Model name: model_name=EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.639085099101067
cohesive_energy=3.2833744382854766
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6525650891392998e-19, 2.0798976409597799e-19, 2.4851361769973997e-19, 2.83413831318162e-19, 3.1394971578556796e-19, 3.3924007395325803e-19, 3.60683606022714e-19, 3.8026060231356e-19, 3.9913904959198197e-19, 4.17573693942786e-19, 4.35237691332636e-19, 4.51512601580808e-19, 4.65839265042036e-19, 4.77964537808148e-19, 4.88035820129472e-19, 4.96532162819574e-19, 5.03874938333196e-19, 5.1016187944501195e-19, 5.1534812520927e-19, 5.19412847329728e-19, 5.224121219885759e-19, 5.2444848849039e-19, 5.256292926696479e-19, 5.260138150618079e-19, 5.25630894846282e-19, 5.24353960068984e-19, 5.21713572976152e-19, 5.1724029581402395e-19, 5.105624236035119e-19, 5.01306649188894e-19, 4.89117289357422e-19, 4.737187697280479e-19, 4.5501015317283e-19, 4.3304591369732395e-19, 4.0780842735855595e-19, 3.7909101337073997e-19, 3.46437051393186e-19, 3.0905186181543e-19, 2.65805910110502e-19, 2.15071384818258e-19, 1.5442339160313898e-19, 8.140178824363799e-20, -7.5836627705439e-21, -1.21445789945517e-19, -2.80119756158658e-19, -5.28636578211666e-19, -9.752625410587739e-19, -1.88686740009546e-18, -3.8359312971228e-18, -7.8321603664773e-18, -1.6872361914990598e-17, -4.06621214472762e-17, -1.182105146684808e-16, -4.6718669559123e-16]
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: 0.012495500503053833
Energy: 0.013332519497605453
Energy: 0.012945596101686115
Energy: 0.012697965913511645
Energy: 0.5607779165414966
Energy: 0.012909049318469416
Energy: 0.013332519497605453
Energy: 0.1065418525342566
Energy: 0.10644140090421225
Energy: 0.10648676150345696
Energy: 0.1065484130127069
Energy: 0.10656422372020359
Energy: 0.012945596101995586
Energy: 0.1064414009048312
Energy: 0.10779924047274775
Energy: 0.012984919860547893
Energy: 0.10649524731330891
Energy: 0.10724729786187671
Energy: 0.012697965914715142
Energy: 0.10648676150345696
Energy: 0.012984919861441919
Energy: 0.012732770646309687
Energy: 0.1066071420489204
Energy: 0.012810084195240417
Energy: 0.560777916540912
Energy: 0.10654841301208796
Energy: 0.10649524731330891
Energy: 0.10660714204922987
Energy: 0.10638781051207158
Energy: 0.10658416326253825
Energy: 0.012909049319053971
Energy: 0.10656422371989413
Energy: 0.10724729786218619
Energy: 0.012810084195549888
Energy: 0.10658416326253825
Energy: 0.012686922086812791

minimum gb energy = 0.012495500503053833 eV
minimum distance =  2.57027103090767 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.3110635517237106
Energy: 0.8725677953418465
Energy: 0.902849867841203
Energy: 0.876919653802106
Energy: 0.9090907742495888
Energy: 0.9030342623434724
Energy: 1.3121813438329732
Energy: 0.8366774617862797
Energy: 0.8356057402155007
Energy: 0.8261622676603908
Energy: 0.8233949846734268
Energy: 0.8366730202339404
Energy: 1.3251964010679265
Energy: 0.8663717709749683
Energy: 0.8545230064325259
Energy: 0.8492789469748119
Energy: 0.8711554142409622
Energy: 0.8381720462036792
Energy: 1.325561471637856
Energy: 0.8494415234549832
Energy: 0.848359550101104
Energy: 0.8451556332729531
Energy: 0.8708141751674331
Energy: 0.8472158608054655
Energy: 1.3414470495737665
Energy: 0.8373952592310153
Energy: 0.8362015474929355
Energy: 0.8357829890904084
Energy: 0.8541783475400744
Energy: 0.8359383684149847
Energy: 1.2096951160377585
Energy: 0.8536076924864007
Energy: 0.8509231696085847
Energy: 0.8476884311878459
Energy: 0.8540599913947157
Energy: 0.8510822498286719
Energy: 1.2101782583615017
Energy: 0.8467280917608414
Energy: 0.847545664503123
Energy: 0.847756807209514
Energy: 0.8463556123738081
Energy: 0.8525008247925409
Energy: 1.248534672173422
Energy: 0.8492958389799129
Energy: 0.8491479857273158
Energy: 0.854928797745128
Energy: 0.8484548623683067
Energy: 0.8528263632128369
Energy: 0.9343985358965772
Energy: 0.8484476496432867
Energy: 0.847637982697555
Energy: 0.8536921775076582
Energy: 0.8492904057568135
Energy: 0.8584926918068981
Energy: 0.9335474030122587
Energy: 0.8384905786774552
Energy: 0.8373540559392832
Energy: 0.8536773290603069
Energy: 0.8360292436197344
Energy: 0.837509763881863
Energy: 0.9914414913416486
Energy: 0.8242529837197086
Energy: 0.8257902959101339
Energy: 0.9026121306936958
Energy: 0.822436935677795
Energy: 0.854483903108025
Energy: 0.885759890389566
Energy: 0.8362211099429813
Energy: 0.8476888760912612
Energy: 0.847895866757466
Energy: 0.8500349576096164
Energy: 0.8471208078711431
Energy: 0.8847331142123913
Energy: 0.8352585906192604
Energy: 0.835619683677315
Energy: 0.849568074587403
Energy: 0.8356245824471665
Energy: 0.8353233214782281
Energy: 0.8931592123498628
Energy: 0.8438436246910667
Energy: 0.8439660592197078
Energy: 0.8731374288803689
Energy: 0.8437514179146137
Energy: 0.8489859490837931
Energy: 0.8930886335818482
Energy: 0.8361928282784027
Energy: 0.8353872596787617
Energy: 0.8704253434876786
Energy: 0.8377127735968325
Energy: 0.8375569473584
Energy: 0.8932827809390242
Energy: 0.8498858172053899
Energy: 0.8605189848235619
Energy: 0.8710052798114764
Energy: 0.8496754509288432
Energy: 0.8611206913407348
Energy: 1.1054577748127847
Energy: 0.8507870366728946
Energy: 0.8476915218227841
Energy: 0.860490163432585
Energy: 0.84961845884881
Energy: 0.8530437096480842
Energy: 1.0476578023577956
Energy: 0.8506138556944612
Energy: 0.850169655096862
Energy: 0.85036226034053
Energy: 0.8518890047264475
Energy: 0.8499205336984029
Energy: 1.0471527955731093
Energy: 0.8505897899994554
Energy: 0.8500186671510199
Energy: 0.849174484441742
Energy: 0.8500403947010227
Energy: 0.8494863869645654
Energy: 1.327020667809673
Energy: 0.850387175230225
Energy: 0.8508679244341593
Energy: 0.8490931814928167
Energy: 0.850406587064137
Energy: 0.8498284974397735
Energy: 1.3146366232901967
Energy: 0.8530574190788694
Energy: 0.8397159062934587
Energy: 0.8241071846265584
Energy: 0.8632842914898047
Energy: 0.8397303171806831
Energy: 1.284991282445657
Energy: 0.8718926245017378
Energy: 0.8592525645422112
Energy: 0.8489883910831556
Energy: 0.869877291068539
Energy: 0.8516021369558021
Energy: 1.3122720879607335
Energy: 0.8361786196618798
Energy: 0.8355313457468151
Energy: 0.8224595318954676
Energy: 0.8319315545610845
Energy: 0.8364604247679229

minimum gb energy = 0.822436935677795 eV
minimum distance =  2.36828799969249 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.609659737023092
Energy: 0.9859528028102733
Energy: 0.908089167045581
Energy: 0.904376577666013
Energy: 0.8793325891040351
Energy: 0.9856975170337661
Energy: 0.9414418487683772
Energy: 0.8868079458989176
Energy: 0.8699757207221784
Energy: 0.8683823989015866
Energy: 0.8685590770077298
Energy: 0.8803937953285388
Energy: 1.3020369045071518
Energy: 0.87121956844626
Energy: 0.8862993312157866
Energy: 0.9392663421721229
Energy: 0.8866485789087708
Energy: 0.9323208392131535
Energy: 1.3345917588943539
Energy: 1.0184368146038618
Energy: 0.8980996849805889
Energy: 0.9326076482754357
Energy: 0.9474686421562172
Energy: 0.932404701948085
Energy: 1.0212702642726925
Energy: 1.0241474558455768
Energy: 0.8892050847342106
Energy: 0.8793295279988353
Energy: 1.0423100080053418
Energy: 1.0233937769093746
Energy: 1.0285891470569737
Energy: 1.0432979018655328
Energy: 1.0329514345027282
Energy: 1.0313059140847414
Energy: 1.047267398237276
Energy: 1.0325705074200564
Energy: 1.0284471188984594
Energy: 1.0380751232356673
Energy: 1.036040680225233
Energy: 1.0327885365631024
Energy: 0.9268974641510023
Energy: 0.9142773786153239
Energy: 1.0622948078450851
Energy: 0.9427723767381437
Energy: 0.9426386232005184
Energy: 1.034474558130529
Energy: 0.9429309655690175
Energy: 0.9425275563459592
Energy: 0.9876055334587192
Energy: 0.9416395533447344
Energy: 1.03131740505406
Energy: 0.9289619540395012
Energy: 0.9416240958434327
Energy: 0.9227085571854491
Energy: 0.992641576102517
Energy: 0.9289485109230736
Energy: 0.9239284402388565
Energy: 0.9138734296625747
Energy: 0.9159196336962852
Energy: 0.9203489152978873
Energy: 0.9875753338845338
Energy: 0.9008298549488603
Energy: 0.9012232369091973
Energy: 0.9510936734861982
Energy: 0.85300400869233
Energy: 0.8530355566308148
Energy: 0.9276944406235079
Energy: 0.9174719146173314
Energy: 0.9268740741112587
Energy: 0.9274150362684943
Energy: 0.863851875906908
Energy: 0.9115167830932497
Energy: 0.9251598379172894
Energy: 1.0236746207960348
Energy: 1.024282461901138
Energy: 0.9257651488239652
Energy: 0.9244498604988228
Energy: 0.918866341360447
Energy: 1.0675680430945549
Energy: 0.9321296479809102
Energy: 0.932194910692079
Energy: 1.036156389664014
Energy: 0.9324519468949628
Energy: 0.9322463239924774
Energy: 1.0419416422277683
Energy: 1.0265908065530733
Energy: 1.026832751822483
Energy: 1.0368948222655816
Energy: 0.9321241329813346
Energy: 0.9323478152537674
Energy: 1.0436644755742104
Energy: 1.0372586195935989
Energy: 1.0345314029659622
Energy: 1.0456715030387658
Energy: 1.035667153472268
Energy: 1.0372607187437823
Energy: 1.1056769431261568
Energy: 0.931322550336086
Energy: 1.0357474931311694
Energy: 1.0437240744712668
Energy: 1.038269447798512
Energy: 0.9219398605487709
Energy: 1.0656755973777123
Energy: 0.9328097991035219
Energy: 1.0288783433343616
Energy: 0.9427170909627745
Energy: 1.03030421253511
Energy: 0.9430607009788252
Energy: 1.0664303103407164
Energy: 0.9232009723836281
Energy: 0.9286221710284768
Energy: 0.9428921147650907
Energy: 0.9287316514245835
Energy: 0.9227736293154898
Energy: 0.8844160871960285
Energy: 0.9211042250037396
Energy: 0.9382794224036709
Energy: 1.029544906051016
Energy: 0.9382788868787428
Energy: 0.9176333548687416
Energy: 1.455014133238707
Energy: 0.9122516646354013
Energy: 0.9008680009400293
Energy: 0.8785482373632243
Energy: 0.9251010033161796
Energy: 0.8525587608350524
Energy: 0.8490599386576677
Energy: 0.9121452235328761
Energy: 0.926623059605528
Energy: 0.9169885486031227
Energy: 0.9337405855398093
Energy: 0.9208081890477662
Energy: 0.9016990368851125
Energy: 0.912535230719139
Energy: 0.9373282951050085
Energy: 1.0242560040144524
Energy: 0.9324947557010876
Energy: 0.9175288455238123
Energy: 1.3339516350717093
Energy: 0.9990887281139775
Energy: 1.0213281330718313
Energy: 0.9325807868295696
Energy: 1.0232238323953589
Energy: 0.932842508222724
Energy: 0.9222170373421741
Energy: 0.9389532811592818
Energy: 1.02478667477975
Energy: 1.0243549118944717
Energy: 1.025351428383549
Energy: 0.9265230016293122
Energy: 1.038157156693562
Energy: 0.9407650182404167
Energy: 1.0361971113015598
Energy: 1.036979024392365
Energy: 1.0481170476599078
Energy: 0.9846518734389617
Energy: 1.037279146275345
Energy: 0.9191064569262922
Energy: 0.9036286329609443
Energy: 1.0361388464510608
Energy: 1.0338100019716006
Energy: 1.037119103961828
Energy: 1.0379636208984857
Energy: 0.9427587846111528
Energy: 0.9430045932920595
Energy: 1.026474707864804
Energy: 0.9425113436824827
Energy: 1.0305407972463887
Energy: 0.987041507677064
Energy: 0.9427005179593994
Energy: 0.9425060760992703
Energy: 0.9412058204118571
Energy: 0.9425417918538885
Energy: 0.9339193011368198
Energy: 0.9906247923143787
Energy: 0.9183195854198615
Energy: 0.9179347034518063
Energy: 0.932766838222598
Energy: 1.0243084137399951
Energy: 0.9322602240275796
Energy: 1.1238012736082095
Energy: 0.8525617570863114
Energy: 0.8522946787676186
Energy: 0.9277311787277828
Energy: 0.890162403066891
Energy: 0.8999954524601897
Energy: 0.9297600505957578
Energy: 0.8631293548406208
Energy: 0.8580142042424366
Energy: 0.9298228288808229
Energy: 0.9171281770550814
Energy: 0.9238178049069102
Energy: 0.9149479311054662
Energy: 0.915097334678851
Energy: 0.9155171221786752
Energy: 0.9298045665254672
Energy: 1.0234975564411193
Energy: 0.9301430155941298
Energy: 0.938604936236305
Energy: 0.9321239461348375
Energy: 0.9318922152384671
Energy: 0.9389113410999796
Energy: 0.9329532626379553
Energy: 0.9316207545610758
Energy: 1.032825138185166
Energy: 0.9283673289124996
Energy: 0.927137559349445
Energy: 1.0216297295761745
Energy: 1.0204777733293693
Energy: 1.0219204472247223
Energy: 1.0650177411513522
Energy: 1.0304932791851311
Energy: 0.9254307220574525
Energy: 1.0520920766440902
Energy: 1.042744323977366
Energy: 1.0358216883986495
Energy: 1.0329831688057143
Energy: 1.035102412442582
Energy: 0.850967192073961
Energy: 0.8608902064878177
Energy: 0.8745031321211811
Energy: 1.0394404579925074
Energy: 0.9603586947253573
Energy: 1.0269216193514696
Energy: 0.8733704199287873
Energy: 0.9423731787435992
Energy: 1.0392272857688194
Energy: 1.0260747122210612
Energy: 1.0709758190899334
Energy: 0.8874045623620405
Energy: 0.873876347416039
Energy: 0.9430512519495433
Energy: 0.8763969120583044
Energy: 0.943106663489772
Energy: 1.0384663647145784
Energy: 0.893965763134459
Energy: 0.8758305130951649
Energy: 0.867932166094714
Energy: 0.8677742421235106
Energy: 0.8851154777874065
Energy: 0.9658132115951661
Energy: 0.8812158426345567
Energy: 0.852553590508638
Energy: 0.8629276821143799
Energy: 0.8813969876621718
Energy: 0.9233284705915208

minimum gb energy = 0.8490599386576677 eV
minimum distance =  2.31224588006461 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.3619806940132335
Energy: 0.9866884228179476
Energy: 0.9871191795586434
Energy: 0.9075855386022698
Energy: 1.0043302265767755
Energy: 0.9065867900583054
Energy: 1.2811480244423377
Energy: 0.8989728371534822
Energy: 0.8969862826443781
Energy: 0.8566608177721496
Energy: 0.8990084950502685
Energy: 0.8954998691150288
Energy: 1.234301478702913
Energy: 0.8990722091085169
Energy: 0.8913837306326986
Energy: 0.882130094629082
Energy: 0.8994840329706818
Energy: 0.8827759244749996
Energy: 1.2296582911275977
Energy: 0.8991916281872415
Energy: 0.8878375028492848
Energy: 0.8768790147974396
Energy: 0.8989643881327889
Energy: 0.8771041297050518
Energy: 1.1383076637488545
Energy: 0.9023083974221745
Energy: 0.9025562141354074
Energy: 0.917040153699063
Energy: 0.9022138645374709
Energy: 0.8578140675997835
Energy: 1.01869083952788
Energy: 0.9016793653594513
Energy: 0.9023750071744224
Energy: 0.9020652854608577
Energy: 0.9017194490616804
Energy: 0.9011160540825345
Energy: 1.0188768069397867
Energy: 0.8560378045801558
Energy: 0.8564915465555412
Energy: 0.9009607206914029
Energy: 0.856018723838209
Energy: 0.9017325168393777
Energy: 1.0174233238819514
Energy: 0.8586633903488559
Energy: 0.858557056816356
Energy: 0.8983891779693967
Energy: 0.8583553220872737
Energy: 0.8580412893056769
Energy: 0.8986036670632618
Energy: 0.8581187738578163
Energy: 0.8579714291148317
Energy: 0.8984586793697015
Energy: 0.8584463587453314
Energy: 0.8819118736966711
Energy: 0.8986153781421985
Energy: 0.8730031319654388
Energy: 0.8811884627693507
Energy: 0.8987274851695104
Energy: 0.8730564646840372
Energy: 0.8957788420625756
Energy: 0.8997017402769739
Energy: 0.8865186543283091
Energy: 0.8869854244012239
Energy: 0.8997425059348948
Energy: 0.8837807909279803
Energy: 0.8868005749820802
Energy: 0.9121372085123206
Energy: 0.8725343566761592
Energy: 0.8734109347427809
Energy: 0.8748433417201372
Energy: 0.8663858987961202
Energy: 0.8955715761244942
Energy: 0.9115963037195193
Energy: 0.8749295726811563
Energy: 0.874249342235659
Energy: 0.8888941153303039
Energy: 0.8839463237491132
Energy: 0.8893771539663287
Energy: 0.9120874731245107
Energy: 0.8785803608500962
Energy: 0.8791096661719757
Energy: 0.90786005991174
Energy: 0.8785427115635723
Energy: 0.8792227144860654
Energy: 1.0934019617070054
Energy: 0.8914256279127686
Energy: 0.8917657245053873
Energy: 0.8908896619175011
Energy: 0.8925372243829349
Energy: 0.880393822022731
Energy: 1.0933135054027363
Energy: 0.8914414694059614
Energy: 0.891513094386936
Energy: 0.8985564234337348
Energy: 0.8915971514713487
Energy: 0.8909988765323353
Energy: 1.1390078200480662
Energy: 0.8924525030014698
Energy: 0.8912555112987945
Energy: 0.9012373660503258
Energy: 0.8923154649579548
Energy: 0.8710434933434774
Energy: 1.3651284835370492
Energy: 0.8994685882652217
Energy: 0.90802450812978
Energy: 0.85871788600389
Energy: 0.8993263216262897
Energy: 0.8105377537201757

minimum gb energy = 0.8105377537201757 eV
minimum distance =  2.35170843911397 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.281673051441165
Energy: 0.9217676840610338
Energy: 0.8301209092570572
Energy: 0.960034674445546
Energy: 0.8285498000238511
Energy: 0.9218859563089846
Energy: 0.9279057459866227
Energy: 0.8574078509412095
Energy: 0.8414022445898289
Energy: 0.8657085984010526
Energy: 0.8575484339068494
Energy: 0.8575990646694497
Energy: 0.8593717918104238
Energy: 0.8469409345743218
Energy: 0.8788933316690001
Energy: 0.9001512789021385
Energy: 0.879357357944993
Energy: 0.8577554374652923
Energy: 1.0516179308228497
Energy: 0.9791515705555964
Energy: 0.9953140836040134
Energy: 0.9158544438972371
Energy: 0.9115860049646461
Energy: 0.9120993473283503
Energy: 0.8692520769746905
Energy: 0.9795355338867227
Energy: 0.941582973681452
Energy: 0.8746635972324093
Energy: 0.9293375217931028
Energy: 0.9524312790121123
Energy: 0.9437524865914931
Energy: 0.8765732580397265
Energy: 0.9504890563057818
Energy: 0.9506122019346922
Energy: 0.8767982524458657
Energy: 0.95017631349356
Energy: 1.0188592164396122
Energy: 0.9636808564225994
Energy: 0.9544193016742095
Energy: 0.9551624633549419
Energy: 0.8928884281844243
Energy: 0.9440544835869072
Energy: 1.0146663747877875
Energy: 0.8263376856910317
Energy: 0.8263368162520849
Energy: 0.9275339276634982
Energy: 0.7855592242486902
Energy: 0.7855564406520892
Energy: 0.9182249319889915
Energy: 0.830501077255145
Energy: 0.8262562016036014
Energy: 0.9194077503569065
Energy: 0.7856501125415342
Energy: 0.7854996894501528
Energy: 0.9183042436199282
Energy: 0.9197974802063068
Energy: 0.9198588451649804
Energy: 0.905858947754835
Energy: 0.9229340775223841
Energy: 0.9217549796685405
Energy: 0.9288837242840239
Energy: 0.9110988363874551
Energy: 0.9137171252353837
Energy: 0.9287005574242487
Energy: 0.9137653997249182
Energy: 0.9291379723213385
Energy: 0.9673642699660004
Energy: 1.010647062569394
Energy: 1.0127836865272544
Energy: 0.995352000176354
Energy: 0.9664196075864667
Energy: 0.9418055392014164
Energy: 0.8748008066268924
Energy: 1.0046158295734655
Energy: 1.0036381122543634
Energy: 0.8757137145691913
Energy: 1.0045554412460584
Energy: 1.0051424595945306
Energy: 0.9673953678262628
Energy: 0.9948155560515906
Energy: 0.9945801292483988
Energy: 1.0087078069037232
Energy: 0.9950410312094994
Energy: 0.9943976621893242
Energy: 1.0885497748213206
Energy: 0.9774950234375682
Energy: 0.9774704708564111
Energy: 0.7855194877212751
Energy: 0.9777072789055945
Energy: 0.7857370445754278
Energy: 1.1434296407283646
Energy: 0.9039386328523296
Energy: 0.7820449065116971
Energy: 0.7858248408840094
Energy: 0.9338772881928649
Energy: 0.7855384527520474
Energy: 1.0494790063238484
Energy: 0.9777201003801836
Energy: 0.977812994801543
Energy: 0.9779415449174723
Energy: 0.9771133973861428
Energy: 0.9775062254311674
Energy: 1.051598115685286
Energy: 0.9774543182272152
Energy: 0.9776615449953145
Energy: 0.9162623098153384
Energy: 0.9772752689460447
Energy: 0.9774618165155058
Energy: 1.0515505479023097
Energy: 0.9191501375939141
Energy: 0.9433753869011109
Energy: 0.9348617893638815
Energy: 0.9975109137723259
Energy: 1.0172821677499937
Energy: 1.0140446005102464
Energy: 0.8766535286316717
Energy: 0.9418165674734691
Energy: 1.0220814182285316
Energy: 0.8768820980218401
Energy: 1.0204764385402993
Energy: 0.9456177176261052
Energy: 0.9421605831888065
Energy: 0.9473233212699065
Energy: 0.9670189195404413
Energy: 1.0251207914242297
Energy: 0.9659499039982349
Energy: 0.9461163071546638
Energy: 0.9273028394640186
Energy: 0.9275719773623211
Energy: 0.9462533833407133
Energy: 1.0074872933500505
Energy: 0.9453335013417457
Energy: 0.995050380037264
Energy: 0.7855494065680909
Energy: 0.781977359408208
Energy: 0.968399408893117
Energy: 0.8259898540162464
Energy: 0.8266154365930072
Energy: 0.925845596815496
Energy: 0.9331077946309464
Energy: 0.9335616202429873
Energy: 0.9276502197060054
Energy: 0.8790925716508365
Energy: 0.9277275556414699
Energy: 0.9331082397429291
Energy: 0.9483438338020187
Energy: 0.9304250442457239
Energy: 0.9257988183052004
Energy: 0.9530037009987136
Energy: 0.926074060971416
Energy: 1.1122955388744218
Energy: 0.9156942701102453
Energy: 0.9156982493655239
Energy: 0.8279919476931439
Energy: 0.9161148945826385
Energy: 0.9925428792400492
Energy: 0.8594302444797512
Energy: 0.9651307670677156
Energy: 0.9573208841302457
Energy: 0.8358177916811261
Energy: 1.0231186059462236
Energy: 1.0208045078346322
Energy: 0.8749339330861449
Energy: 0.8830558024422458
Energy: 0.8764985021925398
Energy: 0.8757389079365441
Energy: 0.8753001813426609
Energy: 0.8833242893998757
Energy: 0.9216912188370913
Energy: 0.8938168558453122
Energy: 0.8748435818961298
Energy: 0.8224721647575687
Energy: 0.893487916463595
Energy: 0.8937200801000672
Energy: 0.9896521781241682
Energy: 0.8573874813560882
Energy: 0.7855881504726611
Energy: 0.7856263040733085
Energy: 0.8572781386515134
Energy: 0.868788481933081

minimum gb energy = 0.781977359408208 eV
minimum distance =  2.34031508006437 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.9691644171269918
Energy: 0.9671933764589455
Energy: 0.9700950706351394
Energy: 0.8700174470175285
Energy: 0.8323881712472894
Energy: 0.9680685175039416
Energy: 0.7814275255584723
Energy: 0.8327247312963983
Energy: 0.8326716184347172
Energy: 0.8059568590611563
Energy: 0.8327141884286442
Energy: 0.8327374002129544
Energy: 0.8792372423766112
Energy: 0.8327597147984368
Energy: 0.8327390628617635
Energy: 0.8048803953040218
Energy: 0.8327771064542682
Energy: 0.8330570047034187
Energy: 0.7813514318204628
Energy: 0.8328533469847818
Energy: 0.792119742781849
Energy: 0.8229581303344489
Energy: 0.8328552481482258
Energy: 0.7919865093791061
Energy: 0.9702041302805278
Energy: 0.779245046597411
Energy: 0.7907972199208861
Energy: 0.8328629212521865
Energy: 0.7785170177328219
Energy: 0.7926381568134959
Energy: 0.8339895602316526
Energy: 0.8713439234381313
Energy: 0.7795424417212071
Energy: 0.8344273107009279
Energy: 0.8711905576569354
Energy: 0.7794551091364592
Energy: 0.833151234024726
Energy: 0.792473305009162
Energy: 0.7918420119028075
Energy: 0.8326953858815127
Energy: 0.7925604386882056
Energy: 0.7922523480540297
Energy: 0.880410025726115
Energy: 0.7888404824954616
Energy: 0.7864861664551899
Energy: 0.8334507953894091
Energy: 0.7887612534799195
Energy: 0.8305343133965909
Energy: 0.8794659387313815
Energy: 0.7867503857887669
Energy: 0.7918082542679599
Energy: 0.8326921810032418
Energy: 0.7889514091631994
Energy: 0.7918024933047737
Energy: 0.7810952231818833
Energy: 0.8194499474351473
Energy: 0.8197710637483338
Energy: 0.8348408236449208
Energy: 0.8204140550051053
Energy: 0.8211840555338209
Energy: 0.879423671814058
Energy: 0.8325922823482259
Energy: 0.8332915898264394
Energy: 0.8339858153049026
Energy: 0.8310215348226998
Energy: 0.8363060523606058
Energy: 0.7814275412780027
Energy: 0.8335569753943015
Energy: 0.7919721446437604
Energy: 0.8054948451212115
Energy: 0.8331483632400555
Energy: 0.7918277305928344

minimum gb energy = 0.7785170177328219 eV
minimum distance =  2.38173899326644 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.443158720784543
Energy: 0.8627245611417471
Energy: 0.8260826539009251
Energy: 1.1821698382031842
Energy: 1.0053792585865409
Energy: 0.9107317144058705
Energy: 0.6972703787321307
Energy: 0.7312391073159632
Energy: 0.7315175282773059
Energy: 0.7220755532006422
Energy: 0.73145877274279
Energy: 0.718956823237708
Energy: 0.7506716077636933
Energy: 0.7325766039079247
Energy: 0.7321141375952398
Energy: 0.7461146576585275
Energy: 0.7325155127974573
Energy: 0.743892738174781
Energy: 0.7503679496280224
Energy: 0.700709388894716
Energy: 0.7456618590533077
Energy: 0.7316922555148623
Energy: 0.7282280865603389
Energy: 0.7303029327319019
Energy: 1.0083036060518824
Energy: 0.712882298656753
Energy: 0.700352673735195
Energy: 0.7557892138163961
Energy: 0.7239033132587719
Energy: 0.7042175559015253
Energy: 0.7556215859766251
Energy: 0.7151659763014875
Energy: 0.6949485826126167
Energy: 0.755631566781557
Energy: 0.713918315765901
Energy: 0.7765189328349327
Energy: 0.7554272828549204
Energy: 0.703941230557347
Energy: 0.7035427848976125
Energy: 0.7564429680667859
Energy: 0.7035601914297892
Energy: 0.7557796587556519
Energy: 0.7557623761831826
Energy: 0.7373088725817692
Energy: 0.7041022828798582
Energy: 0.7556519926469092
Energy: 0.7302635211797472
Energy: 0.7722145283249963
Energy: 1.0263129353481804
Energy: 0.740238683405469
Energy: 0.7531978695702422
Energy: 0.7635045093269465
Energy: 0.7406740306442323
Energy: 0.7323940009675607
Energy: 0.6972699559945614
Energy: 0.7308115032626705
Energy: 0.7813502626226039
Energy: 0.7181111130096753
Energy: 0.7403725411280984
Energy: 0.6924503153332839
Energy: 0.6972215668280793
Energy: 0.7554576710054864
Energy: 0.7555199856409635
Energy: 0.7295334573867468
Energy: 0.7556550558977462
Energy: 0.7018158360975868
Energy: 0.887603407168764
Energy: 0.7554105216074712
Energy: 0.7553437397766273
Energy: 0.7171131338879413
Energy: 0.7555431300470148
Energy: 0.7843681781364501
Energy: 1.275153330917558
Energy: 0.763286147934757
Energy: 0.8105679357111358
Energy: 0.759020805855578
Energy: 0.8431519170526907
Energy: 0.75737027861917
Energy: 0.8875584249721633
Energy: 0.755410943833043
Energy: 0.7480307046213024
Energy: 0.7181981253763389
Energy: 0.7557864237102837
Energy: 0.7483005643759487
Energy: 0.7312273188730722
Energy: 0.7430794137323374
Energy: 0.7418790164777943
Energy: 0.7317128569743085
Energy: 0.7415875541320545
Energy: 0.7468144610109444
Energy: 0.7312691258171762
Energy: 0.7270967551519869
Energy: 0.7260821087005555
Energy: 0.7316210629252186
Energy: 0.7423712336042287
Energy: 0.7320865737282175
Energy: 0.7311690890226962
Energy: 0.7017188081727997
Energy: 0.7030523027519583
Energy: 0.7313610097827717
Energy: 0.7149071522952172
Energy: 0.7411439953312481
Energy: 0.8522460538204294
Energy: 0.7165526890252621
Energy: 0.703227530603452
Energy: 0.7324498047818557
Energy: 0.7256323939115121
Energy: 0.7801242800569066
Energy: 0.7512645412636895
Energy: 0.7231422195955496
Energy: 0.7331579705627412
Energy: 0.7319895087833784
Energy: 0.7223819622869012
Energy: 0.7228089344056209
Energy: 0.7499915022476589
Energy: 0.722875574260183
Energy: 0.7249797023403112
Energy: 0.7220771406313938
Energy: 0.7216570164155164
Energy: 0.7205653559182617
Energy: 0.7504875349864941
Energy: 0.7462565393835892
Energy: 0.7428332683782136
Energy: 0.7447413780757737
Energy: 0.7325949762221375
Energy: 0.7239264425395842
Energy: 0.8089519926452609
Energy: 0.7316542044833556
Energy: 0.757188860389295
Energy: 0.7236261570634454
Energy: 0.7320203160162632
Energy: 0.693683222327403
Energy: 0.8093195662550652
Energy: 0.7314729860099035
Energy: 0.7322917812118226
Energy: 0.7235588241148839
Energy: 0.7314043235422621
Energy: 0.7029811934678519
Energy: 0.7499358302756525
Energy: 0.7325372102743318
Energy: 0.7327809683193397
Energy: 0.7448938486711747
Energy: 0.7321160750135065
Energy: 0.7451812627180066
Energy: 0.9536434456475938
Energy: 0.6990475081437499
Energy: 0.7607242195258866
Energy: 0.7436477741693869
Energy: 0.7317973551986672
Energy: 0.7425907703256073
Energy: 0.7502819729303152
Energy: 0.716740331715597
Energy: 0.7036040853441233
Energy: 0.7560075392002858
Energy: 0.7167692071524947
Energy: 0.7482537895869429
Energy: 0.7000950594026404
Energy: 0.8414114891293051
Energy: 0.7674344705325369
Energy: 0.700201487440924
Energy: 0.94214956665461
Energy: 0.7831040312299015
Energy: 0.755458012414968
Energy: 0.7038719653668959
Energy: 0.7044331308588847
Energy: 0.7554094654205786
Energy: 0.7171591006314731
Energy: 0.7409305306973155
Energy: 0.7556261758893804
Energy: 0.7184209981719508
Energy: 0.7014979631720001
Energy: 0.7556613972603137
Energy: 0.729151755125456
Energy: 0.7557340948257678
Energy: 0.927830931812281
Energy: 0.7367769610357144
Energy: 0.7011859610121496
Energy: 0.7627475932252582
Energy: 0.7301448748364348
Energy: 0.7003017513343912
Energy: 0.6971029147952263
Energy: 0.7737554374761862
Energy: 0.7363271188685467
Energy: 0.7298739745026195
Energy: 0.7561676522011391
Energy: 0.7416761066606516
Energy: 0.7015212681500564
Energy: 0.7556376999542456
Energy: 0.7558379100843056
Energy: 0.7184213131946909
Energy: 0.7555516780553488
Energy: 0.6938465645536693
Energy: 0.8872417442866561
Energy: 0.755723561704887
Energy: 0.7557315152227045
Energy: 0.749507071530143
Energy: 0.7562666296097993
Energy: 0.7724846344575264
Energy: 0.7546294917657042
Energy: 0.755430699164747
Energy: 0.7554949610828944
Energy: 0.7283429367429629
Energy: 0.7552639985480167
Energy: 0.6959166714322725
Energy: 0.7544754472142804
Energy: 0.7556873957225302
Energy: 0.74856755883468
Energy: 0.7274345752959083
Energy: 0.7557008852688925
Energy: 0.7043034510748283
Energy: 0.7567913402829256
Energy: 0.7406240577173338
Energy: 0.7279578331357461
Energy: 0.7509770298905264
Energy: 0.7403899146609988
Energy: 0.7450279732805152
Energy: 0.7331217108868956
Energy: 0.7439602805475242
Energy: 0.7200444780404932
Energy: 0.7323260462625064
Energy: 0.7400007622420023
Energy: 0.7319067974382013
Energy: 0.7317157946409067
Energy: 0.7217293715799585
Energy: 0.7210676011487607
Energy: 0.7315951095144032
Energy: 0.7209962090201436
Energy: 0.7321943593832798
Energy: 0.7312769014966661
Energy: 0.8010465900975005
Energy: 0.8170383861939448
Energy: 0.7318428622393047
Energy: 0.761333036683654
Energy: 0.780605441347993
Energy: 0.7498357833215653
Energy: 0.721671030551921
Energy: 0.7212711614171337
Energy: 0.7315863389135848
Energy: 0.7210873631860206
Energy: 0.7301638119263666
Energy: 0.7481013116073671
Energy: 0.7419998339494384
Energy: 0.7200026655058089
Energy: 0.7186838529205581
Energy: 0.7255848166235255
Energy: 0.7245869864282596
Energy: 0.7510292433124083
Energy: 0.7232715933325611
Energy: 0.7264223577447119
Energy: 0.7300757663042614
Energy: 0.7220164129395201
Energy: 0.7256888911221882
Energy: 0.8095308067090321
Energy: 0.7314406185713623
Energy: 0.7297841164012063
Energy: 0.7235434153611054
Energy: 0.7313661796416657
Energy: 0.702900622601737

minimum gb energy = 0.6924503153332839 eV
minimum distance =  2.39812652665315 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.37193577384886567
Energy: 0.38121609626040204
Energy: 0.37537083233366997
Energy: 0.37483070473226787
Energy: 0.4135490214203842
Energy: 0.424290026251702
Energy: 0.37314590209185994
Energy: 0.39290191657059326
Energy: 0.4342908987647522
Energy: 0.4127212334868636
Energy: 0.39204898761587526
Energy: 0.4317090970784798
Energy: 0.4535645408981529
Energy: 0.41777751656307754
Energy: 0.43660239919108296
Energy: 0.41435771098973484
Energy: 0.41381385303452134
Energy: 0.4336295817215048
Energy: 0.45374974566030735
Energy: 0.41809680266805743
Energy: 0.4383257294531881
Energy: 0.3912321648412749
Energy: 0.4142129274357274
Energy: 0.4333745004124926
Energy: 0.45016162048910363
Energy: 0.4113367810095943
Energy: 0.37507627658099646
Energy: 0.4152008846682838
Energy: 0.3734061286882626
Energy: 0.4331275073733438
Energy: 0.41421806470431366
Energy: 0.3736728103669898
Energy: 0.37672642348252455
Energy: 0.38964216204931174
Energy: 0.373057879340358
Energy: 0.42940951024586793
Energy: 0.40997672754052955
Energy: 0.3947713463127008
Energy: 0.43621832407192845
Energy: 0.41136172026240647
Energy: 0.3901287052212584
Energy: 0.434085185179821
Energy: 0.4137165943645633
Energy: 0.3973426145740382
Energy: 0.4367772663346614
Energy: 0.413730865516416
Energy: 0.39116063542877005
Energy: 0.4335800209788456
Energy: 0.45029120144664864
Energy: 0.38615792499779783
Energy: 0.43585647223782825
Energy: 0.4138355266049402
Energy: 0.41455902982675635
Energy: 0.43631850763316643
Energy: 0.37299412643522106
Energy: 0.43475051198526843
Energy: 0.3751886555030259
Energy: 0.37300901631801736
Energy: 0.41552607275757086
Energy: 0.42699995038355615
Energy: 0.3730787473187741
Energy: 0.4182868590772784
Energy: 0.42005256928352497
Energy: 0.37315038098435965
Energy: 0.38995482022756894
Energy: 0.37670870711321514
Energy: 0.45278906128289215
Energy: 0.39024235407328467
Energy: 0.4318996288064567
Energy: 0.3904647612310604
Energy: 0.41348628971024054
Energy: 0.43160816333888746
Energy: 0.4533171852097122
Energy: 0.3908128427940265
Energy: 0.3906630978380452
Energy: 0.4399862189187489
Energy: 0.45352300082987446
Energy: 0.3901976528194997
Energy: 0.4515011597333433
Energy: 0.39068951745548336
Energy: 0.43316142472538194
Energy: 0.41333065273111647
Energy: 0.4136832544148668
Energy: 0.4321324061567098
Energy: 0.45381398162755643
Energy: 0.3732716437870189
Energy: 0.42184914664201756
Energy: 0.39078894571869216
Energy: 0.3729233698092042
Energy: 0.42593953510812427
Energy: 0.4124832138288262
Energy: 0.41839163434094107
Energy: 0.43209558863905756
Energy: 0.41354730865520967
Energy: 0.3733213268858953
Energy: 0.43293843741480736
Energy: 0.4138810982948827
Energy: 0.4310988616936695
Energy: 0.43338843878958944
Energy: 0.41388942849205396
Energy: 0.39248132883662373
Energy: 0.4366777370038146
Energy: 0.4532164597921102
Energy: 0.39737661264266183
Energy: 0.43453975716730014
Energy: 0.45332043948784567
Energy: 0.3912665644939412
Energy: 0.4340327657123279
Energy: 0.3730703792711432
Energy: 0.39583449736492177
Energy: 0.43675895731164377
Energy: 0.3732617501891416
Energy: 0.3905217577797165
Energy: 0.43368621264883417

minimum gb energy = 0.37193577384886567 eV
minimum distance =  2.44695949689058 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.143261735667655
Energy: 0.618998945378825
Energy: 0.7304516250513063
Energy: 0.9628078067986348
Energy: 0.7230445429118912
Energy: 1.1642254500533522
Energy: 0.759199092216258
Energy: 0.6283009880617332
Energy: 0.6216933296231909
Energy: 0.6125382790158961
Energy: 0.5923103083308497
Energy: 0.6003930268571085
Energy: 0.5929178056965677
Energy: 0.5938798155381075
Energy: 0.593254152492032
Energy: 0.5942652860306027
Energy: 0.6085758485812724
Energy: 0.6009068833342124
Energy: 0.5927646045236076
Energy: 0.6238660986586233
Energy: 0.599621360816976
Energy: 0.5938126154049188
Energy: 0.6033304174078568
Energy: 0.614127850110519
Energy: 0.5929365335370941
Energy: 0.7100756140432473
Energy: 0.6473750495031582
Energy: 0.6113736321254939
Energy: 0.5989899310286403
Energy: 0.6022091599110193
Energy: 0.8018791569931715
Energy: 0.6722796581314314
Energy: 0.6570830766114637
Energy: 0.7011781154983828
Energy: 0.5987723970333451
Energy: 0.6501606995324197
Energy: 0.7264976024370999
Energy: 0.6147453404369002
Energy: 0.6170077968257358
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Energy: 0.6101021256712429
Energy: 0.600323628056502
Energy: 0.604948075100152
Energy: 0.670339384147357
Energy: 0.6700612229777828
Energy: 0.6094745829516971
Energy: 0.6701127551214988
Energy: 0.7039401383560581
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Energy: 0.6737214682440729
Energy: 0.6097284292130264
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Energy: 0.5986833430741267
Energy: 0.9892749925742106
Energy: 0.6564725310792511
Energy: 0.6502512932458365
Energy: 0.9010477653425709
Energy: 0.6493067540257272
Energy: 0.6569043650383627
Energy: 1.043601232829991
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Energy: 0.6486665724054124
Energy: 0.6022563544662063
Energy: 0.6606683654219593
Energy: 0.7120752287462275
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Energy: 0.6772135159540777
Energy: 0.5795622748124514
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Energy: 0.7987037515436904
Energy: 0.5789726776756411
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Energy: 0.7835251644549563
Energy: 0.5803104395381198
Energy: 0.6689915158535674
Energy: 0.7949774423065884
Energy: 0.7117754198768068
Energy: 0.710100664268163
Energy: 0.664061662973295
Energy: 0.7106150232204318
Energy: 0.7097887164120241
Energy: 0.7916534749320483
Energy: 0.9094048584116552
Energy: 0.8583064708374938
Energy: 0.7076104142086778
Energy: 0.8584736464276606
Energy: 0.661926303101953
Energy: 1.0160276195644813
Energy: 0.7116082202091663
Energy: 0.7103713557919192
Energy: 0.6106796154220586
Energy: 0.6784188082056406
Energy: 0.7097841607381963
Energy: 0.8471692976822638
Energy: 0.6576782254332602
Energy: 0.5921656912647218
Energy: 0.8107427626868702
Energy: 0.8398973165997653
Energy: 0.5919639273003461
Energy: 1.0799541137052804
Energy: 0.6544405972212649
Energy: 0.7083575830810324
Energy: 0.6103553108805547
Energy: 0.6530660090728887
Energy: 0.7102647636380547
Energy: 0.9646693424390842
Energy: 0.6012503716470442
Energy: 0.6144091708099088
Energy: 0.600461475899169
Energy: 0.674670923041554
Energy: 0.6765423320479826
Energy: 0.7263448281353431
Energy: 0.6768916906747863
Energy: 0.6742780205047264
Energy: 0.7155918862882418
Energy: 0.8108059675309838
Energy: 0.6744232951931272
Energy: 1.0140711045525013
Energy: 0.7120919709985726
Energy: 0.6475736647037051
Energy: 0.6240462452593588
Energy: 0.7152982611748447
Energy: 0.6479517186319842
Energy: 0.8383213204452362
Energy: 0.7707024116190043
Energy: 0.7762737563914907
Energy: 0.7828982141910181
Energy: 0.9555905072897505
Energy: 0.7089637503786799
Energy: 0.6796246368111434
Energy: 0.677309951593041
Energy: 0.6731417649791056
Energy: 0.5934964443675762
Energy: 0.6695065741087007
Energy: 0.6717411549897623
Energy: 0.6679062850564771
Energy: 0.7190873855433093
Energy: 0.6680191574766343
Energy: 0.6688014340138381
Energy: 0.5927556877176413
Energy: 0.6684710564982561
Energy: 0.6667629640656481
Energy: 0.6058820279988456
Energy: 0.6375488975345107
Energy: 0.6792466515721097
Energy: 0.5941377382471029
Energy: 0.593184345520049
Energy: 0.9938045803876971
Energy: 0.6092090072839
Energy: 0.5939857921636148
Energy: 0.5943166380403998
Energy: 0.6223510548267955
Energy: 0.5773763711086837

minimum gb energy = 0.5773763711086837 eV
minimum distance =  2.41092486897765 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.181553736703759
Energy: 0.6620025406788079
Energy: 0.6622185010511139
Energy: 0.9036758389850694
Energy: 0.7980686637554313
Energy: 0.9027353105841182
Energy: 0.7807865095654862
Energy: 0.6704045160351338
Energy: 0.6740545777039036
Energy: 0.6551756353104086
Energy: 0.6408474159632599
Energy: 0.6508077137672771
Energy: 0.6421760034669262
Energy: 0.6593154070409099
Energy: 0.6513908105358509
Energy: 0.6422154507043637
Energy: 0.6435306580494502
Energy: 0.6512310631188315
Energy: 0.642788596184129
Energy: 0.668931525480891
Energy: 0.6514527329662908
Energy: 0.6427943673783051
Energy: 0.6596785754012976
Energy: 0.6597191342056065
Energy: 0.6402682448930633
Energy: 0.6629900336164829
Energy: 0.651773490321214
Energy: 0.6534879564653855
Energy: 0.6611913757624374
Energy: 0.748822740842603
Energy: 0.9133511551100317
Energy: 0.7576351080991605
Energy: 0.7555101203095047
Energy: 0.6404717152007989
Energy: 0.7608812088962696
Energy: 0.76937937467903
Energy: 0.8552347159142366
Energy: 0.6605532807423681
Energy: 0.6609920643868556
Energy: 0.6412493847196925
Energy: 0.6722113589067913
Energy: 0.6529046977005353
Energy: 0.6598317935481574
Energy: 0.7690097131818299
Energy: 0.7675450387545368
Energy: 0.6857228744350575
Energy: 0.7688713014551319
Energy: 0.6179615931134878
Energy: 0.9123486841205507
Energy: 0.6524679502430957
Energy: 0.6513595668129917
Energy: 0.6463467628386299
Energy: 0.6609190307161915
Energy: 0.6514966830167107
Energy: 0.8495828901600027
Energy: 0.7718514327933004
Energy: 0.7715072168212935
Energy: 0.8178093406763495
Energy: 0.7602596052470753
Energy: 0.7721087280952491
Energy: 0.85056228283157
Energy: 0.7570965912809668
Energy: 0.6548671682720235
Energy: 0.82021325533966
Energy: 0.771562019093949
Energy: 0.660432732319856
Energy: 1.0367917582358377
Energy: 0.618382090849967
Energy: 0.6177481716243282
Energy: 0.7777964311343671
Energy: 0.6188516493287074
Energy: 0.6508508402150219
Energy: 0.7599619514609698
Energy: 0.6175207080031428
Energy: 0.8920181383666484
Energy: 0.7601464983470034
Energy: 0.6190948633297074
Energy: 0.8898376788681431
Energy: 0.7514271470059414
Energy: 0.6624933759000197
Energy: 0.6589593415149343
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Energy: 0.6417030548872247
Energy: 0.6528064217952328
Energy: 0.7661940403900154
Energy: 0.7719812429645442
Energy: 0.762607901541045
Energy: 0.7665841569930745
Energy: 0.7614417404202718
Energy: 0.7668999676691589
Energy: 0.6401829362687974
Energy: 0.6635437507720447
Energy: 0.6518957752192146
Energy: 0.6742355815714146
Energy: 0.640953460394111
Energy: 0.65151373096659
Energy: 1.0395730834123296
Energy: 0.669567886980144
Energy: 0.6433702458425838
Energy: 0.927412900280555
Energy: 0.6568652309433451
Energy: 0.8937514852491852
Energy: 0.9011284458626034
Energy: 0.6731129068202194
Energy: 0.6611247901414827
Energy: 0.6184623597506759
Energy: 0.6537458755210809
Energy: 0.6189397558330864
Energy: 0.64298636295474
Energy: 0.6563955045545541
Energy: 0.6624387270846269
Energy: 0.6426079815015453
Energy: 0.6435352613613272
Energy: 0.6517218251007812
Energy: 0.6415092390697495
Energy: 0.659998341184188
Energy: 0.6515286188306627
Energy: 0.641683487939601
Energy: 0.6428629771482997
Energy: 0.6513484869313843
Energy: 0.6403515664445149
Energy: 0.6516481099125057
Energy: 0.6513584327613373
Energy: 0.6407041064559428
Energy: 0.6606026874153924
Energy: 0.6506429682297258
Energy: 1.115238041484957
Energy: 0.7718271826966855
Energy: 0.7722002799943419
Energy: 0.7982739260509365
Energy: 0.7719166234159482
Energy: 0.7719063731292996
Energy: 0.9123757654896453
Energy: 0.6593892965942917
Energy: 0.6533360160552164
Energy: 0.6426371049625557
Energy: 0.6614371771576675
Energy: 0.6515997853141948
Energy: 0.6595867044928782
Energy: 0.7562602837880674
Energy: 0.7563880759448964
Energy: 0.6857459310632424
Energy: 0.7661842068276058
Energy: 0.6180272705475057
Energy: 0.8552496066330671
Energy: 0.661968763920374
Energy: 0.6597707777264935
Energy: 0.654579871781275
Energy: 0.6607334177504064
Energy: 0.6532978658560435
Energy: 0.8501835510390915
Energy: 0.7719440505369993
Energy: 0.661769778045544
Energy: 0.8203686703983711
Energy: 0.7720082878220151
Energy: 0.6517037177336729
Energy: 0.8495926744454372
Energy: 0.771350302720871
Energy: 0.7570347963069406
Energy: 0.8180895716625408
Energy: 0.7605309610469041
Energy: 0.7732394352718811
Energy: 1.0355181929828736
Energy: 0.6448516284760537
Energy: 0.6593237929172736
Energy: 0.6566795961461838
Energy: 0.6325747539753824
Energy: 0.6628831486731055
Energy: 0.7609301987025695
Energy: 0.8958521289309017
Energy: 0.8902059006387929
Energy: 0.760940659609039
Energy: 0.900971193789165
Energy: 0.8900271988810735
Energy: 0.7505181121077101
Energy: 0.662334323470919
Energy: 0.6547236759100766
Energy: 0.728387941425791
Energy: 0.6599862827500073
Energy: 0.6541438535830952
Energy: 0.7608869968495754
Energy: 0.7569597948228481
Energy: 0.76171106267352
Energy: 0.7610089901676148
Energy: 0.7626321085249037
Energy: 0.7609150313064323
Energy: 0.7610017675807399
Energy: 0.6625541526833608
Energy: 0.6606021081204821
Energy: 0.7721905018345778
Energy: 0.6419729996105825
Energy: 0.6614087314623152
Energy: 1.0394949600282517
Energy: 0.6725366797909353
Energy: 0.6189998722678312
Energy: 0.9280151856164295
Energy: 0.6700066240518365
Energy: 0.618901028520338

minimum gb energy = 0.6175207080031428 eV
minimum distance =  2.41119244153761 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.7631389585589176
Energy: 1.0594139767084407
Energy: 1.058601352198343
Energy: 0.6805009256405097
Energy: 0.9337332910176723
Energy: 1.0703413279004945
Energy: 1.0293818034609097
Energy: 0.7067940030680141
Energy: 0.6877661407450285
Energy: 0.7090592819696029
Energy: 0.693031625151961
Energy: 0.6862914859566182
Energy: 0.6943356608242478
Energy: 0.6871848173191771
Energy: 0.6875183600770405
Energy: 0.6944653623709973
Energy: 0.6872366586954072
Energy: 0.6929565847798052
Energy: 0.6945536385757016
Energy: 0.6919074524296727
Energy: 0.6917769377371118
Energy: 0.6948171031761772
Energy: 0.6875870656717091
Energy: 0.6910982012414904
Energy: 0.6940671711023918
Energy: 0.6650203668334681
Energy: 0.6651075372403418
Energy: 0.7119777967847033
Energy: 0.7125235914123794
Energy: 0.6652330363035821
Energy: 0.892782686613082
Energy: 0.8621515108007989
Energy: 0.6646173340821101
Energy: 0.8854048395500366
Energy: 0.9017756710643385
Energy: 0.664509550263041
Energy: 1.0346022522613694
Energy: 0.6659849272101587
Energy: 0.7100853877012043
Energy: 0.694577414326417
Energy: 0.7039830248029146
Energy: 0.7088775002083738
Energy: 0.7194858502334803
Energy: 0.6670113708996367
Energy: 0.6693257758483138
Energy: 0.6634753460750578
Energy: 0.6675436403838513
Energy: 0.6687251749971843
Energy: 0.7220891596607663
Energy: 0.6646178178574385
Energy: 0.6654706622904719
Energy: 0.7498859451592109
Energy: 0.6645031769796688
Energy: 0.6669132128177313
Energy: 0.9902079296166802
Energy: 0.6673901777357085
Energy: 0.6671439180533747
Energy: 0.7093881074952473
Energy: 0.6674344322137193
Energy: 0.6867905463072531
Energy: 0.9901239847892951
Energy: 0.6862071922825561
Energy: 0.6876626371807903
Energy: 0.6949898836461789
Energy: 0.7044801211505242
Energy: 0.6896339791818415
Energy: 0.8919968950707198
Energy: 0.6660399132499153
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Energy: 0.6948739220805044
Energy: 0.671746318303306
Energy: 0.6630067793889882
Energy: 0.6968089782291873
Energy: 0.6670176578361233
Energy: 0.7017812177704594
Energy: 0.695968001134009
Energy: 0.6665133915404352
Energy: 0.7040087795384516
Energy: 0.6970100503398018
Energy: 0.7107438142094054
Energy: 0.689107699687154
Energy: 0.6942833137106534
Energy: 0.7107323799764382
Energy: 0.6878359989347289
Energy: 0.6666937996803584
Energy: 0.6886754610133929
Energy: 0.688306699416841
Energy: 0.6872603162142319
Energy: 0.6885128136571002
Energy: 0.6887633368905136
Energy: 0.6930569353943763
Energy: 0.7074073728245913
Energy: 0.6904278061019726
Energy: 0.7299053895086721
Energy: 0.6937586607669339
Energy: 0.7084994689371599
Energy: 0.9851354661364174
Energy: 0.6978280010030016
Energy: 0.8653463300036099
Energy: 0.9021077218846857
Energy: 0.8853653684100751
Energy: 0.8609628020478219
Energy: 0.9867152375901451
Energy: 0.6932203185374827
Energy: 0.6650817860246668
Energy: 0.6993836231748322
Energy: 0.712038900138989
Energy: 0.6654181378380485
Energy: 0.8653354777154947
Energy: 0.6636009791003452
Energy: 0.6639430948781747
Energy: 0.6661688812555039
Energy: 0.6653549300213829
Energy: 0.6921028524544696
Energy: 0.8601127516861246
Energy: 0.6647024373555384
Energy: 0.6670117253827105
Energy: 0.6659800128255025
Energy: 0.7356570696331525
Energy: 0.6922672363069763
Energy: 0.6647089678622402
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Energy: 0.7299360780184537
Energy: 0.6658866821102023
Energy: 0.8666389831265536
Energy: 0.684972062262162
Energy: 0.667193534830221
Energy: 0.8670384098745146
Energy: 0.8646847835907933
Energy: 0.6671006918489515
Energy: 1.003837327968831
Energy: 0.7074195251041141
Energy: 0.6882322248367723
Energy: 0.6850623297355147
Energy: 0.7129901669900722
Energy: 0.6665373427274878
Energy: 0.7227967330618688
Energy: 0.8892933050860353
Energy: 0.6624708927879134
Energy: 1.0616750549001965
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Energy: 0.666998739468671
Energy: 1.3413311641961148
Energy: 0.7272359694854471
Energy: 0.7088629346267021
Energy: 0.687202273741641
Energy: 0.7122560051835951
Energy: 0.6880906904181228
Energy: 0.6948262739828615
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Energy: 0.6924299706491244
Energy: 0.6928456364778547
Energy: 0.6943932193956522
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Energy: 0.9901962637845106
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Energy: 0.7084939994670333
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Energy: 0.7081252877739095
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Energy: 0.8610068717783084
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Energy: 0.6651506224605029
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Energy: 0.663812586267438
Energy: 0.6666694535518813
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Energy: 0.6641271447723126
Energy: 0.6693746438061255
Energy: 0.6665544052911766
Energy: 0.6643044070623824
Energy: 0.7378668597599013
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Energy: 0.8701617979990949
Energy: 0.6851938305457561
Energy: 0.6672859843978737
Energy: 0.8703407236684237
Energy: 0.8646838382939147
Energy: 0.8725835758654552
Energy: 0.6930488972283024
Energy: 0.6866520592995059
Energy: 0.6935485852496328
Energy: 0.6845177685815623
Energy: 0.6948362006538833
Energy: 0.7099331557121323
Energy: 1.2575242594049592
Energy: 0.6894238931068363
Energy: 0.6627464539490621
Energy: 0.6657070361084374
Energy: 0.902707593910858
Energy: 0.6843180748625648

minimum gb energy = 0.6624708927879134 eV
minimum distance =  2.43123528532309 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.0359133490035852
Energy: 0.7371604746515611
Energy: 0.7366346729701352
Energy: 0.7373064343441947
Energy: 0.7489198459163989
Energy: 0.7365983931190078
Energy: 0.7820973461384467
Energy: 0.725517361408271
Energy: 0.7250189917039819
Energy: 0.7272457796339915
Energy: 0.7259842831397423
Energy: 0.7248102950800241
Energy: 0.744510784201672
Energy: 0.696280220816067
Energy: 0.7275389253588168
Energy: 0.7271988626785256
Energy: 0.6974479354714597
Energy: 0.7275972679566152
Energy: 0.7454524896597773
Energy: 0.7261393469316333
Energy: 0.7262648938429608
Energy: 0.7457678969654572
Energy: 0.7260890131795167
Energy: 0.7264023485635217
Energy: 0.7456661091673873
Energy: 0.7269266349716151
Energy: 0.7267361842244254
Energy: 0.7457177096607759
Energy: 0.7263558103449411
Energy: 0.7285482441966206
Energy: 0.7485585033311123
Energy: 0.7408049659097039
Energy: 0.727784149250204
Energy: 0.7484847857918964
Energy: 0.7406051369464622
Energy: 0.7479794201753935
Energy: 0.782317146773685
Energy: 0.725722881745469
Energy: 0.7253389137932315
Energy: 0.7824795965996466
Energy: 0.7260455135106795
Energy: 0.7250696202333079

minimum gb energy = 0.696280220816067 eV
minimum distance =  2.4328050132733 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.2828308019718144
Energy: 0.8681986153369265
Energy: 0.805786053796651
Energy: 0.7939864763853015
Energy: 0.90908526773705
Energy: 0.806150394823205
Energy: 0.8254980791580414
Energy: 0.8199387647029208
Energy: 0.8233511699240106
Energy: 0.843362440326149
Energy: 0.883169978652615
Energy: 0.8106485017007434
Energy: 0.8220397625741359
Energy: 0.8094171893374279
Energy: 0.8166260492568329
Energy: 0.8237832104769011
Energy: 0.8260388824012771
Energy: 0.8587962245861618
Energy: 0.8241839153242333
Energy: 0.8129611803585094
Energy: 0.8129846679661038
Energy: 0.8246570032678139
Energy: 0.8167102359002881
Energy: 0.8204416622845264
Energy: 0.8316821144132601
Energy: 0.8336450211181485
Energy: 0.8349808532163363
Energy: 0.8129277518467845
Energy: 0.8352964787863074
Energy: 0.8208402393399411
Energy: 0.8274026203466956
Energy: 0.8358183991996027
Energy: 0.7993792324852783
Energy: 0.8435743515298468
Energy: 0.842810670833433
Energy: 0.804125838282539
Energy: 0.8118117370878957
Energy: 0.8387533561134238
Energy: 0.8168925774038642
Energy: 0.7963842743726968
Energy: 0.8473795388935585
Energy: 0.8169899593001663
Energy: 0.911718474737482
Energy: 0.9367450667420499
Energy: 0.7993104458109564
Energy: 0.8598769000924148
Energy: 0.9359557107525793
Energy: 0.804615657113444
Energy: 0.8137178096180758
Energy: 0.8267892176673917
Energy: 0.8178349300449913
Energy: 0.8197834422046779
Energy: 0.8669865262040614
Energy: 0.8470470915602506
Energy: 0.9520192802161586
Energy: 0.8742176690565127
Energy: 0.8739383398145187
Energy: 0.8876416092850195
Energy: 0.8747465752165171
Energy: 0.8103482482958322
Energy: 0.8941702002639461
Energy: 0.8646977433004623
Energy: 0.8636518404753413
Energy: 0.8657915514490934
Energy: 0.8168746188281895
Energy: 0.8329515392866725
Energy: 0.8394753592758439
Energy: 0.8241058205740374
Energy: 0.8039732315855276
Energy: 0.8386011087844062
Energy: 0.7997968163981297
Energy: 0.806585375058574
Energy: 0.814803622899228
Energy: 0.8218935502205807
Energy: 0.8041647822209024
Energy: 0.8210295995734188
Energy: 0.8095895033461975
Energy: 0.8358116361940048
Energy: 0.8682226572837856
Energy: 0.8301258191458946
Energy: 0.8354254060476375
Energy: 0.8338313127410409
Energy: 0.8268903714555581
Energy: 0.8356062456161628
Energy: 0.8462882638284013
Energy: 0.8245012591541596
Energy: 0.8218915871819581
Energy: 0.8028944836064896
Energy: 0.8243294082350764
Energy: 0.8212917722464915
Energy: 0.9098905989635149
Energy: 0.8461336084351185
Energy: 0.8459715089764552
Energy: 0.9100610003838409
Energy: 0.8456292034297194
Energy: 0.846087106630809
Energy: 0.9114850518067632
Energy: 0.8455455790000537
Energy: 0.8456563142264876
Energy: 0.91206483999487
Energy: 0.8549768280425469
Energy: 0.8419369476611791
Energy: 0.8929624717209499
Energy: 0.8417577532610312
Energy: 0.8546121628874395
Energy: 0.8842422433429752
Energy: 0.8411881690336601
Energy: 0.8249366293735773
Energy: 0.9508966047544141
Energy: 0.8469297545883608
Energy: 0.8469075387846366
Energy: 0.8747980713506454
Energy: 0.8455330736613675
Energy: 0.8717637648813866
Energy: 0.8683320300954572
Energy: 0.8006174665827561
Energy: 0.8537954966139497
Energy: 0.8745805150804656
Energy: 0.8001623008860118
Energy: 0.8715557057759932
Energy: 0.8081596571220445
Energy: 0.8201554168476671
Energy: 0.8289083874186295
Energy: 0.8076807579666956
Energy: 0.8086791061144528
Energy: 0.8214612255810739
Energy: 0.8088208162012439
Energy: 0.8285681161786467
Energy: 0.8302276257725577
Energy: 0.8260402382250615
Energy: 0.8292904620025311
Energy: 0.8299857292721887
Energy: 0.8102432255079497
Energy: 0.8231117423596543
Energy: 0.8264081888481619
Energy: 0.8106231392029175
Energy: 0.8198757331241074
Energy: 0.8256223688255937
Energy: 0.7980360843471094
Energy: 0.8588134848077594
Energy: 0.8585488758528648
Energy: 0.7979866180646396
Energy: 0.8587831778557942
Energy: 0.799184111369663
Energy: 0.8276564240445027
Energy: 0.8108244495555447
Energy: 0.8706926388799336
Energy: 0.8424067445903786
Energy: 0.8092533417399219
Energy: 0.849235249655097
Energy: 0.952247551346428
Energy: 0.8592875415429836
Energy: 0.8077616233785274
Energy: 0.8606200718474892
Energy: 0.8690334616803945
Energy: 0.8139611835497101
Energy: 1.0802175364566469
Energy: 0.8596725395492674
Energy: 0.8081117943084742
Energy: 0.8616230623130912
Energy: 0.8693113689259667
Energy: 0.8285473182789338
Energy: 0.8158559620253133
Energy: 0.8106776919851582
Energy: 0.846306655891427
Energy: 0.8458599219215052
Energy: 0.811593184546844
Energy: 0.8512972347351879
Energy: 0.8125981054990264
Energy: 0.8450319089652581
Energy: 0.8238622069240178
Energy: 0.82080126791373
Energy: 0.8467726081468081
Energy: 0.8216605149072617
Energy: 0.8267787985970165
Energy: 0.8368944611679028
Energy: 0.8379076670627829
Energy: 0.8282938949093827
Energy: 0.8366258170508889
Energy: 0.8417398801057593
Energy: 0.8246993234958385
Energy: 0.8487657014003201
Energy: 0.8490770412018573
Energy: 0.8232216950534645
Energy: 0.8112229176806224
Energy: 0.8495311730931014
Energy: 0.8289317554389066
Energy: 0.8170394086916165
Energy: 0.8190060832595341
Energy: 0.7929130296356892
Energy: 0.8400636775165184
Energy: 0.8201090994649312
Energy: 0.9101355633586368
Energy: 0.8426574269327836
Energy: 0.8338687072418026
Energy: 0.8591851763184942
Energy: 0.842348953844224
Energy: 0.842403833218558
Energy: 1.0227565523002522
Energy: 0.8628791967084875
Energy: 0.8364896342511832
Energy: 0.8482404874222995
Energy: 0.8559597197041428
Energy: 0.8179465484875177
Energy: 0.8032205214600586
Energy: 0.8235840497677904
Energy: 0.8394377070048179
Energy: 0.8661771701699861
Energy: 0.8152610218805799
Energy: 0.8533459155550102
Energy: 0.840597201364776
Energy: 0.8742199095349013
Energy: 0.873919237000492
Energy: 0.8409590652284389
Energy: 0.8748184773289772
Energy: 0.8105477367158992
Energy: 0.8452393854571626
Energy: 0.824820657678924
Energy: 0.8214961687261447
Energy: 0.8464343165350356
Energy: 0.797389629846611
Energy: 0.8202237356251602
Energy: 0.8158277532345659
Energy: 0.8223061864126879
Energy: 0.8031707156442085
Energy: 0.8266674452983799
Energy: 0.8188890928858211
Energy: 0.8000670056676529
Energy: 0.7988496391657544
Energy: 0.8266154484945177
Energy: 0.8278618971880367
Energy: 0.8522081666953805
Energy: 0.828707832846539
Energy: 0.85104676221547
Energy: 0.845046639875349
Energy: 0.8212102466542028
Energy: 0.8499357221516204
Energy: 0.8029131709499558
Energy: 0.8205707220364985
Energy: 0.8596004122168127
Energy: 0.9113976050977733
Energy: 0.8469337469995656
Energy: 0.8466140168090384
Energy: 0.8342910529442801
Energy: 0.8512912765353038
Energy: 0.8465315939501049
Energy: 0.9692245353373516
Energy: 0.8487073541317645
Energy: 0.8190985695255727
Energy: 0.9403295478013359
Energy: 0.8591441172203045
Energy: 0.8332571155615263
Energy: 0.8932967636443548
Energy: 0.8437681695021245
Energy: 0.8444598676039421
Energy: 0.9400484409061299
Energy: 0.8605839111754666
Energy: 0.8333674334099597
Energy: 0.8973487383331458
Energy: 0.8466858323872454
Energy: 0.846600761886994
Energy: 0.846517906464262
Energy: 0.8583592749876578
Energy: 0.8476840979152106
Energy: 1.1413547404271935
Energy: 0.7974426203934964
Energy: 0.8315414370843839
Energy: 0.8810559434926865
Energy: 0.7973573376528044
Energy: 0.7891338223431851
Energy: 0.8106121104042208
Energy: 0.8172174704859665
Energy: 0.8166510560887601
Energy: 0.8110936007868638
Energy: 0.8108622170540946
Energy: 0.8224903465023221
Energy: 0.8088166948063039
Energy: 0.8244037313844479
Energy: 0.8220435521346551
Energy: 0.8263538111323399
Energy: 0.8253435428304531
Energy: 0.826721839883704
Energy: 0.808597029873869
Energy: 0.8283942758949299
Energy: 0.8291282808379086
Energy: 0.8088286742868751
Energy: 0.8204855543429356
Energy: 0.8292824860122479
Energy: 0.8067593897093819
Energy: 0.8508357402093152
Energy: 0.8538367325711348
Energy: 0.8073318806019286
Energy: 0.8589271480123513
Energy: 0.8533529035849258
Energy: 0.8211260000368168
Energy: 0.8586144988264071
Energy: 0.858722086664791
Energy: 0.8905187444120222
Energy: 0.8654700292740316
Energy: 0.8443199769412405
Energy: 0.8194179896782608
Energy: 0.828675024640769
Energy: 0.8317063850398897
Energy: 0.8241523664327977
Energy: 0.8829390690334754
Energy: 0.8278093040806783

minimum gb energy = 0.7891338223431851 eV
minimum distance =  2.33705317146162 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.405549443952082
Energy: 0.847967523751414
Energy: 0.7487481587505198
Energy: 0.7483189916781737
Energy: 0.812100889528108
Energy: 0.8312793142991696
Energy: 0.8379279957018189
Energy: 0.8029170055434717
Energy: 0.8023180730874535
Energy: 0.7962405082206031
Energy: 0.802579540034359
Energy: 0.8028601054991297
Energy: 0.9316672252678078
Energy: 0.8332180085329061
Energy: 0.8303677298935244
Energy: 0.8110793674602993
Energy: 0.8325174258804391
Energy: 0.9516971902216417
Energy: 0.8815669258732803
Energy: 0.832557488156483
Energy: 0.9055167322618427
Energy: 0.8817127338029559
Energy: 0.832492334270845
Energy: 0.8146618803507168
Energy: 0.8828360521622832
Energy: 0.8921491543890555
Energy: 0.891398397919421
Energy: 0.8839250243452101
Energy: 0.89294958706098
Energy: 0.8906590876484038
Energy: 0.8823530055301911
Energy: 0.8855728578356267
Energy: 0.885687150187742
Energy: 0.8914044304666305
Energy: 0.8866334734446839
Energy: 0.8868477902318704
Energy: 0.852149814772744
Energy: 0.9399886224828401
Energy: 0.8563213603618816
Energy: 0.8402414884153003
Energy: 0.9830983804531097
Energy: 0.8859887394312359
Energy: 0.8375189468307626
Energy: 0.9744673264990019
Energy: 1.0694756980708444
Energy: 0.8175780093952607
Energy: 0.9597668927604669
Energy: 0.8178408354889865
Energy: 0.8527985346725655
Energy: 0.8778431612555286
Energy: 0.8569517722559239
Energy: 0.8251725365399795
Energy: 0.8801758532215287
Energy: 0.830308433558012
Energy: 0.9836063766720727
Energy: 0.7894907421281894
Energy: 0.7894236480262785
Energy: 0.9752957098875895
Energy: 0.7519642125116104
Energy: 0.7513405770826954
Energy: 0.8748853091965896
Energy: 0.789373515029815
Energy: 0.789380411752871
Energy: 0.8368196227392174
Energy: 0.7501907544416245
Energy: 0.8310439260663859
Energy: 0.8288187354796508
Energy: 0.9553152087078245
Energy: 0.9624941514721063
Energy: 0.8276195582705225
Energy: 0.8849880345103821
Energy: 0.8787105240799606
Energy: 0.828896034162099
Energy: 0.9054142579082077
Energy: 0.9289927341734315
Energy: 0.8323211580480326
Energy: 0.9058339385670425
Energy: 0.8307181118013162
Energy: 0.8844648701305171
Energy: 0.8847754238769597
Energy: 0.8859955846229343
Energy: 0.8979283608625017
Energy: 0.8852229494329084
Energy: 0.8865835034931796
Energy: 0.8860444256761092
Energy: 0.9782133322824749
Energy: 0.8792384758507173
Energy: 0.8796438384366934
Energy: 0.8855794881959935
Energy: 0.8801736501170824
Energy: 0.9845699664439538
Energy: 0.8805011755384637
Energy: 0.8792081384445455
Energy: 0.9474639812738922
Energy: 0.8804275302010925
Energy: 0.8789074697439258
Energy: 0.9828913997936685
Energy: 0.8171749236355923
Energy: 0.8168003909572444
Energy: 0.9831668169388389
Energy: 0.8174539197420062
Energy: 0.8164245391922673
Energy: 0.9726785469107295
Energy: 0.9134672005259673
Energy: 0.9133302914533156
Energy: 1.0645024632836917
Energy: 0.853370763940474
Energy: 0.9137864901343111
Energy: 0.8894212354570483
Energy: 0.856036439286984
Energy: 0.7513937349099935
Energy: 0.7501406400615596
Energy: 0.8691863545707482
Energy: 0.7515177380440937
Energy: 0.7527442030061073
Energy: 0.8564580772485285
Energy: 0.7513339433104862
Energy: 0.7495021589330206
Energy: 0.9364739497838389
Energy: 0.7516112487610074
Energy: 0.8535109412352446
Energy: 0.8747885026436623
Energy: 0.9400237800731236
Energy: 0.9437136025909425
Energy: 0.9142765101614604
Energy: 0.9382571430297417
Energy: 0.8816129364895421
Energy: 0.8328520164954498
Energy: 0.8324153974520886
Energy: 0.902732451110072
Energy: 0.8320667546462441
Energy: 0.8320800814188118
Energy: 0.8807767466914127
Energy: 0.8905288573623313
Energy: 0.8904910486394854
Energy: 0.8813396200987507
Energy: 0.8906239080571469
Energy: 0.8801846869865784
Energy: 0.8817103458956778
Energy: 0.8798735665407686
Energy: 0.8799368025611807
Energy: 0.8803105038983485
Energy: 0.882236892717883
Energy: 0.8806744789358599
Energy: 0.8826866626449953
Energy: 0.930476599639398
Energy: 0.8875772464417324
Energy: 0.8843733935792295
Energy: 0.8871760867095176
Energy: 0.8862539375072326
Energy: 0.9589372108675557
Energy: 0.9881665593166742
Energy: 0.9755082315867494
Energy: 0.8175749539547081
Energy: 0.9881757860112571
Energy: 0.9343206843253353
Energy: 0.9565711327742698
Energy: 0.9788852003749943
Energy: 0.9351632989120163
Energy: 0.8164133624005728
Energy: 0.9814714709988407
Energy: 1.0048201219864787
Energy: 0.8719194474431181
Energy: 0.7497517804438251
Energy: 0.833564321086913
Energy: 0.8622018222730099
Energy: 0.8023140218610969
Energy: 0.831157873527268
Energy: 0.881716577478418
Energy: 0.7500109532879938
Energy: 0.750629792906887
Energy: 0.8761831066094999
Energy: 0.7897112415525195
Energy: 0.7896423151067963
Energy: 0.8620416508644595
Energy: 0.8773025293732143
Energy: 0.8991695956934888
Energy: 0.8252906548764515
Energy: 0.9077060182586814
Energy: 0.8497011747773873
Energy: 0.8287417040565747
Energy: 0.9119432739089744
Energy: 0.8964763563837898
Energy: 0.8326480573376004
Energy: 0.9874596628247351
Energy: 0.8322572293537024
Energy: 0.8566834153529304
Energy: 0.8781236484777709
Energy: 0.9008012910991325
Energy: 0.8389413435994703
Energy: 0.8778378157933951
Energy: 0.8565430733342739
Energy: 1.009897866136131
Energy: 0.8811600998199793
Energy: 0.8832608354003599
Energy: 0.8926681804711372
Energy: 0.8809583148330157
Energy: 0.880386282396329
Energy: 1.009788357103484
Energy: 0.8891817890402769
Energy: 0.8927731979616669
Energy: 0.8944187767803283
Energy: 0.8927976077153887
Energy: 0.8905042489001216
Energy: 1.0089450299262432
Energy: 0.8029560232055336
Energy: 0.8937632099965002
Energy: 1.009496787575358
Energy: 0.8161004466347526
Energy: 0.860772786358413
Energy: 1.0432762389084151
Energy: 0.8169485477875414
Energy: 0.8171265417666971
Energy: 0.9268149525199147
Energy: 0.8176407295303588
Energy: 0.9972820556311327
Energy: 1.076432297035867
Energy: 0.8036956168154322
Energy: 0.8025741717806609
Energy: 0.8592030581530731
Energy: 0.802279567435231
Energy: 0.8025826850230716
Energy: 0.9776113409684406
Energy: 0.8110433998495467
Energy: 0.7491172022119339
Energy: 0.7501966252146266
Energy: 0.8129658951056977
Energy: 0.8296768227248569

minimum gb energy = 0.7483189916781737 eV
minimum distance =  2.33716850303117 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.3850768813490941
Energy: 0.8927864423492531
Energy: 0.833173588109764
Energy: 0.9280993555342043
Energy: 1.0019377431888443
Energy: 0.9281121056412324
Energy: 0.8451980087328841
Energy: 0.8235414405232532
Energy: 0.822331936121412
Energy: 0.8232653725183819
Energy: 0.81379235655596
Energy: 0.7947203317108803
Energy: 0.7722607995983146
Energy: 0.8319405508812187
Energy: 0.8395828695085987
Energy: 0.9189679826812507
Energy: 0.8533044930966169
Energy: 0.8647033847988662
Energy: 0.7859764491709876
Energy: 0.8521160026252161
Energy: 0.8259084497589364
Energy: 0.7860283460084275
Energy: 0.8522667567960202
Energy: 0.8260377553189493
Energy: 0.7857928740049497
Energy: 0.801845534490462
Energy: 0.801959811863704
Energy: 0.7859202748758902
Energy: 0.8015777840968792
Energy: 0.8008546784169739
Energy: 0.7855920448940148
Energy: 0.8018494295757559
Energy: 0.8025239281197739
Energy: 0.801372447921588
Energy: 0.8040148169293534
Energy: 0.802670594901289
Energy: 0.7763591328773817
Energy: 0.7860846154666068
Energy: 0.786139162926332
Energy: 0.8167817173441023
Energy: 0.7861037137739569
Energy: 0.7904684450129346
Energy: 0.8531058516506624
Energy: 0.8259094268314502
Energy: 0.8391640771491838
Energy: 0.830886977885356
Energy: 0.8256851471449151
Energy: 0.8261835776943097
Energy: 0.7764153654316596
Energy: 0.8259910373008139
Energy: 0.8254110404322077
Energy: 0.7824980857388792
Energy: 0.7868837448214624
Energy: 0.8391129494806532
Energy: 0.7767635178085848
Energy: 0.8865974101221288
Energy: 0.8830641774598398
Energy: 0.8644654757592588
Energy: 0.8706230485375511
Energy: 0.8835113534158442
Energy: 0.7938083343345895
Energy: 0.8470012988872526
Energy: 0.8245553558715387
Energy: 0.8059080684910614
Energy: 0.8273653400891005
Energy: 0.8193756243522828
Energy: 0.7808470492990499
Energy: 0.858996524309708
Energy: 0.8588430824540622
Energy: 0.798958917146679
Energy: 0.8230651336001197
Energy: 0.870123353728673
Energy: 0.7811672317382569
Energy: 0.8373097314706297
Energy: 0.8832269792108794
Energy: 0.8666307747244906
Energy: 0.8367226539655426
Energy: 0.8837845149760586
Energy: 0.7940348561040417
Energy: 0.8299400092678274
Energy: 0.8198549544074206
Energy: 0.8118212713281664
Energy: 0.7862655394018893
Energy: 0.8199333894494384
Energy: 0.7933259911534689
Energy: 0.8144821864355455
Energy: 0.8385050785404862
Energy: 0.8197806294413812
Energy: 0.7997141608014483
Energy: 0.818593830077947
Energy: 0.7969859608908154
Energy: 0.826871462041671
Energy: 0.8160737243632823
Energy: 0.7957122979306228
Energy: 0.8041522186280107
Energy: 0.8179444265348371
Energy: 0.7969844633989571
Energy: 0.8394862705676904
Energy: 0.8391802358590197
Energy: 0.7972648791277324
Energy: 0.8136626355302927
Energy: 0.7981393313370492
Energy: 0.8283965710835449
Energy: 0.8157089638367274
Energy: 0.8160883195523544
Energy: 0.8012114840398865
Energy: 0.8269006551579698
Energy: 0.8259328235789564
Energy: 0.7755994481637165
Energy: 0.8563734115271814
Energy: 0.8495590636176814
Energy: 0.8609255420831042
Energy: 0.8565228522627825
Energy: 0.8703174201741021
Energy: 0.774895065233397
Energy: 0.8561901615241354
Energy: 0.8502669381261153
Energy: 0.8608612531053564
Energy: 0.8557834313035418
Energy: 0.870775093157902
Energy: 0.8282946681184568
Energy: 0.7916809973489582
Energy: 0.832619191467611
Energy: 0.8028528117828123
Energy: 0.7924519228279655
Energy: 0.8328797303356122
Energy: 0.8607626919835011
Energy: 0.8037187633308398
Energy: 0.8038768849304144
Energy: 0.8607982238131181
Energy: 0.8444364659006792
Energy: 0.8036660105838669
Energy: 0.8642491588101405
Energy: 0.7922376708336886
Energy: 0.8300848040376776
Energy: 0.7917854390598332
Energy: 0.8201798699620333
Energy: 0.8141768958499808
Energy: 0.9153533831253232
Energy: 0.7983237682289387
Energy: 0.8365803325816411
Energy: 0.8344790924902891
Energy: 0.9017630650594075
Energy: 0.8258440183949185
Energy: 0.8496345340509056
Energy: 0.7976750306476982
Energy: 0.8358848569153448
Energy: 0.8336851799051247
Energy: 0.7959772214841926
Energy: 0.8390949840322941
Energy: 0.8370449178752419
Energy: 0.8185675582304666
Energy: 0.8196170216873774
Energy: 0.8182792746627595
Energy: 0.8134822251602079
Energy: 0.819384769290846
Energy: 0.8369034110647776
Energy: 0.8188493455964032
Energy: 0.8190921279921313
Energy: 0.817997512985105
Energy: 0.8198065107229793
Energy: 0.818917777901998
Energy: 0.850246542613696
Energy: 0.810211844864033
Energy: 0.8163289054492944
Energy: 0.8233573370661198
Energy: 0.796657911515759
Energy: 0.8295463408881397
Energy: 0.9468318103875419
Energy: 0.8255474883012873
Energy: 0.826241963127938
Energy: 0.9069981661998625
Energy: 0.8296747092055927
Energy: 0.8262704966697471
Energy: 0.8228816945485249
Energy: 0.8224086559127168
Energy: 0.8220828061530779
Energy: 0.8245865013783314
Energy: 0.8145714220479335
Energy: 0.7912773208607534
Energy: 0.7730543467000108
Energy: 0.8937427749601066
Energy: 0.8685640798291383
Energy: 0.8051965680144085
Energy: 0.8935916521978877
Energy: 0.8701276263216855

minimum gb energy = 0.7722607995983146 eV
minimum distance =  2.24543898222338 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.9556346929768011
Energy: 0.8230121084832789
Energy: 0.8230956151033119
Energy: 0.7785646691859434
Energy: 0.9124925154909915
Energy: 0.8225548106657389
Energy: 0.7641119375080495
Energy: 0.8445632819275666
Energy: 0.8109877663312604
Energy: 0.8115239382583971
Energy: 0.8101340949560498
Energy: 0.7853440331746904
Energy: 0.7887329989518509
Energy: 0.7406043135477043
Energy: 0.7406130045980068
Energy: 0.8017072222448247
Energy: 0.7730314519796295
Energy: 0.7411225793467118
Energy: 0.7951121405244913
Energy: 0.7727452948581475
Energy: 0.7402321853383933
Energy: 0.7940377175841365
Energy: 0.7727594242449595
Energy: 0.8028683825815811
Energy: 0.7935488226046424
Energy: 0.777010929443146
Energy: 0.7799075871740954
Energy: 0.7938523180611312
Energy: 0.7782008052787652
Energy: 0.7800080225754787
Energy: 0.7637267289433586
Energy: 0.7778245032253153
Energy: 0.7778003934365936
Energy: 0.7776047944774611
Energy: 0.776849489149898
Energy: 0.7772230039823981
Energy: 0.8035562190085218
Energy: 0.7948291315550514
Energy: 0.7948358077075651
Energy: 0.7971196010888064
Energy: 0.7950072697130677
Energy: 0.8016327432332906
Energy: 0.7922653310159901
Energy: 0.7975897970880343
Energy: 0.8047092432132045
Energy: 0.777619381735059
Energy: 0.8044353805705259
Energy: 0.8040555279446255
Energy: 0.803815644823134
Energy: 0.8445742517758198
Energy: 0.8432182326462144
Energy: 0.8071660573806322
Energy: 0.8422232663372307
Energy: 0.8465436380193843
Energy: 0.9325493083462731
Energy: 0.8158508706564901
Energy: 0.8152621093979568
Energy: 0.9333633523638967
Energy: 0.8158350804353038
Energy: 0.8153959941801388
Energy: 0.8554560413775365
Energy: 0.815218357057278
Energy: 0.7703732746297975
Energy: 0.8073154622448109
Energy: 0.7797166268174471
Energy: 0.8019009858514072
Energy: 0.7640397014932544
Energy: 0.8122646720037415
Energy: 0.8015671012087712
Energy: 0.7401833836250055
Energy: 0.8104392620304661
Energy: 0.855057863409994
Energy: 0.7643068859910214
Energy: 0.8024873378580424
Energy: 0.8149210798728095
Energy: 0.8819447916804435
Energy: 0.7998779324523884
Energy: 0.8148774575723605
Energy: 0.8545476255421794
Energy: 0.7852132139811047
Energy: 0.7851890406350087
Energy: 0.8110168907873881
Energy: 0.8097650642529953
Energy: 0.7873035998276547
Energy: 0.7948351236301834
Energy: 0.7414658642969153
Energy: 0.7418851595325995
Energy: 0.7830444208558622
Energy: 0.7407117442572576
Energy: 0.7894680303665517
Energy: 0.7941500052248831
Energy: 0.7778453806810055
Energy: 0.7816747792556531
Energy: 0.7939790597307288
Energy: 0.7705691612743696
Energy: 0.7824504185197036
Energy: 0.7937732411541941
Energy: 0.7778471345579786
Energy: 0.7771756424312416
Energy: 0.7834042777261515
Energy: 0.7773189246915496
Energy: 0.7768160497691841
Energy: 0.7939705707133126
Energy: 0.7780343924471188
Energy: 0.7795404528941542
Energy: 0.7779967592515192
Energy: 0.7709210517096561
Energy: 0.7794886030849796
Energy: 0.804054681893908
Energy: 0.8003863502048284
Energy: 0.7995338513460757
Energy: 0.7702911689376126
Energy: 0.7993900499951705
Energy: 0.780384378184784
Energy: 0.8037656874346633
Energy: 0.8004674299701694
Energy: 0.8042842410181532
Energy: 0.8026349635370662
Energy: 0.8005937437005823
Energy: 0.7799839814805785
Energy: 0.8064144669447912
Energy: 0.8446328976125934
Energy: 0.7948835703851688
Energy: 0.8092223811983257
Energy: 0.7949946747164635
Energy: 0.7780116100339571
Energy: 0.9376934821765543
Energy: 0.8154984652547758
Energy: 0.8153024481320708
Energy: 0.9374666403851537
Energy: 0.8159358819951963
Energy: 0.8483215224681973
Energy: 0.8514995986010759
Energy: 0.8435880894292397
Energy: 0.7946006074722878
Energy: 0.8078465618795928
Energy: 0.8549788342337691
Energy: 0.7847642292265015
Energy: 0.7640947459452638
Energy: 0.8019731832678749
Energy: 0.8149893380743398
Energy: 0.8823893408386632
Energy: 0.8010645817612048
Energy: 0.8148638209944493

minimum gb energy = 0.7401833836250055 eV
minimum distance =  2.27859250467115 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.6954894852524609
Energy: 0.9085039482032966
Energy: 0.8886309835912991
Energy: 0.7611063706245839
Energy: 0.8141072434152156
Energy: 0.7609017939432491
Energy: 0.729051089399813
Energy: 0.8172237265956405
Energy: 0.7907194154199573
Energy: 0.8103121600008257
Energy: 0.802503453853742
Energy: 0.7290847191182299
Energy: 0.8076020197660905
Energy: 0.6942021439027154
Energy: 0.6961621179902764
Energy: 0.805252221038383
Energy: 0.6941304151778374
Energy: 0.6951521326641602
Energy: 0.8048316699279587
Energy: 0.6941638925936212
Energy: 0.696268096695365
Energy: 0.8047755077422325
Energy: 0.6942121652259152
Energy: 0.8048787500621266
Energy: 0.8058777196593779
Energy: 0.7248831683219478
Energy: 0.7016608584325926
Energy: 0.8067204743868701
Energy: 0.7137197302325301
Energy: 0.7013686976115954
Energy: 0.7296090033706017
Energy: 0.7024463945004961
Energy: 0.7021856515501024
Energy: 0.6978064835892371
Energy: 0.7103985926083929
Energy: 0.6969466888996426
Energy: 0.710400752234094
Energy: 0.7106016646734213
Energy: 0.7104837754101935
Energy: 0.7207274742608945
Energy: 0.7108810137205295
Energy: 0.7068992161262311
Energy: 0.7105760136203736
Energy: 0.7002930080583588
Energy: 0.7129171134026233
Energy: 0.7005411601641992
Energy: 0.7001188123178478
Energy: 0.712280214183009
Energy: 0.7125258635311437
Energy: 0.7007065992482484
Energy: 0.7001706453125354
Energy: 0.7110029085827457
Energy: 0.6998350949853326
Energy: 0.7112116371578432
Energy: 0.7102083945814937
Energy: 0.7011599185314527
Energy: 0.7011940256030209
Energy: 0.710127173724779
Energy: 0.7014428462764403
Energy: 0.7015358288517143
Energy: 0.7131724973582396
Energy: 0.7014212819501561
Energy: 0.7015174156292221
Energy: 0.7204292143936989
Energy: 0.8057696364626117
Energy: 0.7016128024948649
Energy: 0.8029124321473148
Energy: 0.8049519355042596
Energy: 0.8049608005313451
Energy: 0.8006577014217917
Energy: 0.8050846510860897
Energy: 0.805411504295814
Energy: 0.8037143124374456
Energy: 0.790292708783737
Energy: 0.7897220106024736
Energy: 0.72522957938631
Energy: 0.8001694210907666
Energy: 0.7767343719024495
Energy: 0.8142125604018158
Energy: 0.8007485554279546
Energy: 0.790213197386328
Energy: 0.803034343335714
Energy: 0.8078287020292881
Energy: 0.7289012478294653
Energy: 0.9569487763567103
Energy: 0.7984976167562529
Energy: 0.797916258488448
Energy: 0.9560669815043836
Energy: 0.7981901723303969
Energy: 0.8160616753013925
Energy: 0.8380260920989303
Energy: 0.8025362673786446
Energy: 0.7197587093207586
Energy: 0.8163904278985541
Energy: 0.810370207087155
Energy: 0.7773168112570765
Energy: 0.8763142571218496
Energy: 0.7903089382613905
Energy: 0.8661998698849244
Energy: 0.7191496016308214
Energy: 0.8244410705410529
Energy: 0.8665570293386609

minimum gb energy = 0.6941304151778374 eV
minimum distance =  2.35025792029887 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.6451732939660533
Energy: 0.8607450428642459
Energy: 0.7196488001974574
Energy: 0.6987265895021085
Energy: 0.7808628573184544
Energy: 0.7198657381390423
Energy: 0.7037918908476358
Energy: 0.7534324494702729
Energy: 0.7523627805107981
Energy: 0.772065255643407
Energy: 0.7524541938090227
Energy: 0.6589881305658054
Energy: 0.9346093476975447
Energy: 0.6508389693318746
Energy: 0.661474980563035
Energy: 0.7717374783238041
Energy: 0.6510897958979294
Energy: 0.6618552076573904
Energy: 0.7734746963446149
Energy: 0.6626466785876993
Energy: 0.6619131333224145
Energy: 0.7743221702519913
Energy: 0.6624446087851543
Energy: 0.6860960807791666
Energy: 0.6826730418850117
Energy: 0.660498600462076
Energy: 0.6619238269257771
Energy: 0.6834093997810893
Energy: 0.6810926311683876
Energy: 0.6589008452343742
Energy: 0.621688372515337
Energy: 0.6600580450710773
Energy: 0.6494076106386648
Energy: 0.650503182872485
Energy: 0.6739531584833262
Energy: 0.6496599917143863
Energy: 0.6321734489691042
Energy: 0.6747234349287603
Energy: 0.6741082544655171
Energy: 0.6486275670663368
Energy: 0.6765572326281168
Energy: 0.6595511404935828
Energy: 0.6321079166020681
Energy: 0.6343244565210164
Energy: 0.6423825139492566
Energy: 0.6529757201993136
Energy: 0.6344977043486028
Energy: 0.6426385833129609
Energy: 0.633206751521492
Energy: 0.6421292060523461
Energy: 0.6444602361328277
Energy: 0.6343545867564131
Energy: 0.6432592792125927
Energy: 0.6332543003844396
Energy: 0.6332987118046546
Energy: 0.636819992087485
Energy: 0.6364889422563512
Energy: 0.6327897064653543
Energy: 0.6376840717447715
Energy: 0.6366347023257409
Energy: 0.6467020579763626
Energy: 0.6439198260538158
Energy: 0.6371127076940553
Energy: 0.6370619516899012
Energy: 0.6333112188776897
Energy: 0.6368913227370236
Energy: 0.6348645918304442
Energy: 0.6332966430284781
Energy: 0.633207697249822
Energy: 0.643752055207392
Energy: 0.6366657859211149
Energy: 0.6434325720042434
Energy: 0.6449964910498649
Energy: 0.6439688015129895
Energy: 0.6432250163697065
Energy: 0.6422695925787005
Energy: 0.6437361120628944
Energy: 0.6422847943700895
Energy: 0.674797057454913
Energy: 0.6493612041622878
Energy: 0.6461705940794378
Energy: 0.6747729483289322
Energy: 0.6485010344399568
Energy: 0.6739886834258485
Energy: 0.6737398737100234
Energy: 0.6433292072875553
Energy: 0.6431844890974044
Energy: 0.6738148530241106
Energy: 0.6433858127025404
Energy: 0.6594228909978759
Energy: 0.7766788865773685
Energy: 0.683497860178861
Energy: 0.6592962663008626
Energy: 0.6810620077193694
Energy: 0.7720942901441179
Energy: 0.6605556866989383
Energy: 0.6320954251020695
Energy: 0.7715315964878852
Energy: 0.7716931476371158
Energy: 0.6803755711292122
Energy: 0.7713545320834762
Energy: 0.6605795455060176
Energy: 0.6845483367347223
Energy: 0.752061219765773
Energy: 0.7380518337379924
Energy: 0.6911009915735433
Energy: 0.7716636633700208
Energy: 0.6610370098187407
Energy: 0.8602960876515868
Energy: 0.7730048172430044
Energy: 0.7063761648754124
Energy: 0.7726503468865397
Energy: 0.6809667424596959
Energy: 0.6615510317806814
Energy: 0.9311542278960908
Energy: 0.6819898539335033
Energy: 0.6740900323058449
Energy: 0.7754347282194652
Energy: 0.681470640360539
Energy: 0.7571232030452976
Energy: 0.894997874210068
Energy: 0.7386988280434333
Energy: 0.7517059569975366
Energy: 0.7739783321094431
Energy: 0.7671342308694555
Energy: 0.7525419964773086
Energy: 0.6411333323705337
Energy: 0.7580162696702437
Energy: 0.8233870119720866
Energy: 0.6914047865975852
Energy: 0.7701078637722318
Energy: 0.6937283636038486
Energy: 0.6438406482208049
Energy: 0.7528127071414366
Energy: 0.7525526258131889
Energy: 0.6451328440342199
Energy: 0.7537919914887736
Energy: 0.8063810080081589
Energy: 0.8956178775861776
Energy: 0.6654026618426261
Energy: 0.7201277756791269
Energy: 0.772490580909031
Energy: 0.6611631752375929
Energy: 0.7198707227660337
Energy: 0.7713961410630388
Energy: 0.6511501208438166
Energy: 0.6645382619316413
Energy: 0.7715853092724796
Energy: 0.651108859837082
Energy: 0.6616797405080933
Energy: 0.7749531087470115
Energy: 0.6827179700403787
Energy: 0.6605088702950206
Energy: 0.7753282566833711
Energy: 0.6829891826228495
Energy: 0.7269821857970004
Energy: 0.6219199639605706
Energy: 0.6596410107806948
Energy: 0.6599889551225671
Energy: 0.6504554470756403
Energy: 0.660123413298887
Energy: 0.6498571028593442
Energy: 0.6728344086290242
Energy: 0.6743659653709084
Energy: 0.6746752157236717
Energy: 0.6733702311684611
Energy: 0.6755582014421408
Energy: 0.6744127370871646
Energy: 0.6333655362872305
Energy: 0.6447425583469582
Energy: 0.6448409013524393
Energy: 0.6459987217834026
Energy: 0.6737932025107575
Energy: 0.6494627120394925
Energy: 0.6332051214161996
Energy: 0.6344025194304418
Energy: 0.6421684778362353
Energy: 0.633305276445977
Energy: 0.6344472643339428
Energy: 0.642124941360524
Energy: 0.6370219802294644
Energy: 0.6396577766710432
Energy: 0.6384847031276167
Energy: 0.6334268163191007
Energy: 0.6366863175754396
Energy: 0.6379073257492116
Energy: 0.6334777259174548
Energy: 0.6404276322237676
Energy: 0.6392826532324051
Energy: 0.6425941578639
Energy: 0.636885817960653
Energy: 0.6393251531202465
Energy: 0.7002148750410273
Energy: 0.633075763008796
Energy: 0.6330879492736512
Energy: 0.7005770707382929
Energy: 0.6336342394018689
Energy: 0.6330829157507598
Energy: 0.6321234799243062
Energy: 0.6420174191083896
Energy: 0.6425908896750163
Energy: 0.67571927797555
Energy: 0.6437069127014167
Energy: 0.646309684845896
Energy: 0.6739148695044768
Energy: 0.6461948564695456
Energy: 0.6457234192362838
Energy: 0.6739149615189987
Energy: 0.6478126676760485
Energy: 0.6466973982156009
Energy: 0.6741835902470642
Energy: 0.6427900626425391
Energy: 0.658678330073228
Energy: 0.6740624936351296
Energy: 0.6426540384420029
Energy: 0.6813352340716686
Energy: 0.7784182266043438
Energy: 0.6722708942935297
Energy: 0.6582490540745934
Energy: 0.6839282809356071
Energy: 0.6827683473440618
Energy: 0.6611979925073428
Energy: 0.6312441828149296
Energy: 0.7715595896385526
Energy: 0.7714593973393559
Energy: 0.6903053826106199
Energy: 0.7726792192142518
Energy: 0.7711895226040482
Energy: 0.6321563295918795
Energy: 0.7520441435736294
Energy: 0.6734369666162074
Energy: 0.6590772891103995
Energy: 0.753546521604963
Energy: 0.659077932864017
Energy: 0.8597316714604619
Energy: 0.7600467947166304
Energy: 0.7186722450967106
Energy: 0.7729101583683142
Energy: 0.775969735108561
Energy: 0.6829411630720903
Energy: 0.8640243920466156
Energy: 0.6738795514519093
Energy: 0.7368283455332156
Energy: 0.771817807175527
Energy: 0.6597574647390744
Energy: 0.7374985565805221
Energy: 0.8937375582233023
Energy: 0.7049545869907811
Energy: 0.7517325800216287
Energy: 0.7735475085249852
Energy: 0.6810371446406687
Energy: 0.7202934901773357
Energy: 0.645040190492805
Energy: 0.7533906630598092
Energy: 0.7382826225869611
Energy: 0.6463430072174985
Energy: 0.7795980710892594
Energy: 0.8063361651065213

minimum gb energy = 0.621688372515337 eV
minimum distance =  2.33782607258728 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.7334964261498319
Energy: 0.8094863548918418
Energy: 0.6611544972933098
Energy: 0.6428081491870064
Energy: 0.9667233531724644
Energy: 0.6564721684320287
Energy: 0.8253754201499715
Energy: 0.7497952140689446
Energy: 0.7118555370363542
Energy: 0.7331785708323311
Energy: 0.7358760925214011
Energy: 0.6187779715619192
Energy: 0.8689766371761494
Energy: 0.6095130904721593
Energy: 0.6097543702646012
Energy: 0.7382257829686655
Energy: 0.6098164479563846
Energy: 0.6308341670323679
Energy: 0.7357110543241081
Energy: 0.609681165343864
Energy: 0.630810445923878
Energy: 0.735658591811957
Energy: 0.6556741587142723
Energy: 0.6549006419064196
Energy: 0.6743088352894181
Energy: 0.6459723808746772
Energy: 0.6253056079688958
Energy: 0.6744493789690625
Energy: 0.6472008016179862
Energy: 0.6366023674851067
Energy: 0.569398010819369
Energy: 0.6444643444381135
Energy: 0.6089325716182193
Energy: 0.5892587272965286
Energy: 0.6444823091929751
Energy: 0.6089960930165234
Energy: 0.7385424538791667
Energy: 0.65036881276857
Energy: 0.6449945335806362
Energy: 0.6067868628979526
Energy: 0.6473116555606887
Energy: 0.6072570521473475
Energy: 0.7833347453762557
Energy: 0.5878725501031592
Energy: 0.5876415448910578
Energy: 0.6082096150303915
Energy: 0.5881490088019375
Energy: 0.5984284773965287
Energy: 0.5990673561841712
Energy: 0.5986705813711859
Energy: 0.608018220042763
Energy: 0.6002515761655087
Energy: 0.6130772920699549
Energy: 0.5971762831056102
Energy: 0.5969407327196286
Energy: 0.5904277074318414
Energy: 0.5896698674062368
Energy: 0.5971749664946419
Energy: 0.6069188596567305
Energy: 0.5900788979220883
Energy: 0.5933711079861975
Energy: 0.5751234702633742
Energy: 0.5936130293507035
Energy: 0.5801675166351324
Energy: 0.5753040781080195
Energy: 0.5838874962551858
Energy: 0.5998806385783393
Energy: 0.5816550047250914
Energy: 0.575367889280322
Energy: 0.5952653766239319
Energy: 0.5785721538169718
Energy: 0.5838869288451286
Energy: 0.5754127532459414
Energy: 0.6262291949566757
Energy: 0.6250897468165847
Energy: 0.5828119576582446
Energy: 0.6085880351641749
Energy: 0.6048097265211231
Energy: 0.5756259694805356
Energy: 0.5861706969797138
Energy: 0.5747682066629348
Energy: 0.5769704091980876
Energy: 0.5934636799192905
Energy: 0.5750362332163275
Energy: 0.5749938383135309
Energy: 0.5848397320434308
Energy: 0.5844473518879653
Energy: 0.5750179768211783
Energy: 0.6083835795323737
Energy: 0.584923606151065
Energy: 0.6921348857093071
Energy: 0.5972949619986009
Energy: 0.5961019857464233
Energy: 0.5959113863135408
Energy: 0.596934311380959
Energy: 0.5947837082979799
Energy: 0.6084227256267758
Energy: 0.5972477336983018
Energy: 0.597359367416595
Energy: 0.6108655804954589
Energy: 0.602757632060384
Energy: 0.6033273245695381
Energy: 0.6076309846655839
Energy: 0.6056091674923187
Energy: 0.6060707400957417
Energy: 0.6447386857142671
Energy: 0.6053726320445703
Energy: 0.6033499800506837
Energy: 0.6448076116512261
Energy: 0.6078761712006994
Energy: 0.6446248776320692
Energy: 0.6459183474371728
Energy: 0.6082658951901075
Energy: 0.6446976789191488
Energy: 0.8116366623568776
Energy: 0.5990004837540891
Energy: 0.5986966284661407
Energy: 0.6499782133887309
Energy: 0.5992459175554378
Energy: 0.6449502555347261
Energy: 0.8101063798398247
Energy: 0.6482696620309504
Energy: 0.6150582485327225
Energy: 0.6481776074980916
Energy: 0.6462903594694255
Energy: 0.6463214491735666
Energy: 0.6358306487168564
Energy: 0.7331896215164341
Energy: 0.6241559886262797
Energy: 0.6010626257311691
Energy: 0.7330225085289264
Energy: 0.6225834983246743
Energy: 0.6543265799392776
Energy: 0.7043496637795911
Energy: 0.6807347687034667
Energy: 0.654311157660369
Energy: 0.7364550378846559
Energy: 0.6750831344822137
Energy: 0.8097687258023565
Energy: 0.6460357826448996
Energy: 0.6231960607601456
Energy: 0.7348189360074652
Energy: 0.649226170955054
Energy: 0.6264597472733425
Energy: 0.8689668321633793
Energy: 0.628528604598994
Energy: 0.6253883476117212
Energy: 0.73284393507169
Energy: 0.623412680614606
Energy: 0.6982844118525381
Energy: 0.837673022701522
Energy: 0.7189521221760216
Energy: 0.680806561020071
Energy: 0.7380991458931138
Energy: 0.7390494924588931
Energy: 0.6383502546973963
Energy: 0.5800426265704889
Energy: 0.7193200871720649
Energy: 0.6309473885345541
Energy: 0.6131476381612184
Energy: 0.7334047500570912
Energy: 0.6304730673696329

minimum gb energy = 0.569398010819369 eV
minimum distance =  2.38082706745282 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.4940448157276276
Energy: 0.7023915267946523
Energy: 0.5804450884860493
Energy: 0.5395494435139038
Energy: 0.6336264719762753
Energy: 0.5631385301525886
Energy: 0.7011891097897043
Energy: 0.63784019977124
Energy: 0.5217966751155504
Energy: 0.6317803785408435
Energy: 0.6329811814181154
Energy: 0.5207533425436849
Energy: 0.7062036404398194
Energy: 0.509175874682133
Energy: 0.5226035448995179
Energy: 0.6320554087106333
Energy: 0.5105581537483819
Energy: 0.5231076851485155
Energy: 0.6346800082682668
Energy: 0.5224928356720184
Energy: 0.5233562222249213
Energy: 0.6318041386922524
Energy: 0.5414067724028002
Energy: 0.5595153871051263
Energy: 0.5875421203494429
Energy: 0.5579009022221448
Energy: 0.5219372932570984
Energy: 0.5878264957935756
Energy: 0.5662841555223482
Energy: 0.5216626316274345
Energy: 0.4793298880125346
Energy: 0.5647173285977029
Energy: 0.5146288822401877
Energy: 0.49372507845425584
Energy: 0.564486871282834
Energy: 0.5037118466683977
Energy: 0.6344980119251094
Energy: 0.5651734813796986
Energy: 0.5645498529678794
Energy: 0.506330929400971
Energy: 0.5649413779905612
Energy: 0.5053309273221757
Energy: 0.6717250427111282
Energy: 0.4907957928397597
Energy: 0.4987609499006773
Energy: 0.5056620443591753
Energy: 0.49089322707543115
Energy: 0.4986410801853121
Energy: 0.5269712287696943
Energy: 0.49904474123835574
Energy: 0.5260365505898659
Energy: 0.5283749405857124
Energy: 0.5394681091834371
Energy: 0.5252204370161442
Energy: 0.5090318105856418
Energy: 0.5045968918906723
Energy: 0.5013791240468933
Energy: 0.5252802482076645
Energy: 0.5021544356488312
Energy: 0.5014361986340321
Energy: 0.5022087067349267
Energy: 0.5002140331809202
Energy: 0.4924436091688541
Energy: 0.4840590771566578
Energy: 0.500131687801618
Energy: 0.4879528615470013
Energy: 0.5254543944111395
Energy: 0.5004117182710643
Energy: 0.5004138965367213
Energy: 0.49757548302912596
Energy: 0.5006332568479116
Energy: 0.4990306415932802
Energy: 0.6510806107787186
Energy: 0.48223658293247257
Energy: 0.48441880003605214
Energy: 0.6530484220615099
Energy: 0.4825018265622222
Energy: 0.48455233712424023
Energy: 0.48514878424522384
Energy: 0.533301507199257
Energy: 0.48519191745084267
Energy: 0.486627659616291
Energy: 0.5017041413243067
Energy: 0.4852441413838492
Energy: 0.48528192009617016
Energy: 0.48342992530593826
Energy: 0.48298269368730096
Energy: 0.485214024758272
Energy: 0.49458240938551495
Energy: 0.4861705674045024
Energy: 0.47897950068279377
Energy: 0.4781577829617672
Energy: 0.4844957770555905
Energy: 0.4820671429493419
Energy: 0.47823375392643624
Energy: 0.4820239657053289
Energy: 0.4880570198464392
Energy: 0.4781372743153418
Energy: 0.4779132733476124
Energy: 0.4837050797229269
Energy: 0.4783112175362391
Energy: 0.4852291936423745
Energy: 0.5672206172090065
Energy: 0.5061938594562219
Energy: 0.49537900029421245
Energy: 0.5677361787966075
Energy: 0.5054153005421261
Energy: 0.4947619566281906
Energy: 0.47813095584084214
Energy: 0.4885371347439867
Energy: 0.4782556495819045
Energy: 0.478955933645462
Energy: 0.5787833944241797
Energy: 0.47802717560163355
Energy: 0.6459895969162945
Energy: 0.4957810633668369
Energy: 0.4955777644415265
Energy: 0.6475269370597064
Energy: 0.4958925784716574
Energy: 0.5084073847482015
Energy: 0.5027278451292596
Energy: 0.48539980293379015
Energy: 0.48513994798724525
Energy: 0.4895368138314771
Energy: 0.48543819994908577
Energy: 0.49070462735557135
Energy: 0.47884647098314276
Energy: 0.4854040787492215
Energy: 0.4923432613177184
Energy: 0.4847050552845493
Energy: 0.4852866571767215
Energy: 0.4846289393976015
Energy: 0.5001704047356237
Energy: 0.4870900418378196
Energy: 0.48680538857721656
Energy: 0.5002134789546655
Energy: 0.5059337814132154
Energy: 0.48723780349454454
Energy: 0.5003997620558641
Energy: 0.49683332278672676
Energy: 0.5003311157679197
Energy: 0.5019104917771862
Energy: 0.5252018975683833
Energy: 0.5002222436100702
Energy: 0.6587621784830016
Energy: 0.4866361687613746
Energy: 0.49267681671121083
Energy: 0.660907767595773
Energy: 0.4867999695988911
Energy: 0.4924824202626363
Energy: 0.5648347197691798
Energy: 0.5253878398936832
Energy: 0.5253097490459018
Energy: 0.5012818343404517
Energy: 0.5255556448553802
Energy: 0.500943295555976
Energy: 0.5133803031783838
Energy: 0.5254115070079237
Energy: 0.5057514971607037
Energy: 0.4888294201829511
Energy: 0.5254080011024327
Energy: 0.495658522519128
Energy: 0.549308073432277
Energy: 0.5098802481005226
Energy: 0.5062868155288661
Energy: 0.5647063585406958
Energy: 0.5233845694250513
Energy: 0.5065949245041422
Energy: 0.5663638645528288
Energy: 0.5093461558898531
Energy: 0.5650651759762234
Energy: 0.5675096563673022
Energy: 0.56339307546949
Energy: 0.5647728479382291
Energy: 0.6928707187284834
Energy: 0.49930445594575373
Energy: 0.5094948585385819
Energy: 0.5528622526111497
Energy: 0.49942108540854213
Energy: 0.5092626519737896
Energy: 0.6915421226274846
Energy: 0.5555556026048257
Energy: 0.5531206417049067
Energy: 0.5525723728657104
Energy: 0.5607367916879074
Energy: 0.5249048426420106
Energy: 0.4856982160567181
Energy: 0.6317505384028997
Energy: 0.5333990948959201
Energy: 0.5074355019007881
Energy: 0.6318146031900664
Energy: 0.5163602807770583
Energy: 0.6323692253309854
Energy: 0.5831954596833
Energy: 0.5589432586786891
Energy: 0.5464288630629247
Energy: 0.6340120930173899
Energy: 0.5584330555101217
Energy: 0.6902863212188187
Energy: 0.5387969645373527
Energy: 0.5384834757840069
Energy: 0.632234112927558
Energy: 0.5680701940011158
Energy: 0.5909007231571868
Energy: 0.7061791115771121
Energy: 0.5237624408755006
Energy: 0.5386834735563133
Energy: 0.6319631077642949
Energy: 0.5268634877382224
Energy: 0.5604465568323174
Energy: 0.7011891740603337
Energy: 0.5991525749595794
Energy: 0.5582543541766372
Energy: 0.6320956837855845
Energy: 0.6318955910022626
Energy: 0.5588128316764124

minimum gb energy = 0.4779132733476124 eV
minimum distance =  2.38306617276676 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.032043721603401784
Energy: 0.06435623808178091
Energy: 0.03263426480378972
Energy: 0.03389323479906562
Energy: 0.034940337514525036
Energy: 0.03255614534147734
Energy: 0.0658878318097147
Energy: 0.033320987809332785
Energy: 0.03345262056360899
Energy: 0.0656168206255138
Energy: 0.033335623280588936
Energy: 0.03356588810188617
Energy: 0.06476884534486005
Energy: 0.03250483420811243
Energy: 0.03261493019849221
Energy: 0.06472094263811695
Energy: 0.03239313069477179
Energy: 0.06495650423455232
Energy: 0.03323727829523981
Energy: 0.03252840236137451
Energy: 0.032737261002601756
Energy: 0.033211056485013934
Energy: 0.032587375427756436
Energy: 0.06551356288538408
Energy: 0.06497196095381814
Energy: 0.06479777395668956
Energy: 0.06467982292117795
Energy: 0.0661077939051307
Energy: 0.06484210259180051
Energy: 0.06468679412227481
Energy: 0.033130870217505874
Energy: 0.03323592295531964
Energy: 0.032622346606043365
Energy: 0.03439977495500244
Energy: 0.033304146479675806
Energy: 0.03261053371952062
Energy: 0.06507765159006133
Energy: 0.03331527687779457
Energy: 0.03318067651450639
Energy: 0.06483541878108283
Energy: 0.03321379959430386
Energy: 0.033459736654840685
Energy: 0.06464955932876146
Energy: 0.032505496631576786
Energy: 0.03276643662508676
Energy: 0.0646859095605302
Energy: 0.0324354433525335
Energy: 0.06539561173774525
Energy: 0.03475112587930514
Energy: 0.032628991234583335
Energy: 0.06621052654566484
Energy: 0.034603006476092206
Energy: 0.03261357335505849
Energy: 0.06688249880846209
Energy: 0.032418994098647305
Energy: 0.06506043610134783
Energy: 0.06484095332185835
Energy: 0.03283325498482601
Energy: 0.06486890783790397
Energy: 0.06482665314182637

minimum gb energy = 0.032043721603401784 eV
minimum distance =  2.5476287890522 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.5994106985896025
Energy: 0.6182876029604727
Energy: 0.5905767764219072
Energy: 0.5827302278790073
Energy: 0.5911897628674767
Energy: 0.5879549686957503
Energy: 0.6117418097598656
Energy: 0.6043230569488348
Energy: 0.6043438407875078
Energy: 0.5891613239154674
Energy: 0.6045745498643206
Energy: 0.6043893742795156
Energy: 0.6327590937481948
Energy: 0.5774995944870227
Energy: 0.577526040537495
Energy: 0.607083516135345
Energy: 0.5776929296206592
Energy: 0.595439811296557
Energy: 0.5888797698252873
Energy: 0.5780108098201507
Energy: 0.5785392902818767
Energy: 0.5888116672877642
Energy: 0.5343957605017281
Energy: 0.5954602750746741
Energy: 0.5360774164245662
Energy: 0.5991011439523345
Energy: 0.5997577916546941
Energy: 0.5359000969927822
Energy: 0.604611641026606
Energy: 0.6043330701574864
Energy: 0.5678054650460325
Energy: 0.6022027024938587
Energy: 0.5888760611259009
Energy: 0.5579870745706208
Energy: 0.6005026824239482
Energy: 0.5578139997869713
Energy: 0.5907354699952004
Energy: 0.5440354255411552
Energy: 0.5901802938131665
Energy: 0.5905383800277413
Energy: 0.5454207314830352
Energy: 0.5960510027292509
Energy: 0.5882757250524147
Energy: 0.5649416963915765
Energy: 0.5650073949716805
Energy: 0.5883341945451946
Energy: 0.5411541253160603
Energy: 0.5471425112277883
Energy: 0.5914801772702705
Energy: 0.5645598042709788
Energy: 0.5989838037123865
Energy: 0.5962454650040766
Energy: 0.5043506928691426
Energy: 0.5940970929430025
Energy: 0.5486467141374328
Energy: 0.544726764675973
Energy: 0.5444762241861241
Energy: 0.5486827220758091
Energy: 0.5459155669477908
Energy: 0.554243496614258
Energy: 0.5598746024585572
Energy: 0.5716183882144368
Energy: 0.5717294049244852
Energy: 0.5464266072146379
Energy: 0.564836984802448
Energy: 0.5467505246065152
Energy: 0.5101745346036983
Energy: 0.5737310828945116
Energy: 0.572729248483125
Energy: 0.5104142118432117
Energy: 0.5741366461236849
Energy: 0.5087624775083254
Energy: 0.5083275261814715
Energy: 0.5353316856198231
Energy: 0.5512727090121876
Energy: 0.508452506385661
Energy: 0.5351656530137757
Energy: 0.5295453062501575
Energy: 0.549315837742231
Energy: 0.5230958641774652
Energy: 0.5507855866275709
Energy: 0.5527181289025961
Energy: 0.5229511519358463
Energy: 0.5517117516102683
Energy: 0.5503436545977299
Energy: 0.4847919066300267
Energy: 0.48498067887249424
Energy: 0.5481827351513636
Energy: 0.48590347739640755
Energy: 0.485330241049838
Energy: 0.548515291930987
Energy: 0.5380581866113218
Energy: 0.5403533981920243
Energy: 0.5381549872811497
Energy: 0.541820973926581
Energy: 0.5399793908304691
Energy: 0.47806224047477014
Energy: 0.5397622612758696
Energy: 0.5394076705546066
Energy: 0.47680904558225545
Energy: 0.5386798127941306
Energy: 0.474903271336586
Energy: 0.47721166729144254
Energy: 0.5356168285647488
Energy: 0.5356315071484011
Energy: 0.4768628510608411
Energy: 0.5352997771278492
Energy: 0.535134518845127
Energy: 0.5411347005583621
Energy: 0.5402378023059721
Energy: 0.5347273611221234
Energy: 0.5352982443003834
Energy: 0.5404744691309199
Energy: 0.5353804961124693
Energy: 0.5406279078993751
Energy: 0.47392217657532976
Energy: 0.47352710961439765
Energy: 0.5413408469939599
Energy: 0.4773912461388087
Energy: 0.47355511329661143
Energy: 0.5405226160473404
Energy: 0.5385262737058166
Energy: 0.540383666264211
Energy: 0.5408844048643597
Energy: 0.5478004830735637
Energy: 0.5393374455911292
Energy: 0.49428346570955367
Energy: 0.5384558527461739
Energy: 0.5132010740360889
Energy: 0.4853543396922586
Energy: 0.5525112405011802
Energy: 0.4847652550637564
Energy: 0.4868207880394816
Energy: 0.5509259078554704
Energy: 0.5511098879202754
Energy: 0.48681020487729665
Energy: 0.5508583923349578
Energy: 0.5512385315571479
Energy: 0.5525374712015425
Energy: 0.5086004562223496
Energy: 0.5505656214779481
Energy: 0.5412001676440837
Energy: 0.5084808868774372
Energy: 0.5411181705101357
Energy: 0.5652408840981191
Energy: 0.5094015746250673
Energy: 0.5091282524622752
Energy: 0.5670817222581364
Energy: 0.5102531544318829
Energy: 0.5088197452306731
Energy: 0.5665441578400251
Energy: 0.5561118642837514
Energy: 0.5564398724916612
Energy: 0.565450679956301
Energy: 0.536306516263174
Energy: 0.5716336429863942
Energy: 0.5463437636427996
Energy: 0.5559571526120736
Energy: 0.5564997218760538
Energy: 0.5464528391599108
Energy: 0.5733557357846338
Energy: 0.5442419640443195
Energy: 0.5205732573359815
Energy: 0.6012210684006353
Energy: 0.6000941889565735
Energy: 0.5205763192336292
Energy: 0.5950294897027328
Energy: 0.5998644196722647
Energy: 0.5664454168210626
Energy: 0.5857704283056687
Energy: 0.5799009155596413
Energy: 0.5504995379940454
Energy: 0.5886844117729544
Energy: 0.5506720380823701
Energy: 0.5437105931861679
Energy: 0.5920751164497601
Energy: 0.5893289217953399
Energy: 0.5437247164200278
Energy: 0.5912259860775425
Energy: 0.5895216037561569
Energy: 0.6004310456074214
Energy: 0.5721423641020977
Energy: 0.5719306478858556
Energy: 0.6000514837101557
Energy: 0.5446742074601376
Energy: 0.5718558301438472
Energy: 0.6339177730127743
Energy: 0.5721353093817835
Energy: 0.610138309513403
Energy: 0.6039053311826323
Energy: 0.5440508250805627
Energy: 0.5995455215466121
Energy: 0.5499057675366458
Energy: 0.5888969342687542
Energy: 0.5891610097003857
Energy: 0.5498038144811265
Energy: 0.5914748945744142
Energy: 0.5734605047003466

minimum gb energy = 0.47352710961439765 eV
minimum distance =  2.29343942171287 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.7354460317571104
Energy: 0.7290850873826729
Energy: 0.7277582192104759
Energy: 0.7019753873998575
Energy: 0.705149507191223
Energy: 0.7447084334568145
Energy: 0.7229320456396023
Energy: 0.7208647666705679
Energy: 0.7203520998887933
Energy: 0.7204140150276565
Energy: 0.7349489497291689
Energy: 0.7181133299298131
Energy: 0.7571630476416864
Energy: 0.7004990334870468
Energy: 0.7133538820313431
Energy: 0.721054407773081
Energy: 0.7004862130350976
Energy: 0.7134432640556381
Energy: 0.700112932956364
Energy: 0.7135652697948354
Energy: 0.7138207875808337
Energy: 0.699867082437574
Energy: 0.7015778429784372
Energy: 0.7138111173664973
Energy: 0.6913928011765603
Energy: 0.7345041294191731
Energy: 0.720230874532534
Energy: 0.6914817248149479
Energy: 0.7359973554702718
Energy: 0.7188935492382198
Energy: 0.6891708779087204
Energy: 0.709242636783629
Energy: 0.6949121859661825
Energy: 0.6793403771901452
Energy: 0.7067118227249721
Energy: 0.6953085705221637
Energy: 0.6956005868304533
Energy: 0.6925723652074061
Energy: 0.6913925937211862
Energy: 0.6916506708581622
Energy: 0.6904519613662495
Energy: 0.6899922781055121
Energy: 0.6935400071437485
Energy: 0.6765464547908078
Energy: 0.6763320020400816
Energy: 0.6919129443228678
Energy: 0.6759534745343627
Energy: 0.6948204823897471
Energy: 0.6914761361953718
Energy: 0.7064910154795918
Energy: 0.7052141032226278
Energy: 0.6978619271908099
Energy: 0.6347706272192271
Energy: 0.7086606678344953
Energy: 0.6966690491224538
Energy: 0.6404673680803382
Energy: 0.6354915115618719
Energy: 0.6975632044885428
Energy: 0.6374797500389162
Energy: 0.6357240989516683
Energy: 0.6921003714429583
Energy: 0.6782841378187832
Energy: 0.6785672441956627
Energy: 0.6778799632311917
Energy: 0.6793202673787035
Energy: 0.6784498170731672
Energy: 0.6059393139909771
Energy: 0.6801989256392807
Energy: 0.6795906745555541
Energy: 0.6043304774482006
Energy: 0.6811596134698708
Energy: 0.6039987888866181
Energy: 0.6043201648586799
Energy: 0.6681556170478319
Energy: 0.6717897282298163
Energy: 0.6044446938802697
Energy: 0.6680949567650015
Energy: 0.6040591981533154
Energy: 0.6751726219209184
Energy: 0.679527542501195
Energy: 0.6706906198995835
Energy: 0.6683106173701521
Energy: 0.6753949371248551
Energy: 0.6702689186794262
Energy: 0.675269262760517
Energy: 0.6085255857472193
Energy: 0.6044587123265953
Energy: 0.6760809090760861
Energy: 0.6050696052767549
Energy: 0.6038997473300352
Energy: 0.6772468773391195
Energy: 0.678918440758137
Energy: 0.6813212853835305
Energy: 0.6813294241627165
Energy: 0.6487597215919577
Energy: 0.6789085377071041
Energy: 0.6443440229050494
Energy: 0.6657201428289234
Energy: 0.6700099760475896
Energy: 0.6364521916649231
Energy: 0.6659759705709075
Energy: 0.6361444134733835
Energy: 0.6354033083673082
Energy: 0.7049389442909807
Energy: 0.7067372687207576
Energy: 0.635191353386645
Energy: 0.7045795067174948
Energy: 0.6351883476594161
Energy: 0.6773233002699083
Energy: 0.6937150370481219
Energy: 0.6867047016748035
Energy: 0.6859295807838679
Energy: 0.6910117331910728
Energy: 0.686693734766674
Energy: 0.6815022599425073
Energy: 0.6912116648651949
Energy: 0.6905656661940915
Energy: 0.6814932851518299
Energy: 0.6930732773273299
Energy: 0.6904123719990842
Energy: 0.6902489054240639
Energy: 0.7196824045845076
Energy: 0.7196622390490254
Energy: 0.6896555515249596
Energy: 0.7024146858105932
Energy: 0.7197990631528378
Energy: 0.7572300004726629
Energy: 0.6832543707218945
Energy: 0.7195158579477695
Energy: 0.7213243918447744
Energy: 0.6832539184960496
Energy: 0.7196612679739625
Energy: 0.7228548456890833
Energy: 0.6949778969614204
Energy: 0.6939297108752721
Energy: 0.7230264782995092
Energy: 0.6935148367844343
Energy: 0.6903035874558026

minimum gb energy = 0.6038997473300352 eV
minimum distance =  2.30304756082647 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.852631012172517
Energy: 0.8554626131288053
Energy: 0.8585685265197314
Energy: 0.8214210312227114
Energy: 0.8594894489370696
Energy: 0.8224071885366409
Energy: 0.7991779463283678
Energy: 0.817835184954824
Energy: 0.8143091922302957
Energy: 0.8176702537122786
Energy: 0.8174539630583831
Energy: 0.8141635329931592
Energy: 0.8723107169899936
Energy: 0.8020230928956485
Energy: 0.802042935729754
Energy: 0.8170887654607702
Energy: 0.8020662013207526
Energy: 0.8021487773788379
Energy: 0.8154355744959184
Energy: 0.804137600048171
Energy: 0.8038113993861526
Energy: 0.8153504117730502
Energy: 0.7523415174486624
Energy: 0.8036740874002899
Energy: 0.7561039111122688
Energy: 0.8117826518987147
Energy: 0.8140178748665662
Energy: 0.7563526234962625
Energy: 0.8191720776182086
Energy: 0.8137003713834842
Energy: 0.7911909100092931
Energy: 0.811916050763491
Energy: 0.8119762199195688
Energy: 0.7446569940286571
Energy: 0.8038299234641257
Energy: 0.774148138680187
Energy: 0.7564403614777478
Energy: 0.8145297023367715
Energy: 0.8126893746850349
Energy: 0.7563861087461086
Energy: 0.8131076466760837
Energy: 0.7522692821599595
Energy: 0.7567290210853097
Energy: 0.7778174360250848
Energy: 0.7784855309449384
Energy: 0.7568022517940132
Energy: 0.691391791017907
Energy: 0.7521114537928255
Energy: 0.770063287533838
Energy: 0.7787293163550953
Energy: 0.7770607923181376
Energy: 0.7716543867895401
Energy: 0.6898967655350117
Energy: 0.7776809724666167
Energy: 0.7733126221125773
Energy: 0.6910843672616765
Energy: 0.6907183273953538
Energy: 0.7744681207286653
Energy: 0.6917652772764373
Energy: 0.690355993609099
Energy: 0.7720656331528841
Energy: 0.7409688999107944
Energy: 0.7619685485161978
Energy: 0.7613832412607924
Energy: 0.73377737491915
Energy: 0.7627630334532893
Energy: 0.6907085849789266
Energy: 0.7616578551914835
Energy: 0.7619107668884213
Energy: 0.6905180442968948
Energy: 0.7575311628778204
Energy: 0.6906354133159243
Energy: 0.6901374505824434
Energy: 0.776779221324457
Energy: 0.7778780542439108
Energy: 0.69021183250115
Energy: 0.7780908689827697
Energy: 0.6905265743782587
Energy: 0.7746024102636019
Energy: 0.7769434393471316
Energy: 0.777829537535983
Energy: 0.7580192496515336
Energy: 0.773164694082442
Energy: 0.758000893240539
Energy: 0.7805030140933031
Energy: 0.7567998471723594
Energy: 0.7520150407313657
Energy: 0.7762065534188374
Energy: 0.7591329447969752
Energy: 0.7520188587295871
Energy: 0.8079279513728453
Energy: 0.7902937641489156
Energy: 0.7902310531868921
Energy: 0.8055685169203959
Energy: 0.7066922662380237
Energy: 0.8125575669475852
Energy: 0.8718560970813214
Energy: 0.7906025689424209
Energy: 0.7904879178447829
Energy: 0.8166833012203472
Energy: 0.7066218452065881
Energy: 0.7903429062873044
Energy: 0.849636705138336
Energy: 0.8178773038646265
Energy: 0.8093862852092651
Energy: 0.8187191668966459
Energy: 0.8181280233993515
Energy: 0.8024120813854733
Energy: 0.8017158334589556
Energy: 0.8173441833366788
Energy: 0.8248396544849708
Energy: 0.7599819384313548
Energy: 0.8172924891784347
Energy: 0.7885969443632566
Energy: 0.7989888700975639
Energy: 0.8177245708264154
Energy: 0.8178867471757412
Energy: 0.7992426202101185
Energy: 0.8191213904965537
Energy: 0.8138461571805958
Energy: 0.8686591586106323
Energy: 0.8036083880234665
Energy: 0.8034393576309491
Energy: 0.8155897609089183
Energy: 0.8080087836189994
Energy: 0.8032659895106619
Energy: 0.8165476479663033
Energy: 0.8024213285239912
Energy: 0.8025356698461176
Energy: 0.8163822475355507
Energy: 0.8021392574331138
Energy: 0.802350140229758
Energy: 0.7566176148213596
Energy: 0.8143153224618211
Energy: 0.8139697121400652
Energy: 0.7558555679831371
Energy: 0.817712780371097
Energy: 0.8139900189097421
Energy: 0.791272065381027
Energy: 0.802607630358923
Energy: 0.8116292452699042
Energy: 0.7742903844012721
Energy: 0.803343101025389
Energy: 0.7742966288391009
Energy: 0.7563147224835057
Energy: 0.8138837773618338
Energy: 0.8135203133757752
Energy: 0.756247495397721
Energy: 0.8140163215366939
Energy: 0.7526008741862578
Energy: 0.765010006667557
Energy: 0.7777860030625505
Energy: 0.7529791549182498
Energy: 0.756958060238174
Energy: 0.7449088923433973
Energy: 0.7518932898546496
Energy: 0.7709203914442703
Energy: 0.7775176745479802
Energy: 0.7768354169798061
Energy: 0.772736630725977
Energy: 0.7487196125928435
Energy: 0.7790796091712412
Energy: 0.7718369406051155
Energy: 0.6911483311946127
Energy: 0.6907003709153188
Energy: 0.773325421583186
Energy: 0.6926446788386493
Energy: 0.6905226231498829
Energy: 0.7723415981475958
Energy: 0.7337755957634002
Energy: 0.7619043433966093
Energy: 0.7194632172338421
Energy: 0.7324442007556652
Energy: 0.7621714293964338
Energy: 0.6903446967881711
Energy: 0.7619486322992065
Energy: 0.7616883214873921
Energy: 0.6904417069194676
Energy: 0.7575935989010809
Energy: 0.6907353966883409
Energy: 0.6911458482780329
Energy: 0.7764370805531828
Energy: 0.6910051302536225
Energy: 0.6909029486052454
Energy: 0.7773675285557453
Energy: 0.6904929299792831
Energy: 0.7748714956674169
Energy: 0.777532561131265
Energy: 0.7780140573179565
Energy: 0.7576075772946793
Energy: 0.7719038216573588
Energy: 0.757569427667859
Energy: 0.7735850008800272
Energy: 0.7564189737071608
Energy: 0.7520605343588156
Energy: 0.773837630736935
Energy: 0.7616961848231876
Energy: 0.7520117882950281
Energy: 0.8012028582792154
Energy: 0.7601198753608438
Energy: 0.8101202696968539
Energy: 0.809263111023596
Energy: 0.7062664549808289
Energy: 0.8098402205213123
Energy: 0.8690949210748624
Energy: 0.7913343161066853
Energy: 0.7913407195717628
Energy: 0.816852654167148
Energy: 0.755342898598694
Energy: 0.7909542419790658
Energy: 0.8494391165066696
Energy: 0.8130320562772967
Energy: 0.8093273228696429
Energy: 0.8179215609763293
Energy: 0.7558826209377597
Energy: 0.8030054904906323
Energy: 0.8022095489697744
Energy: 0.8167225700635858
Energy: 0.8247394609034143
Energy: 0.7883579879600051
Energy: 0.8171618937165042
Energy: 0.7885838476007221

minimum gb energy = 0.6898967655350117 eV
minimum distance =  2.30964669157865 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.9806486188288134
Energy: 0.9887874130821427
Energy: 0.9897052189709501
Energy: 0.9027387855947532
Energy: 0.8479360578703713
Energy: 0.9880176950978798
Energy: 0.8685044614657033
Energy: 0.8469048811999144
Energy: 0.8460335687914012
Energy: 0.904409618796253
Energy: 0.8477386354453406
Energy: 0.8521193621608616
Energy: 0.9831923923611524
Energy: 0.877371034616796
Energy: 0.9127158218967748
Energy: 0.847113303918712
Energy: 0.8357206760112259
Energy: 0.9126427278738657
Energy: 0.8474474943924131
Energy: 0.8778365505569932
Energy: 0.9125132893214986
Energy: 0.8464229758659307
Energy: 0.8348971476016382
Energy: 0.8322561094066697
Energy: 0.830329634938497
Energy: 0.8472956297951666
Energy: 0.8518333729384112
Energy: 0.8303500040673859
Energy: 0.8475401606662831
Energy: 0.8512787904198743
Energy: 0.9211174739285778
Energy: 0.8506773644376601
Energy: 0.849877172768628
Energy: 0.8350123517752346
Energy: 0.8589919428539136
Energy: 0.8508137907092871
Energy: 0.8290041718260462
Energy: 0.9123403262201499
Energy: 0.8854832804271183
Energy: 0.8293141695231523
Energy: 0.9115165991337095
Energy: 0.8383310162937191
Energy: 0.8303268842566595
Energy: 0.8075836958267674
Energy: 0.8383409817461763
Energy: 0.8297303800318534
Energy: 0.8389320858363654
Energy: 0.838633349405794
Energy: 0.8940914469074717
Energy: 0.8395917518953488
Energy: 0.8397154988288255
Energy: 0.8906539061646117
Energy: 0.8583379142519905
Energy: 0.8830434920460644
Energy: 0.8555555325984225
Energy: 0.8351275406585343
Energy: 0.8392625475539375
Energy: 0.8460476113712151
Energy: 0.8309178772567756
Energy: 0.8384073927740497
Energy: 0.8603795831643224
Energy: 0.8403655476659998
Energy: 0.8500471209411221
Energy: 0.8513195192964103
Energy: 0.7865189418036403
Energy: 0.8522138216812154
Energy: 0.9826219251808713
Energy: 0.880038296501963
Energy: 0.8806893091778342
Energy: 0.8475777682206561
Energy: 0.7869694835830573
Energy: 0.8801183519989413
Energy: 0.9753250796366613
Energy: 0.8324918808124651
Energy: 0.8907590709182592
Energy: 0.8475948821419895
Energy: 0.9085711765424999
Energy: 0.9124344319757692
Energy: 0.9225395285424093
Energy: 0.8470453064152945
Energy: 0.7889088241043176
Energy: 0.7850009489975066
Energy: 0.8462846912519745
Energy: 0.7893508118390338

minimum gb energy = 0.7850009489975066 eV
minimum distance =  2.37954531646048 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.9935678646433317
Energy: 1.103387608848329
Energy: 1.1995485318480634
Energy: 1.073090073279179
Energy: 1.0990454457464542
Energy: 1.0357027012159827
Energy: 1.0514943703209214
Energy: 0.9499065216344962
Energy: 0.9457728074058557
Energy: 0.9716029057313086
Energy: 0.9505964433163167
Energy: 0.9728160370953985
Energy: 1.0981922654509115
Energy: 0.943849469936983
Energy: 0.9446612184259294
Energy: 1.0545892011093307
Energy: 0.9438353097620097
Energy: 0.9621144369524873
Energy: 0.9968950640646975
Energy: 0.9621303166436745
Energy: 0.9653987554359678
Energy: 0.9969336329455176
Energy: 0.9556058291877879
Energy: 0.9671786128760457
Energy: 0.9707808433573188
Energy: 0.9517844800557054
Energy: 0.9526357725218291
Energy: 0.9429460630004226
Energy: 0.9511080454223076
Energy: 0.9725741876333684
Energy: 0.9978232452249937
Energy: 0.9552025756670421
Energy: 0.9552834673248596
Energy: 0.975998094123596
Energy: 0.9896708003806349
Energy: 0.963845928467647
Energy: 0.970376909128787
Energy: 0.9549771710051442
Energy: 0.9554769110544844
Energy: 0.9705413431692742
Energy: 0.9660165485394164
Energy: 0.9517639074179669
Energy: 0.9606327354673762
Energy: 0.9594129939213545
Energy: 0.9711044246431977
Energy: 0.9506261842189524
Energy: 0.9702806769565622
Energy: 0.9693027220299602
Energy: 0.9930315247463588
Energy: 0.9734108023249499
Energy: 0.9704893502736053
Energy: 0.9418846337918494
Energy: 0.9531153429324396
Energy: 0.9420748281017512
Energy: 0.993104890017911
Energy: 0.9730180066492652
Energy: 0.9706436949429876
Energy: 0.9574342147617054
Energy: 0.9654849519082526
Energy: 0.9661277284482689
Energy: 0.9604022945735583
Energy: 0.9570821035674225
Energy: 0.973517320534726
Energy: 0.950938495288415
Energy: 0.9485138863250996
Energy: 0.9682346561825019
Energy: 1.001505910610049
Energy: 0.9668791429785298
Energy: 1.0062325627611446
Energy: 1.0022409608827885
Energy: 0.9479648166686928
Energy: 0.9771954244922113
Energy: 0.9452125874855136
Energy: 0.9774745964318117
Energy: 0.9751316374078124
Energy: 0.9451396618545417
Energy: 0.9710797153635712
Energy: 0.9561509886005014
Energy: 0.9636472204448108
Energy: 0.9527273453161668
Energy: 0.9528889053654374
Energy: 0.9632128380547877
Energy: 1.0326280826519567
Energy: 0.9483081729439932
Energy: 0.9454300790194782
Energy: 0.9647348695395068
Energy: 0.9652126359305037
Energy: 0.9493445533628333
Energy: 0.9683959514162683
Energy: 0.9645104614034973
Energy: 0.9394733695334546
Energy: 0.9646152485805157
Energy: 0.9649852030795443
Energy: 0.9405228976675329
Energy: 0.964997944887035
Energy: 0.965406363049112
Energy: 0.9569025961691624
Energy: 0.9647523126332009
Energy: 0.9648862707032732
Energy: 0.9569048722818175
Energy: 0.975452723630696
Energy: 0.9595876609293558
Energy: 0.953801140237156
Energy: 0.9809521484195566
Energy: 0.9804164760299112
Energy: 0.9714956222878289
Energy: 1.019179649647621
Energy: 0.9536582725756367
Energy: 0.9494788690047142
Energy: 0.9564252734413177
Energy: 0.9623221237320667
Energy: 0.9499986088278858
Energy: 0.964420872357424
Energy: 0.9687371775891077
Energy: 0.9731884145204206
Energy: 0.9423354793640056
Energy: 0.943439526482575
Energy: 0.95521219360513
Energy: 0.9422681120607409
Energy: 0.9629644649441261
Energy: 1.01442796254772
Energy: 0.966232624753325
Energy: 0.9585113364021808
Energy: 0.9637695002305554
Energy: 0.9533962342752269
Energy: 0.9633734496167655
Energy: 0.9806961365632352
Energy: 0.9620502437054816
Energy: 0.9631281771222135
Energy: 0.9463598133783402
Energy: 0.9605940956721882
Energy: 0.9674558194757651
Energy: 0.9629884636214925
Energy: 0.9554324197417432
Energy: 0.967434632256071
Energy: 0.9427362969869305
Energy: 0.9608885971024159
Energy: 0.9840172771064726
Energy: 1.0141744964926016
Energy: 0.9499212112506479
Energy: 0.9519647023042329
Energy: 0.9499007357900981
Energy: 0.9500667949402023
Energy: 0.9613827736842439
Energy: 1.0173534326920985
Energy: 0.9640468252522406
Energy: 0.9627805578266219
Energy: 0.9989323395786516
Energy: 0.9737033171983707
Energy: 0.9480752878408621
Energy: 1.0080765520448765
Energy: 0.9485106857624973
Energy: 0.9486403160572002
Energy: 0.9808678585320134
Energy: 0.9477772736761139
Energy: 0.9642769693268267
Energy: 1.008104944610586
Energy: 0.9396063405012373
Energy: 0.9617329941676789
Energy: 0.9645469889912845
Energy: 0.9412763007432786
Energy: 0.9653184766977045
Energy: 0.99732487248548
Energy: 0.9556945058890126
Energy: 0.9651115392365323
Energy: 0.9818058640263911
Energy: 0.9542557716679695
Energy: 0.9658681768605356
Energy: 1.098077081988056
Energy: 0.9435586380181248
Energy: 0.9461983905013344
Energy: 1.0626740438007876
Energy: 0.9802732755668911
Energy: 0.9635683841357744
Energy: 1.098051587564245
Energy: 0.9464405545420086
Energy: 0.9565194637171405
Energy: 0.9764326088530833
Energy: 0.9455739590988147
Energy: 0.9648285351683575
Energy: 0.97572166272578
Energy: 0.9997822346257823
Energy: 0.95182270889099
Energy: 0.9415500467564698
Energy: 0.9997477647878082
Energy: 0.9798250827574739

minimum gb energy = 0.9394733695334546 eV
minimum distance =  2.25677473350565 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.2558953437536655
Energy: 1.0503115850485516
Energy: 1.0512237852896988
Energy: 1.0518994078950126
Energy: 1.326498817499169
Energy: 1.0512148303036661
Energy: 0.9718976971698171
Energy: 0.9949881930481383
Energy: 0.9931725268654752
Energy: 0.9751718182418924
Energy: 0.9807350925518966
Energy: 0.9853698924198757
Energy: 1.041714749526758
Energy: 0.9996492078163556
Energy: 1.0026087959943868
Energy: 1.014264379237582
Energy: 1.0004094959068177
Energy: 1.0169600697666044
Energy: 0.9763463830174848
Energy: 0.9793260158192579
Energy: 0.982145609907076
Energy: 0.976576929651926
Energy: 1.0006073247946867
Energy: 0.990701227603231
Energy: 0.9751873402567706
Energy: 1.0146853154577022
Energy: 0.9935647236371627
Energy: 0.9734095766146678
Energy: 1.0143629801542726
Energy: 0.9933647459687881
Energy: 0.9808367061443085
Energy: 1.0215545395368228
Energy: 1.01175773151675
Energy: 1.0134049537725598
Energy: 1.023630815114058
Energy: 1.0154487202396356
Energy: 1.022624173304437
Energy: 0.9471818340708434
Energy: 0.9615614796629537
Energy: 1.021126522673742
Energy: 0.9443142747729626
Energy: 1.0105911653802515
Energy: 1.042768647677726
Energy: 0.9780499855211721
Energy: 0.9805376786119034
Energy: 0.9798318218327275
Energy: 0.9729856564756266
Energy: 0.9862101933059626
Energy: 0.9696803057333958
Energy: 1.0138764230546957
Energy: 1.0409758527577062
Energy: 0.9931376264718685
Energy: 1.0139920407600862
Energy: 1.043053157127925
Energy: 0.9697538166297588
Energy: 1.0138839176353283
Energy: 1.0412490768480192
Energy: 0.982085489463877
Energy: 1.0157267608697391
Energy: 1.0431565319164604
Energy: 1.0440417121751875
Energy: 0.9787842900772427
Energy: 0.9800996119076385
Energy: 0.9677326009035735
Energy: 0.9734173553436962
Energy: 0.9833492689107594
Energy: 1.0169476968951014
Energy: 0.9994123499005791
Energy: 1.000394709931613
Energy: 1.014934189566892
Energy: 1.000500453589158
Energy: 1.0166594997302707
Energy: 0.9785029254369578
Energy: 0.9842996289210125
Energy: 0.9833755655772006
Energy: 0.9816352150864994
Energy: 0.9792349134252839
Energy: 0.9829516213775206
Energy: 0.9652749077602476
Energy: 1.0145122639843716
Energy: 1.0188038539235658
Energy: 1.003676857775712
Energy: 1.0152599044422599
Energy: 1.0165277102337371
Energy: 0.9773707529344983
Energy: 0.9431401592723818
Energy: 0.9939315810572348
Energy: 0.9730194567158283
Energy: 0.9429473250616874
Energy: 0.9932657944614807
Energy: 1.0408897789427611
Energy: 0.9445049966212319
Energy: 0.9842911370503022
Energy: 1.0407537281601613
Energy: 0.9416096574208676
Energy: 1.017783063638163
Energy: 0.970712998104391
Energy: 0.9852951517322205
Energy: 0.988988811834832
Energy: 0.9773011252448811
Energy: 0.9804801157614276
Energy: 0.9841441922336538

minimum gb energy = 0.9416096574208676 eV
minimum distance =  2.3224648045317 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.456215374616135
Energy: 0.9879048577805428
Energy: 1.0313730705915753
Energy: 1.0238301191570658
Energy: 1.0680464442058608
Energy: 1.0331027534802786
Energy: 1.1465350401292216
Energy: 1.0022261080405197
Energy: 1.0017942201038852
Energy: 1.0113676559300926
Energy: 1.0020450111062351
Energy: 1.0127856725738282
Energy: 1.0559267504717031
Energy: 1.044025057480967
Energy: 1.0678052956690867
Energy: 1.0491611084759107
Energy: 1.041870962872404
Energy: 1.0432087570442914
Energy: 1.0227168274941563
Energy: 1.0236269742542798
Energy: 1.0218947438810737
Energy: 1.0321630160795288
Energy: 1.0285712546080419
Energy: 1.0218379492827563
Energy: 1.0194473531750445
Energy: 1.002176973614733
Energy: 1.0043499273990568
Energy: 1.019305739079158
Energy: 1.0034331481283278
Energy: 1.005761067323877
Energy: 1.0170272127893236
Energy: 1.0092739231776993
Energy: 1.0076834312967133
Energy: 1.012466407129122
Energy: 1.0069355156074686
Energy: 1.0073876279333007
Energy: 1.0268681584868768
Energy: 1.063648929129097
Energy: 1.0190337685328958
Energy: 1.0010591900111845
Energy: 1.0672215031317966
Energy: 1.0184534955161013
Energy: 1.063361990456285
Energy: 1.025647132555713
Energy: 1.011644337367045
Energy: 1.0159402946168146
Energy: 1.0295787816643471
Energy: 1.011353102752575
Energy: 1.1225017015439158
Energy: 1.001192107821626
Energy: 1.0026728662473434
Energy: 1.0482248022897693
Energy: 1.0009386263854176
Energy: 1.0434859808915842
Energy: 1.1216517698133073
Energy: 1.0009299053943939
Energy: 1.0050371864346805
Energy: 1.0573827651134629
Energy: 0.9997838630226108
Energy: 1.0074119080134796
Energy: 1.0638585922389756
Energy: 1.012776929201112
Energy: 1.0106045751912873
Energy: 0.9984113269776891
Energy: 1.0168294669819333
Energy: 1.0093102578401034
Energy: 1.0638459240197156
Energy: 1.0155119564517778
Energy: 1.0131774972178402
Energy: 1.0020110343995412
Energy: 1.0129323920075464
Energy: 1.012726847164491
Energy: 1.1419312292876516
Energy: 1.0417678148348546
Energy: 1.0423797109581554
Energy: 1.0752460347552413
Energy: 1.0435037223436006
Energy: 1.0644252290812348
Energy: 1.137617290438507
Energy: 1.0496971456261008
Energy: 1.0492657730540575
Energy: 1.073364264160673
Energy: 1.0490058150128114
Energy: 1.050079245431207
Energy: 1.0812238796975147
Energy: 1.0120869202527305
Energy: 1.0103013492730393
Energy: 0.9990439413423489
Energy: 1.0155143371191646
Energy: 1.0066061139931528
Energy: 1.042805838581818
Energy: 1.062478487301382
Energy: 0.9928483370675706
Energy: 1.0468560954994715
Energy: 1.047467894306589
Energy: 1.0017044651228733
Energy: 1.0826663513179615
Energy: 1.0236286888410304
Energy: 1.0243354623428276
Energy: 1.0534627520264697
Energy: 1.049862345498283
Energy: 1.0261503188283123
Energy: 1.086659075881355
Energy: 1.0464097262111125
Energy: 1.0456399882973002
Energy: 1.0467077992406322
Energy: 1.0490805330982944
Energy: 1.0459162173058463
Energy: 1.0541675433208335
Energy: 1.0148121155305905
Energy: 1.0143662821429646
Energy: 1.046261988661151
Energy: 1.0276069183786087
Energy: 1.0128709886606455
Energy: 1.0558633511577784
Energy: 1.0167384507861468
Energy: 1.015331275109872
Energy: 1.0506733798455714
Energy: 1.0216885136649583
Energy: 1.0445662535184759
Energy: 1.1071281207155261
Energy: 1.014493300704115
Energy: 1.0136366173942963
Energy: 1.0303848951990477
Energy: 1.0011213102946956
Energy: 1.0138851530392168

minimum gb energy = 0.9879048577805428 eV
minimum distance =  2.24427629404092 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.9325536329670333
Energy: 0.9166118215042312
Energy: 0.9148848747885759
Energy: 0.9345475684338114
Energy: 1.2660127696138885
Energy: 0.9144204227023497
Energy: 0.997615881883286
Energy: 0.9256260975791609
Energy: 0.9256775974219594
Energy: 0.9396473921089353
Energy: 0.9253990740670057
Energy: 0.9259514454449007
Energy: 0.9974934424259526
Energy: 0.9320292164684616
Energy: 0.9310103389315031
Energy: 0.9407847452507317
Energy: 0.9368517905774973
Energy: 0.9313392048443117
Energy: 0.9917092642357777
Energy: 0.9255628173146008
Energy: 0.9253534959677718
Energy: 0.9319182638008855
Energy: 0.9257949499186406
Energy: 0.9255470543994407
Energy: 0.9513024033390768
Energy: 0.9281070310253093
Energy: 0.9265739655295526
Energy: 0.951336161145703
Energy: 0.9251109876900928
Energy: 0.9263921824319994
Energy: 0.9997807864472026
Energy: 0.9330801218444574
Energy: 0.9329880231925958
Energy: 0.9409501961227323
Energy: 0.9323953577284854
Energy: 0.93274216936658
Energy: 1.0422627181810473
Energy: 0.9184105686131626
Energy: 0.9173894994273365
Energy: 0.9279047813185198
Energy: 0.9144822272818528
Energy: 0.9163857730444097
Energy: 1.064745263206847
Energy: 0.9417776955544362
Energy: 0.9244759207026861
Energy: 0.9251367056148951
Energy: 0.9521133073256309
Energy: 0.9242111752535093
Energy: 1.117000325121481
Energy: 0.933475387152744
Energy: 0.9313146747397645
Energy: 0.9248222274170662
Energy: 0.9320693635723357
Energy: 0.9323136937704478
Energy: 1.1170970756054495
Energy: 0.932274966939
Energy: 0.9247620536060865
Energy: 0.924889715600909
Energy: 0.932028648742259
Energy: 0.9258646624029546
Energy: 1.0419095567571772
Energy: 0.9245664992731095
Energy: 0.9244217595264668
Energy: 0.9257203645464342
Energy: 0.9524017315939203
Energy: 0.9245669566757974
Energy: 1.041130186245571
Energy: 0.9324020475192472
Energy: 0.933593245416874
Energy: 0.9253949846667424
Energy: 0.9311273184446901
Energy: 0.9252120947015271
Energy: 0.9426499199642289
Energy: 0.926607209183773
Energy: 0.9147997798859572
Energy: 0.9413672563166073
Energy: 0.9256305519880108
Energy: 0.9148057355142409
Energy: 0.9496856054495972
Energy: 0.9246819457922825
Energy: 0.9241313497353089
Energy: 0.9512559551750446
Energy: 0.9258848527020828
Energy: 0.9149361900555018
Energy: 0.9964648486091179
Energy: 0.9254054396019731
Energy: 0.9252527437814277
Energy: 0.9335568592983117
Energy: 0.9255647905237021
Energy: 0.9259168150553069
Energy: 0.9930902968353452
Energy: 0.9264196207869394
Energy: 0.9319319195766492
Energy: 0.9339542020302146
Energy: 0.9250041089872074
Energy: 0.9317577072190393
Energy: 0.9512874782083176
Energy: 0.92451855523673
Energy: 0.9243159087169549
Energy: 0.9496258549678906
Energy: 0.9252804684162856
Energy: 0.924616357680916
Energy: 0.9448407520629651
Energy: 0.9251443078018837
Energy: 0.9250846260263087
Energy: 0.9393005863515757
Energy: 0.9252321420081185
Energy: 0.9406108075830047
Energy: 1.040059329522293
Energy: 0.9150546654250696
Energy: 0.9150236435997255
Energy: 0.925123786789632
Energy: 0.9506330385230268
Energy: 0.9147046741864195
Energy: 1.0435519009122955
Energy: 0.9148730809491473
Energy: 0.9150815213128104
Energy: 0.9243900039126594
Energy: 0.9518882696228901
Energy: 0.9147404715712317
Energy: 1.1177142664036146
Energy: 0.9328125296360052
Energy: 0.9257965399461733
Energy: 0.9407075043987975
Energy: 0.9319089817901702
Energy: 0.9250531779483316
Energy: 0.9420957336871072
Energy: 0.9340384264266833
Energy: 0.9321083457410853
Energy: 0.9427504449932028
Energy: 0.9334937259717588
Energy: 0.9315791127662022
Energy: 1.063354491759395
Energy: 0.9395661800822693
Energy: 0.9260262155144013
Energy: 0.9255318492330687
Energy: 0.939848210629128
Energy: 0.925987922265837
Energy: 1.0453477634595612
Energy: 0.9262129069464157
Energy: 0.9254363143401837
Energy: 0.9255522146968679
Energy: 0.9254039034535577
Energy: 0.9323546555126371
Energy: 0.9496943533322201
Energy: 0.9248408182066515
Energy: 0.924170790362873
Energy: 0.9512361950982854
Energy: 0.9250155510983921
Energy: 0.9149051906601157

minimum gb energy = 0.9144204227023497 eV
minimum distance =  2.30152251321836 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.4303929942778222
Energy: 1.0743129666509295
Energy: 0.9357057298791496
Energy: 0.9226708570528084
Energy: 0.9566075644769606
Energy: 0.9525802698108246
Energy: 1.0903027672413867
Energy: 0.9703500647172104
Energy: 0.9427151389203599
Energy: 0.9424242840456057
Energy: 0.9691385359300231
Energy: 0.9425174194375866
Energy: 1.0475887950970557
Energy: 0.9383702776429499
Energy: 0.9399945672896796
Energy: 0.9388628755539707
Energy: 0.9382486154528953
Energy: 0.9405393485399246
Energy: 0.993549436571505
Energy: 0.9431505117426441
Energy: 0.9429696124870603
Energy: 0.9617842867883512
Energy: 0.9689737166953977
Energy: 0.9426636567610103
Energy: 0.956552812928415
Energy: 0.9386376447990243
Energy: 0.9398295534623828
Energy: 0.9482567086727128
Energy: 0.9388009534702465
Energy: 0.9384415461778712
Energy: 0.9803087267934658
Energy: 0.9429665154183091
Energy: 0.943103210600003
Energy: 0.9571536094046661
Energy: 0.9428163297430211
Energy: 0.9431485451992541
Energy: 1.0708005846837207
Energy: 0.9453632609312604
Energy: 0.9461385617138957
Energy: 1.0454335770594112
Energy: 0.9624836282346906
Energy: 0.9456988238401066
Energy: 1.0193607315380733
Energy: 0.9361077825186772
Energy: 0.942624490052896
Energy: 1.0207210621540348
Energy: 0.9359688881281225
Energy: 0.9427385263470298
Energy: 0.9524499770360892
Energy: 0.9433227124974539
Energy: 0.9432650310717294
Energy: 0.953249925070331
Energy: 0.9433757603309785
Energy: 0.9426173704830256
Energy: 0.9591130637707596
Energy: 0.958839833749207
Energy: 0.9573318770224831
Energy: 0.956840280597176
Energy: 0.9575303188253677
Energy: 0.9395391090653291
Energy: 1.0592276281373991
Energy: 0.9256318825056539
Energy: 0.9251028917332292
Energy: 0.932179312556024
Energy: 0.924667642250305
Energy: 0.9261154772735826
Energy: 1.0616038738087015
Energy: 0.9384381417229519
Energy: 0.9237896198572556
Energy: 0.9237170481866941
Energy: 0.9285785121735943
Energy: 0.9240197503276893
Energy: 1.002430410358628
Energy: 0.9563074197615858
Energy: 0.9466143142691331
Energy: 0.9227255590764728
Energy: 0.9593252603145979
Energy: 0.9857804443700325
Energy: 1.0696143742092412
Energy: 0.9386269894160506
Energy: 0.9384860011944547
Energy: 0.9238948446719314
Energy: 0.9692765880068772
Energy: 0.9444839278893833
Energy: 1.0575542255994788
Energy: 0.9235461940327462
Energy: 0.9231872971135847
Energy: 0.9236783801990261
Energy: 0.9312799123675142
Energy: 0.9231794245239904
Energy: 1.054430828487087
Energy: 0.9323008342699292
Energy: 0.9238380490264095
Energy: 0.9238220445083547
Energy: 0.9235542490159968
Energy: 0.9239136560053279
Energy: 0.9757155705784342
Energy: 0.9486593642688471
Energy: 0.9214232236323021
Energy: 0.9257844107366193
Energy: 0.9235271299251805
Energy: 0.9607753794843771
Energy: 1.031153048242422
Energy: 0.9235121708186469
Energy: 0.9235424044636439
Energy: 0.9229869957963478
Energy: 0.92449089690741
Energy: 0.9236702702122109
Energy: 1.0407717843373472
Energy: 0.921604381242062
Energy: 0.921445054823729
Energy: 0.9691926165328725
Energy: 0.9237575128439686
Energy: 0.9235390012857269
Energy: 0.9346833650689248
Energy: 0.921473968637108
Energy: 0.9213367274537196
Energy: 0.958315378391283
Energy: 0.9237789834216286
Energy: 0.9233752677426388
Energy: 0.9287119269452888
Energy: 0.923625273904765
Energy: 0.9233659909928426
Energy: 0.9323323377837935
Energy: 0.9236814279650998
Energy: 0.923191894234604
Energy: 0.9276111793338735
Energy: 0.9235205310192264
Energy: 0.9232562729356254
Energy: 0.9314615723203058
Energy: 0.9237351076107024
Energy: 0.9231879118391539
Energy: 0.9918887518711897
Energy: 0.9180444691058601
Energy: 0.9178972571701505
Energy: 0.9384568394703227
Energy: 0.9212188749529328
Energy: 0.9507723311981062
Energy: 1.0280612559338582
Energy: 0.9177329743353253
Energy: 0.9248962342075371
Energy: 1.0036342439847832
Energy: 0.924634214099662
Energy: 0.9249680880196505
Energy: 1.00909269646978
Energy: 0.9237580072005345
Energy: 0.9235816025679967
Energy: 0.9353805325491498
Energy: 0.9240338434652581
Energy: 0.9235065108264437
Energy: 0.971865530846473
Energy: 0.9238875394405878
Energy: 0.9245247798064423
Energy: 0.9381906715885429
Energy: 0.924097219492222
Energy: 0.9755727826427618
Energy: 1.0500499213027965
Energy: 0.9382906089407185
Energy: 0.9432258176490159
Energy: 0.9389491178567093
Energy: 0.9389163020347369
Energy: 0.9389186716898312
Energy: 1.0477313223715365
Energy: 0.9427424103335611
Energy: 0.9422059817519959
Energy: 0.9435702948430498
Energy: 0.962585598169741
Energy: 0.9422764931152202
Energy: 1.026035073140471
Energy: 1.038807997603095
Energy: 0.9426677935955518
Energy: 0.9154035203461238
Energy: 0.9775855171951913
Energy: 0.9233552460995177

minimum gb energy = 0.9154035203461238 eV
minimum distance =  2.25976953920174 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.3093678853409174
Energy: 1.058329868706863
Energy: 1.0603965366428088
Energy: 1.185061064418177
Energy: 0.9069679604676878
Energy: 1.1871355916174977
Energy: 1.0565105835659883
Energy: 0.9170026361910335
Energy: 0.9021151636939382
Energy: 0.892345089086536
Energy: 0.9078555083138814
Energy: 0.9012841800231333
Energy: 1.024254385376351
Energy: 0.8930778943019012
Energy: 0.8934607495213815
Energy: 0.928301473843703
Energy: 0.8934158829127565
Energy: 0.8940975684375825
Energy: 0.9480245956313983
Energy: 0.901626314446266
Energy: 0.901979361555417
Energy: 0.8922875057327381
Energy: 0.9067505417995565
Energy: 0.8926052960414431
Energy: 0.9055474900110574
Energy: 0.894017917388937
Energy: 0.8945943875070914
Energy: 0.9005724419153173
Energy: 0.9290889318786066
Energy: 0.90421009782125
Energy: 0.9437755317469005
Energy: 0.9199757313719705
Energy: 0.9195274446389712
Energy: 0.901210464206208
Energy: 0.8926108924619243
Energy: 0.8925748960514551
Energy: 1.0541554860570466
Energy: 0.9005386622645107
Energy: 0.890782420932602
Energy: 1.0604530974928383
Energy: 0.8880872079667755
Energy: 0.9002933661502263
Energy: 0.8994319304000317
Energy: 0.9026333934704694
Energy: 0.9022175586304119
Energy: 0.9525390230488238
Energy: 0.885776830834477
Energy: 0.9023716151608747
Energy: 0.8935795311993179
Energy: 0.8928588590704685
Energy: 0.8925734244127234
Energy: 0.8916737118101847
Energy: 0.8932042164732208
Energy: 0.8953002087773898
Energy: 0.8898461477374392
Energy: 0.8929241409950653
Energy: 0.8932184098200479
Energy: 0.89205145912942
Energy: 0.8931597190040854
Energy: 0.8935442473523806
Energy: 1.036706741374051
Energy: 0.8769070793574156
Energy: 0.876998436286462
Energy: 0.9892359940584594
Energy: 0.8785317791837649
Energy: 0.8783971228476374
Energy: 1.0320109332351155
Energy: 0.8926980876758641
Energy: 0.8933592259103165
Energy: 0.8925677956637388
Energy: 0.892719715578819
Energy: 0.893189150595834
Energy: 0.9325972165967739
Energy: 0.9057839418665012
Energy: 0.9053016420212199
Energy: 0.8845456333937012
Energy: 0.8876375079519316
Energy: 0.9051242146685112
Energy: 0.9320856175822168
Energy: 0.8934897244807013
Energy: 0.8936718202687531
Energy: 0.8921063339138986
Energy: 0.8924713253060367
Energy: 0.8932736482637312
Energy: 1.025546138301912
Energy: 0.893473105104278
Energy: 0.8936546807386102
Energy: 0.8928128919538519
Energy: 0.8908693848375495
Energy: 0.895277493683587
Energy: 1.0242576709668976
Energy: 0.9069704503408007
Energy: 0.893023078626314
Energy: 0.9025230234733405
Energy: 0.9011805978355063
Energy: 0.8926329499108077
Energy: 0.9531609809865461
Energy: 1.043989973682341
Energy: 0.906143534077913
Energy: 0.8665332324515216
Energy: 1.0484437719804431
Energy: 0.8763792343573304
Energy: 1.0573565105159382
Energy: 0.9024228581804469
Energy: 0.9028788213985693
Energy: 0.8998877456592054
Energy: 0.8921114340035264
Energy: 0.9251486074101973
Energy: 1.024129806098488
Energy: 0.8921002105826245
Energy: 0.9016050690536245
Energy: 0.8925879743569338
Energy: 0.8939284414906268
Energy: 0.9034549367310893
Energy: 1.0040384466094203
Energy: 0.9013363014470784
Energy: 0.9023871050352605
Energy: 0.8923255617885645
Energy: 0.9031519483762275
Energy: 0.902843436665745
Energy: 0.9079037355764902
Energy: 0.8926759078398449
Energy: 0.8946281301443793
Energy: 0.9014029469448989
Energy: 0.8927770492101953
Energy: 0.9032995909962517
Energy: 0.9478985604043955
Energy: 0.9032608594135895
Energy: 0.9033865925458098
Energy: 0.899355528825178
Energy: 0.9027822010375623
Energy: 0.9028867096234033
Energy: 1.0742616395864328
Energy: 0.8889175010160425
Energy: 0.8901493895906906
Energy: 1.074834790219181
Energy: 0.8851063287849883
Energy: 0.8912519296020646
Energy: 1.0549837002737108
Energy: 0.8882594670070298
Energy: 0.8887280068359764
Energy: 1.0495926153071231
Energy: 0.8843567608434386
Energy: 0.8927988454312631
Energy: 0.9019122704023776
Energy: 0.9030404062541566
Energy: 0.9025038668617494
Energy: 0.9036768974069604
Energy: 0.8925350599723623
Energy: 0.9020451298430977
Energy: 0.8936568213523445
Energy: 0.8929344270325463
Energy: 0.8936701255570911
Energy: 0.8885800615610694
Energy: 0.8929491139604352
Energy: 0.892799379116369
Energy: 0.9940329413163534
Energy: 0.878312274339232
Energy: 0.8783616642401495
Energy: 0.8924028220377078
Energy: 0.8785001625352244
Energy: 0.8778750892080727
Energy: 1.0259258621420526
Energy: 0.8763838696572404
Energy: 0.8765251080032949
Energy: 0.9502319296969263
Energy: 0.8722203760054953
Energy: 0.8930703309535989
Energy: 0.9317494720631071
Energy: 0.8927772761935343
Energy: 0.8929778885453715
Energy: 0.8862674978975398
Energy: 0.8928750007575975
Energy: 0.8925764389691325
Energy: 0.9322466583924536
Energy: 0.892964560496928
Energy: 0.893222451984891
Energy: 0.8845987445160132
Energy: 0.892498805379446
Energy: 0.8929273524429769
Energy: 1.0255601511297092
Energy: 0.8916559659312658
Energy: 0.8922951756543197
Energy: 0.8929280769983546
Energy: 0.8889328240615035
Energy: 0.8932595479524522
Energy: 1.0249773580038621
Energy: 0.8930357153934677
Energy: 0.9016316938592704
Energy: 0.8928974160580271
Energy: 0.9030316134635622
Energy: 0.9018403633605806
Energy: 0.9534964313629208
Energy: 0.8934744182970377
Energy: 0.9027650567776546
Energy: 0.866795735215957
Energy: 0.8928743529742599
Energy: 0.9060794224349281

minimum gb energy = 0.8665332324515216 eV
minimum distance =  2.24976536578937 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014137045000087521
Energy: 0.014819620550622074
Energy: 0.014743402616287156
Energy: 0.015710295554840454
Energy: 0.7627657708353365
Energy: 0.014709205921553541
Energy: 0.015272937956458165
Energy: 0.11170357036687366
Energy: 0.11023535125131008
Energy: 0.10954611778413358
Energy: 0.11141840908455616
Energy: 0.11006671983501774
Energy: 1.105566920919419
Energy: 0.7644075039432462
Energy: 0.7626518336991853
Energy: 0.760905078964056
Energy: 0.7622623168348305
Energy: 0.7624962182403341
Energy: 0.450222761270327
Energy: 0.11170357036772466
Energy: 0.11023535125303642
Energy: 0.10954611778328258
Energy: 0.11141840908496953
Energy: 0.11006671983458009

minimum gb energy = 0.014137045000087521 eV
minimum distance =  2.54014040744042 Angstroms
sigma value = 1