0.9654740650071995
Energy: 0.9100028031204996
Energy: 0.9654740650061542
Energy: 1.0292157979080243
Energy: 0.9088393044289511
Energy: 0.9073891619119445
Energy: 0.9088393044143187
Energy: 1.0272985504139234
Energy: 0.9073818901920792
Energy: 0.9078456383970541
Energy: 0.9073818901920792
Energy: 1.0097725562006932
Energy: 0.9791390985600632
Energy: 0.9197383621906187
Energy: 0.9791390985611085
Energy: 1.005984684926456
Energy: 1.0340876982419247
Energy: 0.9193308555994957
Energy: 1.0340876982419247
Energy: 1.0048273692817817
Energy: 1.054544531723849
Energy: 0.9223348717271653
Energy: 1.0545445317228037
Energy: 0.9088048154535122
Energy: 0.9070437417239461
Energy: 0.931625756199264
Energy: 0.9070437417229008
Energy: 1.0013809613740956
Energy: 0.9876412532238856
Energy: 1.11669174311483
Energy: 0.9876412532217953
Energy: 1.0005975064693353
Energy: 0.9076063791174961
Energy: 1.0321281296193352
Energy: 0.9076063791174961
Energy: 0.9088084169730832
Energy: 0.9997715956873157
Energy: 1.1020143304913421
Energy: 0.9997715956873157

minimum gb energy = 0.903614384679492 eV
minimum distance =  2.33233299494195 Angstroms
sigma value = 89


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

Energy: 1.4883129714958283
Energy: 0.8806871413504413
Energy: 1.0979384047922456
Energy: 1.0962368375683396
Energy: 0.8318413163153265
Energy: 0.8604868663394153
Energy: 0.8594910027914195
Energy: 0.8604868663394153
Energy: 0.8594583147332827
Energy: 0.8600789124710279
Energy: 0.9509373232874818
Energy: 0.8600789124712765
Energy: 0.8545501502438947
Energy: 0.9327915465724549
Energy: 0.9510949942193849
Energy: 0.9327915465724549
Energy: 0.8598419753294214
Energy: 0.8945398936975156
Energy: 0.8956389983112258
Energy: 0.8945398936977952
Energy: 0.8987884429564748
Energy: 0.9436565309171645
Energy: 0.8945376270587152
Energy: 0.9436565309201477
Energy: 0.9014899548335686
Energy: 0.9766948270630361
Energy: 0.9026757668371165
Energy: 0.9766948270632846
Energy: 0.8936694952153394
Energy: 0.9442333580650915
Energy: 0.8960464121411825
Energy: 0.9442333580831465
Energy: 0.9210047833867125
Energy: 0.9353881832611404
Energy: 0.8546114865340307
Energy: 0.9353881832611404
Energy: 0.9221639299087323
Energy: 0.9366186265309253
Energy: 0.8596500359902073
Energy: 0.9366186265306456
Energy: 1.0366418760435725
Energy: 0.9379489014923538
Energy: 0.861976889463931
Energy: 0.9379489014920741
Energy: 0.8590532806242135
Energy: 0.8594539596464621
Energy: 1.0267525442092922
Energy: 0.8594539596469905
Energy: 1.113791700311914
Energy: 0.8613866663964935
Energy: 1.0255778863840215
Energy: 0.8613866663964935
Energy: 0.8594256349420263
Energy: 1.0004151718929621
Energy: 0.8612760879303981
Energy: 1.00041517189405
Energy: 1.1074397051985472
Energy: 0.8572156501457878
Energy: 0.859816954898789
Energy: 0.8572156501452596

minimum gb energy = 0.8318413163153265 eV
minimum distance =  2.35268707909749 Angstroms
sigma value = 13


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

Energy: 0.9897932653211531
Energy: 0.8788366414744176
Energy: 1.1324866237782072
Energy: 1.0887314016166492
Energy: 0.81706043057964
Energy: 0.9161962564842682
Energy: 0.8503837824206639
Energy: 0.9161962564842682
Energy: 0.8514613743697069
Energy: 0.9142861931062986
Energy: 0.8900334597712153
Energy: 0.9142861931062986
Energy: 0.8464794556895578
Energy: 0.9140378915469451
Energy: 0.8891591301239833
Energy: 0.9140378915480912
Energy: 0.9197515318970346
Energy: 0.8570650737462043
Energy: 0.8640695462081599
Energy: 0.857065073745058
Energy: 0.8799513909409383
Energy: 0.9453740664096887
Energy: 0.8375482737409268
Energy: 0.9453740664085426
Energy: 0.8818656151274497
Energy: 0.9438566905773639
Energy: 0.8392420958869751
Energy: 0.9438566905773639
Energy: 0.8835284483210503
Energy: 0.9145494328833519
Energy: 0.8483386005379511
Energy: 0.9145494328844982
Energy: 0.8810255917439815
Energy: 0.8952917502951596
Energy: 0.8369208171653817
Energy: 0.8952917502951596
Energy: 0.8812639503725015
Energy: 0.9462666266404983
Energy: 0.8342096519895895
Energy: 0.9462666266416446
Energy: 0.9201014807519229
Energy: 0.8964747919317311
Energy: 0.8637032678934276
Energy: 0.8964747919317311
Energy: 0.8470182475865152
Energy: 0.9137230876731941
Energy: 0.8634598047939279
Energy: 0.9137230876743403
Energy: 0.8512392558649508
Energy: 0.9136636911440432
Energy: 0.8634341958570315
Energy: 0.9136636911440432
Energy: 0.8512634140749439
Energy: 0.8546462578769577
Energy: 0.862673901219311
Energy: 0.8546462578769577
Energy: 1.0022520715825456
Energy: 0.851296168023625
Energy: 0.8520059995892212
Energy: 0.8512961680224786
Energy: 1.0022876355924435
Energy: 0.8514734576891614
Energy: 0.8515149470512379
Energy: 0.8514734576903078
Energy: 0.8516034078763685
Energy: 0.9184180203810333
Energy: 0.9058298662435156
Energy: 0.9184180203810333
Energy: 0.8513603629520153
Energy: 0.8490005906271048
Energy: 0.8930395960129858
Energy: 0.8490005909834198
Energy: 0.8556168964034178
Energy: 0.8521029226536422
Energy: 0.8180982683986304
Energy: 0.8521029226513498
Energy: 0.8628746166892831
Energy: 0.9160843554176655
Energy: 0.9059122812311395
Energy: 0.9160843554176655
Energy: 0.8891619540963348
Energy: 0.9164477518689362
Energy: 0.8477754023557695
Energy: 0.9164477518689362
Energy: 0.863742859078468
Energy: 0.851167707788713
Energy: 0.8514949249564625
Energy: 0.851167707788713
Energy: 0.8414639539294219
Energy: 0.946432161693937
Energy: 0.8799579654588167
Energy: 0.946432161693937
Energy: 0.8395974829316384
Energy: 0.9433381157815127
Energy: 0.849354486502771
Energy: 0.9433381157815127
Energy: 0.8354685862344488
Energy: 0.8975105565861218
Energy: 0.8748565079709434
Energy: 0.8975105565872679
Energy: 0.8348371446857041
Energy: 0.895802058526031
Energy: 0.8766927851385435
Energy: 0.8958020585271773
Energy: 0.8358855505667143
Energy: 0.9446318494445606
Energy: 0.8786431569551519
Energy: 0.9446318494445606
Energy: 0.8648497037225976
Energy: 0.9477999965561396
Energy: 0.8739470777625379
Energy: 0.9477999965561396
Energy: 0.862778781407427
Energy: 0.8489532930757319
Energy: 0.8486777433995994
Energy: 0.8489532930757319
Energy: 0.8739657746248326
Energy: 0.9146358720993165
Energy: 0.8507234500019554
Energy: 0.9146358721004626
Energy: 0.8628061690545431
Energy: 0.8517519236318852
Energy: 0.8514340138859976
Energy: 0.8517519236318852
Energy: 0.8532056867398762
Energy: 0.8510272287464867
Energy: 1.0021716791688318
Energy: 0.8510272287487791
Energy: 0.8531071938277348
Energy: 0.8512116844221675
Energy: 1.0020146847779066
Energy: 0.8512116844221675
Energy: 0.9061991988577577
Energy: 1.0062858999782378
Energy: 0.8512212823560721
Energy: 1.0062858999759974
Energy: 1.117746297054391
Energy: 0.8492991476586857
Energy: 0.8514924256884331
Energy: 0.8492991476563934

minimum gb energy = 0.81706043057964 eV
minimum distance =  2.35794775516012 Angstroms
sigma value = 37


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

Energy: 0.982175275722005
Energy: 0.861976054680845
Energy: 1.0607148001043751
Energy: 1.0600487502516287
Energy: 0.7865078271515575
Energy: 0.8306990625920687
Energy: 0.8321032652084734
Energy: 0.8306990625918894
Energy: 0.8344457773339718
Energy: 0.89130271693087
Energy: 0.8390452965259979
Energy: 0.8913027169298839
Energy: 0.8270716966923388
Energy: 0.887137802627364
Energy: 0.8391800224979744
Energy: 0.8871378026271624
Energy: 0.8176073414576598
Energy: 0.8363729910645136
Energy: 0.8298137027791262
Energy: 0.8363729910647153
Energy: 0.8188044659430178
Energy: 0.8913055514897743
Energy: 0.7859016367416104
Energy: 0.8913055514919478
Energy: 0.8219172752329215
Energy: 0.8865903577494323
Energy: 0.786458655637466
Energy: 0.8865903577494323
Energy: 0.8239648614162258
Energy: 0.7981020115061773
Energy: 0.7978648266543075
Energy: 0.798102011505393
Energy: 0.7996110740446839
Energy: 0.8812476506038579
Energy: 0.7998738458041558
Energy: 0.8812476506052473
Energy: 0.802567326723754
Energy: 0.8827882138511676
Energy: 0.8036407925188118
Energy: 0.8827882138519517
Energy: 0.7979267759698404
Energy: 0.8698308101918821
Energy: 0.7993655495075361
Energy: 0.8698308101920837
Energy: 0.7867967796691004
Energy: 0.8888718686694688
Energy: 0.839534422997199
Energy: 0.8888718686694688
Energy: 0.7842672344002988
Energy: 0.8892829237395127
Energy: 0.8376760977404234
Energy: 0.88928292373893
Energy: 0.8279341342639409
Energy: 0.9286307350063896
Energy: 0.8921178673365927
Energy: 0.9286307350073756
Energy: 0.813540545073517
Energy: 0.8843175329890317
Energy: 0.8301217633949014
Energy: 0.8843175329876424
Energy: 0.8244864551459573
Energy: 0.8851141326094649
Energy: 0.8357597998547284
Energy: 0.8851141326082772
Energy: 0.8290485140612239
Energy: 0.7830549274719609
Energy: 0.8347435602569625
Energy: 0.7830549274741346
Energy: 1.0585388274028884
Energy: 1.0595743258418806
Energy: 0.7797974162517809
Energy: 1.0595743258401102
Energy: 0.8327547738742307
Energy: 0.8324007615036403
Energy: 0.8214236181145208
Energy: 0.8324007615032368
Energy: 0.7865078355322374
Energy: 0.891722632115923
Energy: 0.8351529654824474
Energy: 0.8917226321155196

minimum gb energy = 0.7797974162517809 eV
minimum distance =  2.34209364427637 Angstroms
sigma value = 25


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

Energy: 0.9259034326040869
Energy: 0.8141580244749008
Energy: 0.9809251749665209
Energy: 0.9815527736368472
Energy: 0.7568899473941214
Energy: 0.8376090547165305
Energy: 0.7918134747577303
Energy: 0.8376090547165305
Energy: 0.7915656724431351
Energy: 0.836685719068657
Energy: 0.7509433326183289
Energy: 0.836685719068657
Energy: 0.7899865632325339
Energy: 0.8307128752997103
Energy: 0.7876242775015567
Energy: 0.8307128752997103
Energy: 0.7607234033358481
Energy: 0.7453298708186438
Energy: 0.7554778812910629
Energy: 0.7453298708186438
Energy: 0.8056754229458254
Energy: 0.8311673005627614
Energy: 0.7483045450745738
Energy: 0.8311673005612215
Energy: 0.8057538244189095
Energy: 0.8305650088534708
Energy: 0.7605754715797478
Energy: 0.8305650088534708
Energy: 0.766519098069498
Energy: 0.7510127448646494
Energy: 0.7684462377803369
Energy: 0.751012744869269
Energy: 0.727691690768869
Energy: 0.8141699254570578
Energy: 0.7665152997159186
Energy: 0.8141699254570578
Energy: 0.729818313183328
Energy: 0.8143330939005402
Energy: 0.7514556654866469
Energy: 0.8143330939005402
Energy: 0.7111748768716055
Energy: 0.784501304345473
Energy: 0.7554388647068214
Energy: 0.7845013043439332
Energy: 0.7225116993183486
Energy: 0.8045882090058339
Energy: 0.7221376781163764
Energy: 0.8045882090058339
Energy: 0.730799312987276
Energy: 0.8057907701762251
Energy: 0.7226621367825318
Energy: 0.8057907701762251
Energy: 0.7582516164977263
Energy: 0.7852640235971662
Energy: 0.7183167640246719
Energy: 0.7852640235971662
Energy: 0.7719617215095634
Energy: 0.8135426134443828
Energy: 0.7290038426817159
Energy: 0.8135426134459226
Energy: 0.7714517522811255
Energy: 0.8139627681996582
Energy: 0.749062510655406
Energy: 0.8139627681996582
Energy: 0.7633225655845193
Energy: 0.7504772207283659
Energy: 0.7649207686535802
Energy: 0.7504772207314456
Energy: 0.7595713129003543
Energy: 0.8311603045117987
Energy: 0.7447704358349494
Energy: 0.8311603045102589
Energy: 0.7533091067786647
Energy: 0.8354142219037789
Energy: 0.8166676161121516
Energy: 0.8354142219037789
Energy: 0.7542176218451666
Energy: 0.7907092598536947
Energy: 0.790996153086675
Energy: 0.7907092598536947
Energy: 0.755727019476482
Energy: 0.8337992715355999
Energy: 0.790171705965609
Energy: 0.8337992715355999
Energy: 0.7539765105920131
Energy: 0.7939057126742545
Energy: 0.7903612999751143
Energy: 0.7939057126757945
Energy: 0.754483715936035
Energy: 0.7532821809246811
Energy: 0.751541669349589
Energy: 0.753282180926221
Energy: 0.9704215528465029
Energy: 0.9699608064889869
Energy: 0.7482583915409543
Energy: 0.9699608064905267
Energy: 0.7909363703792598
Energy: 0.7908806962236394
Energy: 0.790078056361211
Energy: 0.7908806962251794
Energy: 0.7490786827582526
Energy: 0.7936311562989686
Energy: 0.7901336198467332
Energy: 0.7936311562989686

minimum gb energy = 0.7111748768716055 eV
minimum distance =  2.35781901769324 Angstroms
sigma value = 41


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

Energy: 0.8884157651751049
Energy: 0.7675684453517293
Energy: 0.9247064325704469
Energy: 0.9093582199491843
Energy: 0.7239448734236039
Energy: 0.787551675263045
Energy: 0.7494421845153566
Energy: 0.787551675263045
Energy: 0.7501266066343408
Energy: 0.751638939155928
Energy: 0.7162435877853727
Energy: 0.751638939155928
Energy: 0.7503463689705131
Energy: 0.7813163131819235
Energy: 0.7606305239657776
Energy: 0.7813163131819235
Energy: 0.7268432379805042
Energy: 0.7262775558057414
Energy: 0.7240132792091077
Energy: 0.7262775558057414
Energy: 0.7535531516816436
Energy: 0.7843830455934667
Energy: 0.7265948356985381
Energy: 0.7843830455934667
Energy: 0.738796626963082
Energy: 0.7823287819529637
Energy: 0.7246662360949636
Energy: 0.7823287819517012
Energy: 0.7335585620730775
Energy: 0.7305926750414761
Energy: 0.7582267851820514
Energy: 0.7305926750414761
Energy: 0.7029625579193851
Energy: 0.7647839593949056
Energy: 0.7078917407468468
Energy: 0.7647839593961108
Energy: 0.7044046046580252
Energy: 0.7656462782316379
Energy: 0.7106049069338244
Energy: 0.7656462782316379
Energy: 0.6885243846282186
Energy: 0.7449831730516734
Energy: 0.7287239918807021
Energy: 0.744983173050411
Energy: 0.6881936652327807
Energy: 0.7502568311274604
Energy: 0.6688814405773164
Energy: 0.7502568311274604
Energy: 0.7098497041694996
Energy: 0.7526719814595546
Energy: 0.6620453490631117
Energy: 0.7526719814595546
Energy: 0.7085798545053249
Energy: 0.7263994461890768
Energy: 0.6617592197796588
Energy: 0.7263994461890768
Energy: 0.6610061923182793
Energy: 0.7460454902967824
Energy: 0.6610880033221082
Energy: 0.7460454902980449
Energy: 0.6614113047277627
Energy: 0.7457333145287662
Energy: 0.7186555719918598
Energy: 0.7457333145287662
Energy: 0.6761175775641816
Energy: 0.7504103026171799
Energy: 0.7147133539673617
Energy: 0.7504103026184424
Energy: 0.6621808764377954
Energy: 0.7500998148421101
Energy: 0.6888140132488443
Energy: 0.7500998148433726
Energy: 0.7219509270230503
Energy: 0.751064488008205
Energy: 0.6896968283387209
Energy: 0.751064488008205
Energy: 0.7261249164683922
Energy: 0.7654542966062347
Energy: 0.7014076855857877
Energy: 0.7654542966074971
Energy: 0.7261240489464553
Energy: 0.7650935628446194
Energy: 0.7063653469807332
Energy: 0.7650935628458819
Energy: 0.7521537506077224
Energy: 0.7660560613260268
Energy: 0.7343602082780886
Energy: 0.7660560613260268
Energy: 0.7252222854960814
Energy: 0.7571380222350752
Energy: 0.7320032316586491
Energy: 0.7571380222350752
Energy: 0.7238193335871272
Energy: 0.7822785647324959
Energy: 0.7362505098751794
Energy: 0.7822785647324959
Energy: 0.7231734712428403
Energy: 0.7568751919521536
Energy: 0.7329706831368404
Energy: 0.7568751919521536
Energy: 0.7297079965026173
Energy: 0.7506344728806831
Energy: 0.7512021409811731
Energy: 0.7506344728806831
Energy: 0.7437566103989046
Energy: 0.7822434153201665
Energy: 0.7581102824113498
Energy: 0.7822434153201665
Energy: 0.7252010599890784
Energy: 0.7495268997391441
Energy: 0.748339964587252
Energy: 0.7495268997378817
Energy: 0.7522905204415811
Energy: 0.7507512006695394
Energy: 0.7298707632022249
Energy: 0.750751200668277
Energy: 0.762133245579804
Energy: 0.7526586029037738
Energy: 0.7399973166806186
Energy: 0.7526586029075613
Energy: 0.74923185630324
Energy: 0.7601894690888399
Energy: 0.7485358279612455
Energy: 0.7601894690901023
Energy: 0.7176415477064008
Energy: 0.7845007126478464
Energy: 0.7507180035774763
Energy: 0.7845007126465839

minimum gb energy = 0.6610061923182793 eV
minimum distance =  2.33342804717299 Angstroms
sigma value = 15


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

Energy: 0.793881553071497
Energy: 0.7261885565591625
Energy: 0.8695252849167582
Energy: 0.8483534974320578
Energy: 0.6915320060509097
Energy: 0.7213968338779011
Energy: 0.6895738107460632
Energy: 0.7213968338789705
Energy: 0.7150071646830473
Energy: 0.7139681138847451
Energy: 0.6895195012441604
Energy: 0.7139681138847451
Energy: 0.7128079313433501
Energy: 0.7379917003383835
Energy: 0.7080078043105038
Energy: 0.737991700339453
Energy: 0.694786979687966
Energy: 0.6976158450490288
Energy: 0.692001100828898
Energy: 0.6976158450490288
Energy: 0.7093826723278943
Energy: 0.7419009630221131
Energy: 0.6970517996725764
Energy: 0.7419009630199741
Energy: 0.6895769945362774
Energy: 0.739809314706629
Energy: 0.6908072126445228
Energy: 0.7398093147076984
Energy: 0.7007970916662367
Energy: 0.7065459242240806
Energy: 0.7093259331116131
Energy: 0.7065459242251501
Energy: 0.6798539488833437
Energy: 0.7231429061107395
Energy: 0.6904872889844483
Energy: 0.72314290610967
Energy: 0.6870451702560977
Energy: 0.7241003911283559
Energy: 0.6871754700671012
Energy: 0.7241003911294254
Energy: 0.67722060274666
Energy: 0.7087136385113431
Energy: 0.7050971870280047
Energy: 0.7087136385124125
Energy: 0.6524576908596267
Energy: 0.7086992158611889
Energy: 0.6618865794580825
Energy: 0.7086992158601195
Energy: 0.6833198074572463
Energy: 0.7111382499696207
Energy: 0.654008158689026
Energy: 0.7111382499706901
Energy: 0.6812472959103368
Energy: 0.6995408091032375
Energy: 0.6452611276258984
Energy: 0.6995408091032375
Energy: 0.6272579449705372
Energy: 0.7007472966950095
Energy: 0.6429663035533715
Energy: 0.7007472966960789
Energy: 0.632687759899321
Energy: 0.6992405948728809
Energy: 0.6725376431844026
Energy: 0.6992405948728809
Energy: 0.6312943920856243
Energy: 0.6959019843166485
Energy: 0.6748400264773888
Energy: 0.695901984317718
Energy: 0.6270515447275229
Energy: 0.696581143670126
Energy: 0.6272171873080628
Energy: 0.6965811436711955
Energy: 0.6753999215229363
Energy: 0.69580341734641
Energy: 0.6322271814860273
Energy: 0.6958034173442712
Energy: 0.6725867186853779
Energy: 0.699501199494489
Energy: 0.6311339370953696
Energy: 0.69950119949235
Energy: 0.6547443275553994
Energy: 0.7004813616273219
Energy: 0.6312841438349571
Energy: 0.700481361625183
Energy: 0.6463856019803407
Energy: 0.6992619730160973
Energy: 0.6808387364706044
Energy: 0.6992619730171667
Energy: 0.6625811986526964
Energy: 0.7071159041151235
Energy: 0.688400173837671
Energy: 0.7071159041151235
Energy: 0.6629868900805842
Energy: 0.7080126427717187
Energy: 0.672835351520223
Energy: 0.7080126427695798
Energy: 0.7035783394372231
Energy: 0.7087445213590521
Energy: 0.6773120286689637
Energy: 0.7087445213569132
Energy: 0.6984674073985336
Energy: 0.7245820254978623
Energy: 0.685061763265667
Energy: 0.7245820254978623
Energy: 0.6711414415497804
Energy: 0.7230412664300851
Energy: 0.6870034456060864
Energy: 0.7230412664300851
Energy: 0.6950247806076587
Energy: 0.7253682148944829
Energy: 0.7004648990811999
Energy: 0.7253682148934135
Energy: 0.6907450587470595
Energy: 0.7399524180569732
Energy: 0.6979062404887726
Energy: 0.7399524180559038
Energy: 0.6965225145140612
Energy: 0.7412017637553163
Energy: 0.701455391064665
Energy: 0.7412017637563857
Energy: 0.6923994225229779
Energy: 0.6980973917049653
Energy: 0.7011525252480221
Energy: 0.6980973917060348
Energy: 0.7000287973058011
Energy: 0.7384573809844458
Energy: 0.7126735840050595
Energy: 0.7384573809855153
Energy: 0.6879418214514219
Energy: 0.7425444151806244
Energy: 0.7250106054153945
Energy: 0.7425444151795548
Energy: 0.6892459835330542
Energy: 0.6971703109319013
Energy: 0.7109375980886821
Energy: 0.6971703109297623
Energy: 0.838145397836495
Energy: 0.837833444412478
Energy: 0.7006629932446389
Energy: 0.837833444410339
Energy: 0.7153523928232538
Energy: 0.7186067747837077
Energy: 0.6894399103748888
Energy: 0.7186067747858468
Energy: 0.685408923012206
Energy: 0.7175921570594544
Energy: 0.7108277198294322
Energy: 0.7175921570594544

minimum gb energy = 0.6270515447275229 eV
minimum distance =  2.35728772195278 Angstroms
sigma value = 85


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

Energy: 0.6960598548718732
Energy: 0.6186753220668936
Energy: 0.737141493599387
Energy: 0.736864721804543
Energy: 0.5981153826370883
Energy: 0.6387099905533444
Energy: 0.6129167457992759
Energy: 0.6387099905533444
Energy: 0.6247791739373602
Energy: 0.6254919953164435
Energy: 0.601374143309141
Energy: 0.6254919953164435
Energy: 0.6266675410572307
Energy: 0.6471397106746767
Energy: 0.5996136759885742
Energy: 0.6471397106691323
Energy: 0.6140951609707402
Energy: 0.6145031461418944
Energy: 0.6124181282450688
Energy: 0.6145031461409669
Energy: 0.6123758955593721
Energy: 0.6536971686411623
Energy: 0.6127885425090549
Energy: 0.6536971686411623
Energy: 0.6127504951259614
Energy: 0.6510538821401609
Energy: 0.6133773911025696
Energy: 0.6510538821410885
Energy: 0.6244274433022446
Energy: 0.6239028995387509
Energy: 0.6313242306661679
Energy: 0.6239028995387509
Energy: 0.6204760868827548
Energy: 0.6430926962491555
Energy: 0.6204608118726084
Energy: 0.6430926962491555
Energy: 0.6168263148411434
Energy: 0.6441946214093993
Energy: 0.6174006351254314
Energy: 0.6441946214103268
Energy: 0.6177347813657983
Energy: 0.639454242093056
Energy: 0.6262520389271056
Energy: 0.639454242093056
Energy: 0.5983057927851374
Energy: 0.6368668547540778
Energy: 0.6246550781659073
Energy: 0.6368668547550054
Energy: 0.6192713854041908
Energy: 0.6389819234171358
Energy: 0.6146680967409155
Energy: 0.6389819234171358
Energy: 0.6198285080952076
Energy: 0.6371063051171807
Energy: 0.5968636237762204
Energy: 0.6371063051171807
Energy: 0.5858747924278932
Energy: 0.6358881888202396
Energy: 0.5843945217162383
Energy: 0.6358881888202396
Energy: 0.6047602888762014
Energy: 0.6361786303966763
Energy: 0.6162268636809827
Energy: 0.6361786303966763
Energy: 0.5841134370546939
Energy: 0.636728704648818
Energy: 0.6171401135997318
Energy: 0.636728704648818
Energy: 0.5842933594640286
Energy: 0.6361424543264507
Energy: 0.6170038870288492
Energy: 0.6361424543264507
Energy: 0.6145342543660067
Energy: 0.6364125806959577
Energy: 0.5821230512595659
Energy: 0.6364125806959577
Energy: 0.6154357800887653
Energy: 0.6364054903000302
Energy: 0.5790676416063251
Energy: 0.6364054903009578
Energy: 0.6163647657719922
Energy: 0.6362194072596411
Energy: 0.579142241588359
Energy: 0.6362194072605687
Energy: 0.580876064877506
Energy: 0.636404433377098
Energy: 0.616879556801718
Energy: 0.6364044333761704
Energy: 0.5804788043391453
Energy: 0.6358071751455335
Energy: 0.61477765016985
Energy: 0.6358071751455335
Energy: 0.5802783945463659
Energy: 0.6352087294044302
Energy: 0.5838986592079384
Energy: 0.6352087294053577
Energy: 0.6171131991884997
Energy: 0.6368439106487048
Energy: 0.585268579234355
Energy: 0.6368439106477773
Energy: 0.6170262945773818
Energy: 0.6365715453919816
Energy: 0.586033906052257
Energy: 0.6365715453919816
Energy: 0.5958872825981091
Energy: 0.6356098391838214
Energy: 0.6194020899499575
Energy: 0.6356098391838214
Energy: 0.5971973144876511
Energy: 0.5983588258477428
Energy: 0.6188728828605163
Energy: 0.5983588258477428
Energy: 0.6142051553705533
Energy: 0.6378653332297978
Energy: 0.619197627571781
Energy: 0.6378653332307254
Energy: 0.6249971815211799
Energy: 0.6381461516976392
Energy: 0.6178193186021349
Energy: 0.638146151695784
Energy: 0.6261500080793633
Energy: 0.617119566492355
Energy: 0.6178705378024242
Energy: 0.6171195664932826
Energy: 0.6064629489967341
Energy: 0.6422584197588709
Energy: 0.6188335507696162
Energy: 0.6422584197588709
Energy: 0.6314360896338823
Energy: 0.6454627495645195
Energy: 0.618292849993
Energy: 0.6454627495654471
Energy: 0.6134601673480221
Energy: 0.6141102490330603
Energy: 0.6245492326893435
Energy: 0.6141102490330603
Energy: 0.6137512803383177
Energy: 0.6507282691930872
Energy: 0.5967595781861895
Energy: 0.6507282691930872
Energy: 0.6130895458688249
Energy: 0.634812434443833
Energy: 0.6242703381360093
Energy: 0.6348124344456881
Energy: 0.605186374338423
Energy: 0.6137423800918655
Energy: 0.6252551140629652
Energy: 0.6137423800918655
Energy: 0.6076615332421514
Energy: 0.648171016390738
Energy: 0.6271910035472572
Energy: 0.648171016390738
Energy: 0.6130739843113278
Energy: 0.624638063395593
Energy: 0.6247495549206301
Energy: 0.624638063395593
Energy: 0.6130369811705698
Energy: 0.6131599911598249
Energy: 0.6015108175570165
Energy: 0.6131599911598249
Energy: 0.6261325468401787
Energy: 0.6261017147719902
Energy: 0.6161855520923238
Energy: 0.6261017147719902
Energy: 0.6246321587161093
Energy: 0.6247429729018817
Energy: 0.6247207953169928
Energy: 0.624742972900954
Energy: 0.5864052012465621
Energy: 0.6275347062029155
Energy: 0.6249907996926594
Energy: 0.6275347062029155

minimum gb energy = 0.5790676416063251 eV
minimum distance =  2.34384850680728 Angstroms
sigma value = 113


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

Energy: 0.015014877323361975
Energy: 0.015553154265836646
Energy: 0.5608013355907757
Energy: 0.11352498947803284
Energy: 0.015861102063185167
Energy: 0.11322815368032417
Energy: 0.08610034671427781
Energy: 0.11322815367961112
Energy: 0.082757967143231
Energy: 0.11355943285053974
Energy: 0.015659697847535355
Energy: 0.11355943285053974
Energy: 0.08304218843980353
Energy: 0.11358787294892411
Energy: 0.01684603047358956
Energy: 0.11358787294892411
Energy: 0.08418519998992775
Energy: 0.1141023666104806
Energy: 0.08371555246457861
Energy: 0.1141023666104806
Energy: 0.015569347951118048
Energy: 0.11366233129323061
Energy: 0.08266798829807857
Energy: 0.11366233129323061

minimum gb energy = 0.015014877323361975 eV
minimum distance =  2.44369048340394 Angstroms
sigma value = 1