Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6131481304764748
cohesive_energy=3.4950398727056187
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013548185062697796
Energy: 0.014068633919338705
Energy: 0.26253675926574904
Energy: 0.014068633919338705
Energy: 0.014068633918710846
Energy: 1.4555135655428315
Energy: 0.014068633919931683
Energy: 1.4555135655422036
Energy: 0.2625367592675978
Energy: 0.014068633919931683
Energy: 0.013548185062697796
Energy: 0.014068633919931683
Energy: 0.014068633919338705
Energy: 1.4555135655434246
Energy: 0.014068633919338705
Energy: 1.4555135655422036

minimum gb energy = 0.013548185062697796 eV
minimum distance =  2.4462297269611 Angstroms
sigma value = 1


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

Energy: 1.4437458814392445
Energy: 1.528280204950252
Energy: 1.360178356480054
Energy: 1.5282802049494904
Energy: 1.3880639071585879
Energy: 1.5189676546637616
Energy: 1.3862329542559075
Energy: 1.5189676546622388
Energy: 1.224300925619572
Energy: 1.5133595437910081
Energy: 1.3838086948150592
Energy: 1.513359543792531
Energy: 1.3704847034015486
Energy: 1.5389913987913262
Energy: 1.3797019642362074
Energy: 1.5389913987920876
Energy: 1.3734240826492687
Energy: 1.528773994367818
Energy: 1.368080466796506
Energy: 1.528773994366295
Energy: 1.320423078011132
Energy: 1.4786648789342034
Energy: 1.3581949662010346
Energy: 1.4786648789357262
Energy: 1.3887029946621359
Energy: 1.5132595424519926
Energy: 1.3218728718121817
Energy: 1.5132595424497082
Energy: 1.23569660217488
Energy: 1.5285878575863587
Energy: 1.3518897198817836
Energy: 1.5285878575855973
Energy: 1.3799002640681937
Energy: 1.3890469313226586
Energy: 1.3694028645080647
Energy: 1.38904693132342
Energy: 1.3640017814959289
Energy: 1.5129111612658626
Energy: 1.2254198148451683
Energy: 1.51291116126434
Energy: 1.3764947980273294
Energy: 1.4787581078173675
Energy: 1.3797240706169487
Energy: 1.4787581078188905
Energy: 1.3612608832276971
Energy: 1.5286083910001083
Energy: 1.3779190530679333
Energy: 1.5286083910008699
Energy: 1.3850654714275892
Energy: 1.5132770374528832
Energy: 1.391603596984765
Energy: 1.513277037453645
Energy: 1.3847213144997632
Energy: 1.5205652679950334
Energy: 1.374389492863017
Energy: 1.5205652679965216
Energy: 1.302070200487685
Energy: 1.5287934956070357
Energy: 1.382647384422095
Energy: 1.5287934956047515
Energy: 1.2990837159441562
Energy: 1.5287797332258686
Energy: 1.3826769473152134
Energy: 1.5287797332266302
Energy: 1.3852312226390853
Energy: 1.5132515091887897
Energy: 1.30240032887722
Energy: 1.5132515091903127
Energy: 1.3866098539492253
Energy: 1.5134507741200987
Energy: 1.3873774738506433
Energy: 1.5134507741200987
Energy: 1.2591658915589796
Energy: 1.5283073551692876
Energy: 1.4017972009695088
Energy: 1.5283073551685262
Energy: 1.3865809242682818
Energy: 1.388739659782335
Energy: 1.3818237109493545
Energy: 1.388739659783858
Energy: 1.36089036354367
Energy: 1.5131830348547666
Energy: 1.2246921696836441
Energy: 1.5131830348540052
Energy: 1.3801430437744502
Energy: 1.4906375149829136
Energy: 1.370403898689371
Energy: 1.4906375149844366
Energy: 1.3047005737716495
Energy: 1.5288512277073805
Energy: 1.304850646805307
Energy: 1.5288512277058575
Energy: 1.3584213250292727
Energy: 1.5140403858213276
Energy: 1.3204768471319814
Energy: 1.5140403858228504
Energy: 1.3216795238463042
Energy: 1.4766937772682323
Energy: 1.3884271071466585
Energy: 1.4766937772659479
Energy: 1.3702008870987488
Energy: 1.5286588985857434
Energy: 1.2355304881558147
Energy: 1.5286588985865048
Energy: 1.3693883393324644
Energy: 1.5191894501114511
Energy: 1.3793742447878803
Energy: 1.5191894501114511
Energy: 1.2243135600993755
Energy: 1.5131042988384358
Energy: 1.3829497477921624
Energy: 1.5131042988407202
Energy: 1.385931198882887
Energy: 1.521955289890508
Energy: 1.3803627082949257
Energy: 1.521955289890508
Energy: 1.4031687003831879
Energy: 1.5283806235960824
Energy: 1.361994347618472
Energy: 1.5283806235968438
Energy: 1.3789472593109402
Energy: 1.5192064113289996
Energy: 1.3846331128914169
Energy: 1.5192064113305226
Energy: 1.359867371201327
Energy: 1.513605637146284
Energy: 1.3859449033078244
Energy: 1.5136056371478066
Energy: 1.3733082392084348
Energy: 1.538667979685875
Energy: 1.3830528793762182
Energy: 1.5386679796873979

minimum gb energy = 1.224300925619572 eV
minimum distance =  2.25817165311344 Angstroms
sigma value = 1


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

Energy: 1.5483145615276763
Energy: 1.644747214498626
Energy: 1.4619790260248875
Energy: 1.6447472144951532
Energy: 1.469402746912638
Energy: 1.5871074752548742
Energy: 1.4727041657010673
Energy: 1.5871074752522696
Energy: 1.3075672978527602
Energy: 1.6448739667453938
Energy: 1.3210173210482417
Energy: 1.6448739667453938
Energy: 1.4635436764938168
Energy: 1.5707329149565414
Energy: 1.4016705544264665
Energy: 1.5707329149539369
Energy: 1.4639934770099647
Energy: 1.6237415554025751
Energy: 1.4562413521458362
Energy: 1.6237415554008385
Energy: 1.484314652484537
Energy: 1.624261548476381
Energy: 1.4623940839009097
Energy: 1.624261548475513
Energy: 1.4642347613337203
Energy: 1.5694332219062963
Energy: 1.401718978159308
Energy: 1.5694332219079932
Energy: 1.3071759394536864
Energy: 1.6446978353222912
Energy: 1.4567792613435795
Energy: 1.6446978353257637
Energy: 1.4649060081597802
Energy: 1.498252101842404
Energy: 1.4726519200633135
Energy: 1.498252101843272
Energy: 1.503416304806764
Energy: 1.6450765518773365
Energy: 1.3035567189755686
Energy: 1.6450765518764683
Energy: 1.4639717285890892
Energy: 1.6216431039437784
Energy: 1.4731480745440821
Energy: 1.6216431039437784
Energy: 1.3869286483366245
Energy: 1.6346339247157227
Energy: 1.321217154384253
Energy: 1.6346339247148547
Energy: 1.4919981553009993
Energy: 1.6231523782759627
Energy: 1.4272367527977998
Energy: 1.62315237827249
Energy: 1.4920840264544963
Energy: 1.6230740231463134
Energy: 1.4605060962380407
Energy: 1.6230740231454452
Energy: 1.3869105310690275
Energy: 1.6347360903682215
Energy: 1.3211885261468699
Energy: 1.6347360903664852
Energy: 1.4639850317999799
Energy: 1.6217536453580255
Energy: 1.4731467495904986
Energy: 1.6217536453554209
Energy: 1.5033370869174987
Energy: 1.6450524292639004
Energy: 1.3494843564267693
Energy: 1.6450524292639004
Energy: 1.4648258741067608
Energy: 1.4980931580963393
Energy: 1.4726483380706694
Energy: 1.4980931580963393
Energy: 1.3071850651657653
Energy: 1.644872527130624
Energy: 1.4568354005014204
Energy: 1.644872527129756
Energy: 1.4642265560871481
Energy: 1.5694553623742813
Energy: 1.409794800372856
Energy: 1.5694553623812268
Energy: 1.484367418314652
Energy: 1.6242314672712603
Energy: 1.456891157032115
Energy: 1.6242314672703921
Energy: 1.4639882715170038
Energy: 1.623582226084997
Energy: 1.385611023945418
Energy: 1.623582226084997
Energy: 1.4635411116815098
Energy: 1.5708279176555238
Energy: 1.4016616041144665
Energy: 1.5708279176520512
Energy: 1.3074719331597362
Energy: 1.6447527498627421
Energy: 1.3212275034970238
Energy: 1.644752749861874
Energy: 1.4694384195754475
Energy: 1.5871815254920407
Energy: 1.4727958787127986
Energy: 1.5871815254903043
Energy: 1.548314561526808
Energy: 1.644747214498626
Energy: 1.387877431858202
Energy: 1.6447472144951532
Energy: 1.469402746912638
Energy: 1.5871074752531378
Energy: 1.4727041656993312
Energy: 1.5871074752522696
Energy: 1.3075672978544965
Energy: 1.6448739667445256
Energy: 1.3210173210482417
Energy: 1.6448739667453938
Energy: 1.4635436764955532
Energy: 1.5707329149565414
Energy: 1.4121710051898277
Energy: 1.5707329149539369

minimum gb energy = 1.3035567189755686 eV
minimum distance =  2.24146237582361 Angstroms
sigma value = 25


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

Energy: 1.635837715282178
Energy: 1.7533709328271412
Energy: 1.5820685050257213
Energy: 1.7533709328271412
Energy: 1.5085720717081808
Energy: 1.6958461975038543
Energy: 1.584892332205701
Energy: 1.695846197501836
Energy: 1.4034844623826228
Energy: 1.7875662754732369
Energy: 1.585236657063171
Energy: 1.7875662754732369
Energy: 1.5731650943527171
Energy: 1.719111982125966
Energy: 1.5090550430289285
Energy: 1.7191119821269751
Energy: 1.5079307482996447
Energy: 1.7532527007433056
Energy: 1.5443955683538593
Energy: 1.7532527007433056
Energy: 1.6165533108777128
Energy: 1.787098473013028
Energy: 1.5856257646999934
Energy: 1.7870984730120187
Energy: 1.5877584142893524
Energy: 1.5940755972622909
Energy: 1.5432976169254067
Energy: 1.5940755972622909
Energy: 1.6039258287526132
Energy: 1.7533771820816577
Energy: 1.425683402387004
Energy: 1.7533771820826674
Energy: 1.5436295007840601
Energy: 1.6890658562930716
Energy: 1.5878641385498355
Energy: 1.6890658562920622
Energy: 1.5846627704740939
Energy: 1.7876536082492465
Energy: 1.4951519288686999
Energy: 1.7876536082492465
Energy: 1.4909831716335826
Energy: 1.7530524480553482
Energy: 1.5844175275997217
Energy: 1.7530524480553482
Energy: 1.5093228697515093
Energy: 1.7534751203690278
Energy: 1.5843385420023033
Energy: 1.753475120370037
Energy: 1.5854785200927222
Energy: 1.7155120023902526
Energy: 1.4956631501148485
Energy: 1.7155120023902526
Energy: 1.5432574360196287
Energy: 1.613963770949834
Energy: 1.5878616333342925
Energy: 1.613963770949834
Energy: 1.453225824296399
Energy: 1.7535224613515898
Energy: 1.423346333593666
Energy: 1.7535224613515898
Energy: 1.5849632689374102
Energy: 1.5939729580393545
Energy: 1.507607789070865
Energy: 1.593972958038345
Energy: 1.4028027235555616
Energy: 1.7876711450183667
Energy: 1.402796210283655
Energy: 1.7876711450173575
Energy: 1.5093235581092408
Energy: 1.753499637932444
Energy: 1.5728560461117318
Energy: 1.753499637932444
Energy: 1.5012850352766125
Energy: 1.7167944066685066
Energy: 1.5080717677487998
Energy: 1.7167944066715115
Energy: 1.506759924525611
Energy: 1.7869363111563157
Energy: 1.588032260252971
Energy: 1.786936311155306
Energy: 1.599422951993551
Energy: 1.6931643598933668
Energy: 1.5873949904091602
Energy: 1.6931643598933668
Energy: 1.6131558435707536
Energy: 1.7531930587926434
Energy: 1.5887524548904945
Energy: 1.7531930587926434
Energy: 1.587648000470611
Energy: 1.6963610645207647
Energy: 1.5848612164054579
Energy: 1.6963610645197555
Energy: 1.4037649808092187
Energy: 1.7874420279243386
Energy: 1.5846322437900109
Energy: 1.7874420279243386
Energy: 1.5846898408052978
Energy: 1.716821002933138
Energy: 1.509561744592183
Energy: 1.716821002933138

minimum gb energy = 1.402796210283655 eV
minimum distance =  2.23962955944797 Angstroms
sigma value = 9


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

Energy: 1.8104362101820461
Energy: 1.7740608289174937
Energy: 1.7234590209867433
Energy: 1.7740608289186977
Energy: 1.6512808542000583
Energy: 1.8407130971038412
Energy: 1.7050164254661304
Energy: 1.8407130971074532
Energy: 1.5079726698697782
Energy: 1.7740426654764605
Energy: 1.704089980486985
Energy: 1.7740426654752564
Energy: 1.7218775624417098
Energy: 1.9063409835512084
Energy: 1.5476543796029851
Energy: 1.9063409835512084
Energy: 1.7680326016500512
Energy: 1.840939987478061
Energy: 1.704372601763389
Energy: 1.8409399874756802
Energy: 1.506900357943975
Energy: 1.7379641021217238
Energy: 1.5372786635545836
Energy: 1.7379641021217238
Energy: 1.7255492485521295
Energy: 1.5481113668255877
Energy: 1.5510406711240934
Energy: 1.5481113668267916
Energy: 1.63271399837705
Energy: 1.7356728751453505
Energy: 1.5381778745623627
Energy: 1.7356728751465547
Energy: 1.72582155536748
Energy: 1.8409964676553405
Energy: 1.7041703883677193
Energy: 1.8409964676589523
Energy: 1.7210857746589674
Energy: 1.724609887335614
Energy: 1.5479124381021505
Energy: 1.72460988733441
Energy: 1.6148638843920295
Energy: 1.8772555631616465
Energy: 1.7041980348962962
Energy: 1.8772555631616465
Energy: 1.7215097150204959
Energy: 1.7739196958114107
Energy: 1.547543352786679
Energy: 1.7739196958137915
Energy: 1.5077595578481922
Energy: 1.7743757799164572
Energy: 1.5065572348123022
Energy: 1.7743757799176612
Energy: 1.6080558082525094
Energy: 1.7355139604533958
Energy: 1.7051970853504115
Energy: 1.735513960458212
Energy: 1.5077588384087248
Energy: 1.774509106562404
Energy: 1.6325851483588272
Energy: 1.7745091065612002
Energy: 1.7215206718457872
Energy: 1.7743324851359086
Energy: 1.547564071127726
Energy: 1.7743324851371125
Energy: 1.614871381376474
Energy: 1.8772488825053186
Energy: 1.7042204218017585
Energy: 1.8772488825065226
Energy: 1.7211516948263417
Energy: 1.725064143825324
Energy: 1.5478874586880185
Energy: 1.725064143825324
Energy: 1.7258343128330866
Energy: 1.840997942687932
Energy: 1.7041385108880944
Energy: 1.8409979426855236
Energy: 1.6327415112592016
Energy: 1.7357937751479222
Energy: 1.5381726314672501
Energy: 1.73579377515033
Energy: 1.724949700735004
Energy: 1.5481026679139551
Energy: 1.5509501029063864
Energy: 1.5481026679115473

minimum gb energy = 1.5065572348123022 eV
minimum distance =  2.32082341354114 Angstroms
sigma value = 25


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

Energy: 1.6527071137969291
Energy: 2.028501079612346
Energy: 1.9083040401096225
Energy: 2.028501079612346
Energy: 1.6354833869169845
Energy: 1.867538113605036
Energy: 1.6202634167372876
Energy: 1.867538113606525
Energy: 1.6221957112546934
Energy: 1.6492363780860928
Energy: 1.6201457602067677
Energy: 1.6492363780875818
Energy: 1.6485520945354462
Energy: 1.6211720209049076
Energy: 1.770112610573718
Energy: 1.6211720209063964
Energy: 1.7705710949763236
Energy: 1.6346281600847588
Energy: 1.701020809978063
Energy: 1.6346281600847588
Energy: 1.6215926484705032
Energy: 2.058250339054573
Energy: 1.6217346812553186
Energy: 2.058250339053084
Energy: 1.6206219074543713
Energy: 1.6383865884060838
Energy: 1.620190618563647
Energy: 1.6383865884075726
Energy: 1.7695115476882206
Energy: 2.0299224922961643
Energy: 1.6481129179881362
Energy: 2.0299224922961643
Energy: 1.6202141645885786
Energy: 1.866843460710916
Energy: 1.6343032989188866
Energy: 1.866843460710916
Energy: 1.8225225720618345
Energy: 1.6661150937989846
Energy: 1.6210685185625862
Energy: 1.6661150938004736
Energy: 1.701921580456086
Energy: 2.031390513759273
Energy: 1.9128503862547186
Energy: 2.031390513759273
Energy: 1.6204257113961589
Energy: 1.666340526028848
Energy: 1.823107447359181
Energy: 1.6663405260303368
Energy: 1.7827071355578832
Energy: 1.6499566249813107
Energy: 1.6212966621362266
Energy: 1.6499566249842887
Energy: 1.62010367032432
Energy: 1.6376576721935714
Energy: 1.6488817392102633
Energy: 1.6376576721935714
Energy: 1.6686163419549633
Energy: 2.0309685405096207
Energy: 1.7715610183171364
Energy: 2.0309685405081317
Energy: 1.634614972257578
Energy: 1.7132529416567077
Energy: 1.6216117337978684
Energy: 1.7132529416537294
Energy: 1.6204319485074694
Energy: 1.7435401564697581
Energy: 1.8233039943275695
Energy: 1.7435401564697581

minimum gb energy = 1.62010367032432 eV
minimum distance =  2.30777633289567 Angstroms
sigma value = 17


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

Energy: 1.8860358359857652
Energy: 1.8824120401683795
Energy: 2.028503638925332
Energy: 1.8824120401692228
Energy: 1.8201438323921113
Energy: 1.7603474875987084
Energy: 1.6671412405961887
Energy: 1.7603474875987084
Energy: 1.8094789977488688
Energy: 1.7707561561369516
Energy: 1.6667619026200842
Energy: 1.7707561561369516
Energy: 1.6702906567351494
Energy: 1.6820342528180554
Energy: 1.7640883147560573
Energy: 1.6820342528172123
Energy: 1.8462942143022107
Energy: 1.7690365686253877
Energy: 1.7118589763373258
Energy: 1.769036568626231
Energy: 1.6829703182576858
Energy: 1.7136721386598865
Energy: 1.7971565926289599
Energy: 1.7136721386598865
Energy: 1.6681314879095683
Energy: 1.757488862767082
Energy: 1.6669257007112157
Energy: 1.7574888627679255
Energy: 1.799233808634138
Energy: 1.680842645389086
Energy: 1.6769813202228734
Energy: 1.6808426454042646
Energy: 1.6775975188876031
Energy: 1.817867004452626
Energy: 1.8514866035624793
Energy: 1.8178670044543124
Energy: 1.9408087508021115
Energy: 1.7327512853348972
Energy: 1.6671489425353807
Energy: 1.7327512853332108
Energy: 1.6740588189611323
Energy: 1.6805638991711251
Energy: 1.8146700109829295
Energy: 1.6805638991660656
Energy: 1.6773868608104563
Energy: 1.7576048410627987
Energy: 1.6772602810174735
Energy: 1.757604841063642
Energy: 1.8132921704033085
Energy: 1.6811465787024993
Energy: 1.6762784627378113
Energy: 1.6811465787024993
Energy: 1.6668619268599896
Energy: 1.8310843974368491
Energy: 1.8202455413443308
Energy: 1.8310843974376925
Energy: 1.7817943452744434
Energy: 1.7575596650068914
Energy: 1.6777287894898796
Energy: 1.757559665006048
Energy: 1.8073537344644122
Energy: 1.6811166076531354
Energy: 1.7992989084730744
Energy: 1.6811166076548218
Energy: 1.6671021855220975
Energy: 1.803703849628682
Energy: 1.9445162734456356
Energy: 1.803703849628682
Energy: 1.8376782152303546
Energy: 1.6725358228255713
Energy: 1.6828924159227643
Energy: 1.6725358228247278
Energy: 1.6668769355957846
Energy: 1.7589075153832763
Energy: 1.7843081992865302
Energy: 1.758907515384963
Energy: 1.6668381285156695
Energy: 1.6819304928925323
Energy: 1.6708211046522643
Energy: 1.681930492888316
Energy: 1.7336448337798531
Energy: 1.6720591901655881
Energy: 1.8091309887326774
Energy: 1.6720591901647448
Energy: 1.6675445796641053
Energy: 1.852866028910886
Energy: 1.944622936198691
Energy: 1.8528660289083563
Energy: 1.8677392110715574
Energy: 1.681202490817426
Energy: 1.668402070694956
Energy: 1.681202490817426
Energy: 1.6763135064382961
Energy: 1.7575813170173777
Energy: 1.811492116421148
Energy: 1.757581317018221
Energy: 1.6761675741255064
Energy: 1.7709702761722834
Energy: 1.8101313511989254
Energy: 1.7709702761714403
Energy: 1.8343596248962675
Energy: 1.6823474907949227
Energy: 1.6698997048813622
Energy: 1.6823474907949227
Energy: 1.6984338675645132
Energy: 1.8528286177556843
Energy: 1.9801864855138398
Energy: 1.8528286177565276
Energy: 1.7971181240044338
Energy: 1.716002435976684
Energy: 1.8108443374579433
Energy: 1.71600243597837
Energy: 1.9208267450698695
Energy: 1.8401973828320832
Energy: 1.6728817106640168
Energy: 1.8401973828346128
Energy: 1.6769570268051621
Energy: 1.818907036783941
Energy: 1.838147127410021
Energy: 1.8189070367847842

minimum gb energy = 1.6667619026200842 eV
minimum distance =  2.30298255759252 Angstroms
sigma value = 53


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

Energy: 1.638494644074822
Energy: 1.6363070298977593
Energy: 2.0806419520530337
Energy: 1.6363070298958178
Energy: 1.8719095254062141
Energy: 1.7456818315108975
Energy: 1.6856864403072755
Energy: 1.745681831508956
Energy: 1.6398898496636187
Energy: 1.6358631188993864
Energy: 1.6848911916362748
Energy: 1.6358631189012836
Energy: 1.6398669438196156
Energy: 1.6357788233002069
Energy: 1.684835282551392
Energy: 1.6357788233021482
Energy: 1.8718255676703122
Energy: 1.7456709767882508
Energy: 1.7485437732132265
Energy: 1.7456709767901923
Energy: 1.638494644074822
Energy: 1.6363070298977593
Energy: 1.9418803262288566
Energy: 1.6363070298958178
Energy: 1.8719095254062141
Energy: 1.7456818315108975
Energy: 1.6856864403072755
Energy: 1.745681831508956
Energy: 1.6398898496636187
Energy: 1.6358631188993864
Energy: 1.7306915962407508
Energy: 1.6358631189012836
Energy: 1.6398669438196156
Energy: 1.6357788233021482
Energy: 1.748843539740364
Energy: 1.6357788233040895
Energy: 1.8718255676703122
Energy: 1.7456709767901923
Energy: 1.8439222935626973
Energy: 1.7456709767901923
Energy: 1.638494644074822
Energy: 1.6363070298977593
Energy: 1.8901514347496313
Energy: 1.6363070298958178
Energy: 1.8719095254062141
Energy: 1.745681831508956
Energy: 1.7487677877295127
Energy: 1.745681831508956
Energy: 1.6398898496636187
Energy: 1.6358631188993864
Energy: 1.8777930123901654
Energy: 1.6358631189012836

minimum gb energy = 1.6357788233002069 eV
minimum distance =  2.29207662166414 Angstroms
sigma value = 9


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

Energy: 1.7632965290012381
Energy: 1.9081537699993127
Energy: 2.1907551588984666
Energy: 1.9081537699985944
Energy: 1.903113298452529
Energy: 1.7978855663097946
Energy: 1.71483729121581
Energy: 1.7978855663112316
Energy: 1.7120264659843363
Energy: 1.747193473499589
Energy: 1.7264764416732064
Energy: 1.747193473498152
Energy: 1.84464545846571
Energy: 1.9599508799873757
Energy: 1.7151321714508445
Energy: 1.9599508799909684
Energy: 1.9173597566448937
Energy: 1.8262597829762257
Energy: 1.7194418298782415
Energy: 1.8262597829747886
Energy: 1.748887815332148
Energy: 1.747016216029152
Energy: 1.8373442795771986
Energy: 1.7470162160284335
Energy: 2.103908161566242
Energy: 1.821326245581372
Energy: 1.7246659389733332
Energy: 1.821326245581372
Energy: 1.719778190338535
Energy: 1.9320539146047389
Energy: 1.863522391225646
Energy: 1.9320539146054576
Energy: 1.7148435147563632
Energy: 1.974252149401867
Energy: 1.750389651282729
Energy: 1.974252149401867
Energy: 1.7129809675868817
Energy: 1.8071785629540493
Energy: 1.723051984484062
Energy: 1.8071785629554866
Energy: 1.7218709048123864
Energy: 1.8591170621365183
Energy: 2.0603644310686637
Energy: 1.8591170621365183
Energy: 1.8812365273772416
Energy: 1.9527957891604801
Energy: 1.7178383549051146
Energy: 1.9527957891583245
Energy: 1.7148284464116421
Energy: 1.8204082232365806
Energy: 1.976072989677738
Energy: 1.820408223243766
Energy: 1.8505192363305498
Energy: 1.8586569511508622
Energy: 1.7662452084430111
Energy: 1.8586569511415214
Energy: 1.7226032472241466
Energy: 1.8711955981403412
Energy: 1.862266478823599
Energy: 1.871195598137467
Energy: 1.7180674495303148
Energy: 1.9734076542540562
Energy: 1.8436026301551796
Energy: 1.9734076542533374
Energy: 1.807604759366285
Energy: 1.870646691030707
Energy: 1.7225410957776415
Energy: 1.8706466910321442
Energy: 1.7252506677388504
Energy: 1.822227457477025
Energy: 1.915122044976754
Energy: 1.8222274574763067
Energy: 1.927020999612106
Energy: 1.8201413738051184
Energy: 1.7498607529578494
Energy: 1.8201413738029628
Energy: 1.718696217590782
Energy: 1.8201366257202964
Energy: 1.8246073738976483
Energy: 1.8201366257210148
Energy: 1.8420317948662432
Energy: 1.955002190022366
Energy: 1.8470450498475717
Energy: 1.955002190024522
Energy: 1.8280132171441585
Energy: 1.885286714261106
Energy: 1.713268440957845
Energy: 1.8852867142618248
Energy: 1.750006237612878
Energy: 1.8870588809688729
Energy: 1.7151176783503304
Energy: 1.88705888097031
Energy: 2.11139771629019
Energy: 1.8563486516728653
Energy: 1.7193420235577752
Energy: 1.8563486516721466
Energy: 1.7255715567535133
Energy: 1.9653378862814908
Energy: 2.007906438010439
Energy: 1.9653378862814908
Energy: 1.7753913949583389
Energy: 1.7470279338281833
Energy: 1.712917331049306
Energy: 1.7470279338289019
Energy: 1.8545408414613647
Energy: 1.9469735047988204
Energy: 1.844087440828877
Energy: 1.946973504796665
Energy: 1.7263664996074213
Energy: 1.9602654286635675
Energy: 1.8447718141433571
Energy: 1.9602654286621302
Energy: 1.7898186273612724
Energy: 1.7464433217314783
Energy: 1.7118728121432127
Energy: 1.746443321732883
Energy: 1.7148955689108245
Energy: 1.9640294408711456
Energy: 2.0078994494145
Energy: 1.964029440874738
Energy: 1.8733298805423453
Energy: 2.119079948751873
Energy: 1.7185887193888223
Energy: 2.1190799487540293
Energy: 1.7144175658639438
Energy: 1.8151485887285257
Energy: 1.712903375381333
Energy: 1.8151485887278074
Energy: 1.7267530919839593
Energy: 1.8838469707536132
Energy: 1.7120729773253818
Energy: 1.8838469707514578
Energy: 1.8417611104319112
Energy: 1.9585671140340382
Energy: 1.844567881804282
Energy: 1.958567114032601
Energy: 1.7188745117734348
Energy: 1.9205696437930433
Energy: 2.1049435272600823
Energy: 1.9205696437944804

minimum gb energy = 1.7118728121432127 eV
minimum distance =  2.28883588964902 Angstroms
sigma value = 73


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

Energy: 1.8882992124181235
Energy: 1.8086346930708808
Energy: 2.0749911390220643
Energy: 1.8086346930686006
Energy: 1.82358466779436
Energy: 1.869221850284519
Energy: 1.7165665011942273
Energy: 1.869221850283379
Energy: 1.7218792983935558
Energy: 2.037265075318578
Energy: 1.7309384099915863
Energy: 2.0372650753174377
Energy: 1.7069269338341622
Energy: 1.9481075896790363
Energy: 1.7496209068688353
Energy: 1.9481075896778963
Energy: 1.778977582872511
Energy: 1.8652589131377604
Energy: 1.777565189648167
Energy: 1.8652589131366204
Energy: 1.7445706693527283
Energy: 2.0392260775628395
Energy: 1.9333117180923614
Energy: 2.0392260775662594
Energy: 2.1058218796064736
Energy: 1.9234691890933173
Energy: 1.7179405992282222
Energy: 1.9234691890944573
Energy: 1.7232438220299757
Energy: 1.7600697678759605
Energy: 2.04904576547371
Energy: 1.7600697678759605
Energy: 2.024171197682878
Energy: 1.7189037524462498
Energy: 1.7196032632837497
Energy: 1.7189037524462498
Energy: 1.7192999476914652
Energy: 1.841930933657872
Energy: 1.7192002584399608
Energy: 1.8419309336567322
Energy: 1.7253303950202554
Energy: 1.719580500759804
Energy: 1.9484585400260943
Energy: 1.7195805007609437
Energy: 1.9168732434406253
Energy: 1.9444061250849267
Energy: 1.7061474102628904
Energy: 1.9444061250837867
Energy: 1.7453945550304948
Energy: 1.839685917742351
Energy: 2.074446624109068
Energy: 1.839685917743491
Energy: 2.0028871837873274
Energy: 1.9254265471244398
Energy: 1.744195575091108
Energy: 1.9254265471244398
Energy: 1.7237173828005803
Energy: 1.9519935071310819
Energy: 1.9755293191170413
Energy: 1.9519935071310819
Energy: 1.9480158594853294
Energy: 1.759376084160216
Energy: 1.7237597108427642
Energy: 1.759376084160216
Energy: 1.8079937791161536
Energy: 1.8080781118653764
Energy: 1.7221721652220856
Energy: 1.8080781118665163
Energy: 1.8072079363363527
Energy: 1.965813694413189
Energy: 1.7214824436054659
Energy: 1.965813694414329
Energy: 1.7321770312099165
Energy: 1.761086423138408
Energy: 1.7222817900377265
Energy: 1.761086423138408
Energy: 1.716608474758471
Energy: 1.8521542811025182
Energy: 2.1123678366574508
Energy: 1.8521542811025182
Energy: 1.9678500974364492
Energy: 2.036713943190563
Energy: 1.7441742652947114
Energy: 2.0367139431917036
Energy: 1.749966355772831
Energy: 1.8716777679132017
Energy: 1.824660466380314
Energy: 1.8716777679132017

minimum gb energy = 1.7061474102628904 eV
minimum distance =  2.26045321025233 Angstroms
sigma value = 7


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

Energy: 1.7969066074760793
Energy: 1.7927609128518647
Energy: 2.2283341174116824
Energy: 1.7927609128575075
Energy: 2.0773226199111963
Energy: 1.8428758639735927
Energy: 1.7522433049078754
Energy: 1.8428758639711742
Energy: 1.7381684287834374
Energy: 1.7882462071022984
Energy: 1.7362300404553068
Energy: 1.7882462071055227
Energy: 1.7373246364914525
Energy: 1.8591732832705634
Energy: 1.7521761602101502
Energy: 1.8591732832705634
Energy: 1.7387341090025026
Energy: 1.852356201493198
Energy: 1.747840203778113
Energy: 1.85235620149078
Energy: 1.736978518203826
Energy: 1.7528929962553865
Energy: 1.9764217167840343
Energy: 1.7528929962497437
Energy: 1.9184295669787008
Energy: 1.9255634769092247
Energy: 1.7432134508843504
Energy: 1.9255634769051941
Energy: 1.7366018663880936
Energy: 1.7836232909045742
Energy: 2.005755517037065
Energy: 1.78362329090135
Energy: 1.9549816401874185
Energy: 1.8390247691621049
Energy: 1.7537022364983303
Energy: 1.839024769162911
Energy: 1.7368379622007295
Energy: 1.8662420805013684
Energy: 1.8898402055874064
Energy: 1.8662420804973379
Energy: 1.7434328519812827
Energy: 1.9822552263279258
Energy: 1.74303739637576
Energy: 1.9822552263255075
Energy: 1.7588611471728242
Energy: 1.8529132920460754
Energy: 1.7398111707745547
Energy: 1.8529132920484939
Energy: 1.7512188300531102
Energy: 1.7586436434855144
Energy: 1.7435328304575468
Energy: 1.7586436434855144
Energy: 1.7504335853644923
Energy: 1.7810319525377283
Energy: 1.739094084018825
Energy: 1.781031952541759
Energy: 1.7347173554770323
Energy: 1.9627703675897124
Energy: 1.9109968765278857
Energy: 1.9627703675905184
Energy: 2.166384438919889
Energy: 1.7806856550436727
Energy: 1.7539490179221522
Energy: 1.7806856550420604
Energy: 1.7348060329079888
Energy: 1.8497939329990851
Energy: 1.789759141378634
Energy: 1.849793932997473
Energy: 1.7448023412910654
Energy: 1.7930762161784626
Energy: 1.7395468297654797
Energy: 1.7930762161808806
Energy: 1.735358511032622
Energy: 1.9831698274228307
Energy: 1.7431995701967664
Energy: 1.9831698274228307
Energy: 1.736755618061412
Energy: 1.8504726749783946
Energy: 1.7400389000792005
Energy: 1.8504726749783946
Energy: 1.7427581184430747
Energy: 1.9846805814501967
Energy: 1.7537642364054644
Energy: 1.9846805814485846
Energy: 1.7366433315374024
Energy: 1.7857031125909524
Energy: 1.897487685824383
Energy: 1.785703112598207
Energy: 2.0245310857671233
Energy: 1.8388327586551374
Energy: 1.7426502129147579
Energy: 1.8388327586567494
Energy: 1.7938605777711818
Energy: 1.7526410842953408
Energy: 1.9764638797522605
Energy: 1.7526410842961466
Energy: 1.7658652913343924
Energy: 1.8510229509734406
Energy: 1.7432950032512553
Energy: 1.8510229509758587
Energy: 1.73771588418469
Energy: 1.978860165102744
Energy: 1.7360467244180846
Energy: 1.9788601651051623
Energy: 1.7384607307652022
Energy: 1.8689399423877866
Energy: 1.878218579893066
Energy: 1.8689399423861748
Energy: 1.7376465173983184
Energy: 1.8494854529429352
Energy: 1.7521770061187747
Energy: 1.8494854529477716
Energy: 1.7376209438507009
Energy: 1.7928300773100894
Energy: 1.883289329099992
Energy: 1.7928300773100894
Energy: 1.8037866213553368
Energy: 1.7739913989293068
Energy: 1.752529076867299
Energy: 1.773991398933301
Energy: 1.737657720704761
Energy: 1.7928507080293303
Energy: 2.022186966733572
Energy: 1.7928507080301364

minimum gb energy = 1.7347173554770323 eV
minimum distance =  2.24811309280901 Angstroms
sigma value = 29


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

Energy: 1.7259555237052864
Energy: 1.696773364494913
Energy: 2.1622780753299553
Energy: 1.6967733644943828
Energy: 1.6846701848935766
Energy: 1.7242034534808384
Energy: 1.7255142536208592
Energy: 1.724203453482211
Energy: 1.6738640444521256
Energy: 1.8295192689021382
Energy: 1.6816954502909027
Energy: 1.8295192689027
Energy: 1.7253948321422543
Energy: 1.680295020601086
Energy: 1.7254603896246106
Energy: 1.680295020604393
Energy: 1.7263576052174883
Energy: 1.7903509256517791
Energy: 1.6930556204007785
Energy: 1.7903509256525905
Energy: 1.6809891668579446
Energy: 1.827768511444049
Energy: 1.681156889429193
Energy: 1.8277685114476057
Energy: 1.6739095242175661
Energy: 1.7903390721392771
Energy: 1.7263533689477966
Energy: 1.7903390721379044
Energy: 1.7255941438427425
Energy: 1.6800600478851322
Energy: 1.7253487866326036
Energy: 1.6800600478815757
Energy: 1.6818407663896324
Energy: 1.829243023883967
Energy: 1.683833782607906
Energy: 1.8292430238842479

minimum gb energy = 1.6738640444521256 eV
minimum distance =  2.27766349374936 Angstroms
sigma value = 5


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

Energy: 1.6478570591253605
Energy: 1.6408959827196805
Energy: 2.1808987340513437
Energy: 1.6408959827227263
Energy: 1.8811777606534055
Energy: 1.7154239750097056
Energy: 1.5625075297678395
Energy: 1.7154239750112288
Energy: 1.5682629908913417
Energy: 1.6307701053719894
Energy: 1.90217351849491
Energy: 1.6307701053681822
Energy: 1.5751552276204663
Energy: 1.700276852140075
Energy: 1.6123518867248503
Energy: 1.7002768521431209
Energy: 1.5857342743264375
Energy: 1.7111781010628633
Energy: 2.03166398221003
Energy: 1.7111781010666705
Energy: 1.6099750667857018
Energy: 1.6523150240327498
Energy: 1.5870014883659211
Energy: 1.6523150240319882
Energy: 1.588001726888474
Energy: 1.7212643671330488
Energy: 1.5885289352466563
Energy: 1.7212643671315258
Energy: 1.587651723958984
Energy: 1.6556597347483133
Energy: 1.5630906619850493
Energy: 1.6556597347498363
Energy: 1.6153315653414984
Energy: 1.7001688491550815
Energy: 1.5547686038447799
Energy: 1.7001688491588889
Energy: 1.6137204050755027
Energy: 1.7052164869600714
Energy: 1.5733640554908248
Energy: 1.7052164869570259
Energy: 1.5814065168030151
Energy: 1.701529115800028
Energy: 1.5686980794246834
Energy: 1.7015291157977435
Energy: 1.5615910820258647
Energy: 1.8930264437968998
Energy: 1.7926937650323747
Energy: 1.8930264437961386
Energy: 1.6248004192275696
Energy: 1.6504139807968825
Energy: 1.6469680267417535
Energy: 1.6504139807984055
Energy: 1.5851843013405384
Energy: 1.6501768420381915
Energy: 1.6207835357184917
Energy: 1.6501768420359069
Energy: 1.8564842316864567
Energy: 1.5812884820549469
Energy: 1.5683229786497364
Energy: 1.5812884820579929
Energy: 1.6116094855530119
Energy: 1.618916277733586
Energy: 1.8947176202891156
Energy: 1.6189162777297785
Energy: 1.9070714631846044
Energy: 1.5929733674378193
Energy: 1.5737823669863495
Energy: 1.592973367430966
Energy: 1.594767016409194
Energy: 1.650213105229981
Energy: 1.6698419182777813
Energy: 1.6502131052322657
Energy: 1.5913848433198394
Energy: 1.7233075370766577
Energy: 1.5868769330663623
Energy: 1.723307537075135
Energy: 1.561734913238142
Energy: 1.7254407321323864
Energy: 1.641705542613081
Energy: 1.7254407321331477
Energy: 1.5534232505406276
Energy: 1.6938715840478056
Energy: 1.6130547472014596
Energy: 1.6938715840478056
Energy: 1.5862939511896557
Energy: 1.7041698879942542
Energy: 1.6157366026677367
Energy: 1.7041698879942542
Energy: 1.5698541121823253
Energy: 1.6523267281667622
Energy: 1.5559386186656774
Energy: 1.6523267281637164
Energy: 1.7997922897616911
Energy: 1.6507525178523623
Energy: 1.5617749078919627
Energy: 1.650752517848555
Energy: 1.8016386280637882
Energy: 1.6231881954485112
Energy: 1.5646440124457104
Energy: 1.6231881954469882
Energy: 1.625767309853573
Energy: 1.6505343396936212
Energy: 1.5856795236485965
Energy: 1.6505343396974284
Energy: 1.5692508088330788
Energy: 1.6866357451372054
Energy: 1.7473438818385822
Energy: 1.6866357451349212
Energy: 1.6083341145874617
Energy: 1.70281421229789
Energy: 1.6118652656063874
Energy: 1.702814212299413
Energy: 1.5619600443274195
Energy: 1.5892997442540955
Energy: 1.773278718813886
Energy: 1.5892997442556185
Energy: 1.950280276896871
Energy: 1.6497831089551145
Energy: 1.594554898867914
Energy: 1.6497831089535915
Energy: 1.5865235381533795
Energy: 1.6287697527756337
Energy: 1.7424815237587623
Energy: 1.6287697527756337
Energy: 1.906070407805311
Energy: 1.6486018979671786
Energy: 1.5615902251144262
Energy: 1.6486018979671786
Energy: 1.6120272994433793
Energy: 1.701829549197533
Energy: 1.5548305014278694
Energy: 1.7018295491952486

minimum gb energy = 1.5534232505406276 eV
minimum distance =  2.26593819349334 Angstroms
sigma value = 1


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

Energy: 1.5795689616779818
Energy: 1.5754826014896435
Energy: 2.1278860089867773
Energy: 1.5754826014896435
Energy: 1.5617020202689647
Energy: 1.587940516766397
Energy: 1.4978709088891529
Energy: 1.587940516766397
Energy: 1.4625047333510919
Energy: 1.5747977544296812
Energy: 1.8137336578463912
Energy: 1.5747977544328395
Energy: 1.5237592737515995
Energy: 1.6532270282647326
Energy: 1.500611166376723
Energy: 1.6532270282647326
Energy: 1.4633005364256084
Energy: 1.708372963576072
Energy: 1.928330670015977
Energy: 1.708372963575019
Energy: 1.4641112092361872
Energy: 1.5813513714164342
Energy: 1.5012946041756852
Energy: 1.5813513714132759
Energy: 1.4634531467943004
Energy: 1.708708646759433
Energy: 1.5490209201102179
Energy: 1.7087086467615387
Energy: 1.4644222485437925
Energy: 1.5835445318070291
Energy: 1.5496599588876316
Energy: 1.5835445318059762
Energy: 1.5804142242031727
Energy: 1.567589164730363
Energy: 1.5376248641413857
Energy: 1.5675891647314157
Energy: 1.5802560009414066
Energy: 1.5676477354005747
Energy: 1.5499180631483347
Energy: 1.5676477353984692
Energy: 1.4643374188418106
Energy: 1.583528060037073
Energy: 1.5196731071833343
Energy: 1.5835280600381256
Energy: 1.463289458684327
Energy: 1.708648564567909
Energy: 1.5490247265488168
Energy: 1.7086485645700147
Energy: 1.4639257741112204
Energy: 1.581306456559835
Energy: 1.5012863555138243
Energy: 1.5813064565577295
Energy: 1.4631194371035978
Energy: 1.7083158273227956
Energy: 1.9383799066253964
Energy: 1.7083158273259542
Energy: 1.5239052331797163
Energy: 1.6532525580346218
Energy: 1.5010045971187305
Energy: 1.6532525580356745
Energy: 1.4625045334641202
Energy: 1.5748944096344784
Energy: 1.5600261504389845
Energy: 1.5748944096344784
Energy: 1.5616159890868044
Energy: 1.5879406515134633
Energy: 1.501029969868036
Energy: 1.5879406515134633
Energy: 1.5795689616758761
Energy: 1.5754826014906962
Energy: 1.528047994161944
Energy: 1.5754826014896435
Energy: 1.5617020202710703
Energy: 1.587940516766397
Energy: 1.4978709088891529
Energy: 1.587940516765344
Energy: 1.4625047333510919
Energy: 1.574797754430734
Energy: 2.1628314638468535
Energy: 1.5747977544328395
Energy: 1.523759273752652
Energy: 1.6532270282636796
Energy: 1.500611166376723
Energy: 1.6532270282647326
Energy: 1.4633005364266614
Energy: 1.708372963575019
Energy: 1.912914974726541
Energy: 1.708372963575019
Energy: 1.4641112092351345
Energy: 1.5813513714153813
Energy: 1.5012946041756852
Energy: 1.5813513714132759
Energy: 1.4634531467943004
Energy: 1.708708646759433
Energy: 1.520420969436249
Energy: 1.7087086467615387

minimum gb energy = 1.4625045334641202 eV
minimum distance =  2.26956665568489 Angstroms
sigma value = 17


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

Energy: 1.5359459692496635
Energy: 1.5320314942232949
Energy: 2.117786048477633
Energy: 1.5320314942239455
Energy: 1.7637555689028217
Energy: 1.5082325950983146
Energy: 1.4612012734638555
Energy: 1.5082325950885533
Energy: 1.462624437940493
Energy: 1.5114954829570235
Energy: 1.9494785218810173
Energy: 1.5114954829563727
Energy: 1.504864802612933
Energy: 1.458830350796367
Energy: 1.460827527427108
Energy: 1.458830350796367
Energy: 1.445607498563165
Energy: 1.6189782706079199
Energy: 1.751031721279214
Energy: 1.6189782706066185
Energy: 1.4373635018232138
Energy: 1.7926942741981506
Energy: 1.4849267486731774
Energy: 1.7926942742020548
Energy: 1.4627832998800605
Energy: 1.5942853832928507
Energy: 1.5187379892844384
Energy: 1.5942853832941521
Energy: 1.444963353223438
Energy: 1.8107831168349744
Energy: 1.4446729820071096
Energy: 1.8107831168323711
Energy: 1.5263375760590927
Energy: 1.497196929443385
Energy: 1.4920661524096968
Energy: 1.4971969294446863
Energy: 1.529143601186198
Energy: 1.5655625751320714
Energy: 1.4619784928397994
Energy: 1.5655625751353253
Energy: 1.46316657748098
Energy: 1.5323982865203825
Energy: 1.444963331191327
Energy: 1.5323982865216839
Energy: 1.4631724153384553
Energy: 1.5783621191441781
Energy: 1.4459389005975216
Energy: 1.5783621191454795
Energy: 1.4369432937281614
Energy: 1.7934873191097185
Energy: 1.4611010341094586
Energy: 1.7934873191103693
Energy: 1.4459470562236736
Energy: 1.6181125973151944
Energy: 1.5398142821037726
Energy: 1.618112597315845
Energy: 1.4456158127973004
Energy: 1.7816687754592366
Energy: 1.5423405101986816
Energy: 1.7816687754598874
Energy: 1.4625438421490766
Energy: 1.5125149640403808
Energy: 1.7440381234722309
Energy: 1.5125149640410318
Energy: 1.4815437538026375
Energy: 1.7819319752578042
Energy: 1.460659155489786
Energy: 1.7819319752584548
Energy: 1.459926282364002
Energy: 1.5325725276805022
Energy: 1.470427932755602
Energy: 1.5325725276792008
Energy: 1.7479378331074285
Energy: 1.582962320075451
Energy: 1.46195037916142
Energy: 1.582962320075451
Energy: 1.4834730832558733
Energy: 1.51212138812924
Energy: 1.5016659280457754
Energy: 1.5121213881272875
Energy: 1.7456862578305572
Energy: 1.4957196086599265
Energy: 1.4604661536046084
Energy: 1.495719608661228
Energy: 1.4601312949427014
Energy: 1.5745962023321094
Energy: 1.463800611597167
Energy: 1.5745962023295064
Energy: 1.4776188903929557
Energy: 1.4797068544704965
Energy: 1.484037460085873
Energy: 1.479706854469846
Energy: 1.462464518802965
Energy: 1.5955793475837248
Energy: 1.7636759846970924
Energy: 1.5955793475837248
Energy: 1.4926014903539955
Energy: 1.5330142117872465
Energy: 1.4602451950742437
Energy: 1.533014211787897
Energy: 1.4603848467431122
Energy: 1.6205666429399666
Energy: 1.4817069292957366
Energy: 1.620566642943871
Energy: 1.7272572745487516
Energy: 1.5528132981166978
Energy: 1.4623190120950094
Energy: 1.5528132981186502
Energy: 1.545974161667592
Energy: 1.7824978076545934
Energy: 1.445243079947002
Energy: 1.7824978076513398
Energy: 1.5537224647429313
Energy: 1.6180240549799765
Energy: 1.445545197856821
Energy: 1.6180240549793257
Energy: 1.4607925358085287
Energy: 1.5550650214942872
Energy: 1.4990704144597051
Energy: 1.5550650214975412
Energy: 1.4459734849308286
Energy: 1.6177855289769074
Energy: 1.4632949000934863
Energy: 1.6177855289762566
Energy: 1.4449193396758555
Energy: 1.7748881864682335
Energy: 1.4623124577133642
Energy: 1.7748881864695352
Energy: 1.4624299787491561
Energy: 1.5659195670535608
Energy: 1.771301769910757
Energy: 1.5659195670542114
Energy: 1.5003378703898071
Energy: 1.4966680687916818
Energy: 1.4860758255240085
Energy: 1.4966680687884284
Energy: 1.4448763894137895
Energy: 1.5338186296000986
Energy: 1.4891518253877651
Energy: 1.533818629598797
Energy: 1.516845498514532
Energy: 1.5960012375805788
Energy: 1.46252773940872
Energy: 1.5960012375786266
Energy: 1.4840505672840743
Energy: 1.7929646948371856
Energy: 1.4376258963318573
Energy: 1.7929646948384872
Energy: 1.7454669005023418
Energy: 1.620614065509254
Energy: 1.4604257683756914
Energy: 1.6206140655112062

minimum gb energy = 1.4369432937281614 eV
minimum distance =  2.25844649068825 Angstroms
sigma value = 89


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

Energy: 1.3616808447521678
Energy: 1.3589875742531854
Energy: 2.0048299391891873
Energy: 1.3589875742548883
Energy: 1.3585353091848127
Energy: 1.4081750272972635
Energy: 1.362776389342008
Energy: 1.4081750272989664
Energy: 1.3667227791634236
Energy: 1.5943260143958757
Energy: 2.0943595777654624
Energy: 1.5943260143958757
Energy: 1.3394590905693773
Energy: 1.4080917643830801
Energy: 1.3622856041298876
Energy: 1.4080917643830801
Energy: 1.361141486572148
Energy: 1.483759516500459
Energy: 1.359408685482688
Energy: 1.483759516500459
Energy: 1.3587201622972669
Energy: 1.3607464683083486
Energy: 1.365442411608908
Energy: 1.3607464683083486
Energy: 1.3666054176336964
Energy: 1.5936745098193934
Energy: 1.361841186006976
Energy: 1.5936745098176905
Energy: 1.3284232383074346
Energy: 1.5946437944104173
Energy: 1.3629774780923847
Energy: 1.5946437944087146
Energy: 1.3613461686797255
Energy: 1.4838284247920437
Energy: 1.3322708682022217
Energy: 1.4838284247920437
Energy: 1.4089014154984734
Energy: 1.4770290832333992
Energy: 1.362181866607308
Energy: 1.4770290832436153
Energy: 1.3586582859427614
Energy: 1.409979412540367
Energy: 1.3616988218381367
Energy: 1.409979412540367
Energy: 1.363793858528832
Energy: 1.5926338433228884
Energy: 1.3594307664503058
Energy: 1.5926338433228884
Energy: 1.361579385807376
Energy: 1.3650777375869205
Energy: 1.3370136099637122
Energy: 1.3650777375869205
Energy: 1.3586573226855652
Energy: 1.4811766343510864
Energy: 1.358286418722056
Energy: 1.4811766343493837
Energy: 1.326655773565394
Energy: 1.365150886001146
Energy: 1.3614841065056307
Energy: 1.365150886001146

minimum gb energy = 1.326655773565394 eV
minimum distance =  2.2863684166701 Angstroms
sigma value = 13


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

Energy: 1.3040193151678339
Energy: 1.2508422876915468
Energy: 1.942905763219996
Energy: 1.2508422876936878
Energy: 1.5740227373122944
Energy: 1.2833371641464522
Energy: 1.2260551176916095
Energy: 1.283337164142884
Energy: 1.2526434612598882
Energy: 1.2508953360320059
Energy: 1.509083875640531
Energy: 1.2508953360341468
Energy: 1.2513441318546576
Energy: 1.2832264375927576
Energy: 1.2255818194464225
Energy: 1.2832264375948983
Energy: 1.2529258094160403
Energy: 1.3440298931074852
Energy: 1.253894424569018
Energy: 1.344029893106058
Energy: 1.2288392607841314
Energy: 1.28404555632805
Energy: 1.271444220807236
Energy: 1.284045556330191
Energy: 1.252898194634462
Energy: 1.344957879522195
Energy: 1.5507311136668143
Energy: 1.3449578795207677
Energy: 1.213546035580862
Energy: 1.283310855894714
Energy: 1.2712226689321287
Energy: 1.2833108558968551
Energy: 1.253115551122367
Energy: 1.3449623590380946
Energy: 1.6866631065659248
Energy: 1.3449623590380946
Energy: 1.589739694955252
Energy: 1.374499675490812
Energy: 1.225816481984585
Energy: 1.3744996754858165
Energy: 1.2530848757514255
Energy: 1.3717913198079303
Energy: 1.2319265680544902
Energy: 1.3717913198022211
Energy: 1.2805694658843743
Energy: 1.3745739787727118
Energy: 1.2264578117288527
Energy: 1.3745739787748528
Energy: 1.312891029172625
Energy: 1.2752619655856696
Energy: 1.2318948519435806
Energy: 1.275261965584956
Energy: 1.8416979675503555
Energy: 1.3741437688757243
Energy: 1.2266829815402693
Energy: 1.3741437688742972
Energy: 1.2531471909480116
Energy: 1.2508257866912353
Energy: 1.229377844818695
Energy: 1.25082578668624
Energy: 1.2460164149623818
Energy: 1.374140469558645
Energy: 1.2270178940414713
Energy: 1.374140469562927
Energy: 1.2449177222539158
Energy: 1.2502218262886748
Energy: 1.2279281278828813
Energy: 1.250221826292243
Energy: 1.2458838116411504
Energy: 1.3444828747021047
Energy: 1.2726662113365577
Energy: 1.3444828747042457
Energy: 1.2455383159006463
Energy: 1.2781620739115322
Energy: 1.2838772288918527
Energy: 1.2781620739200958
Energy: 1.2454419909285042
Energy: 1.2780839120845158
Energy: 1.2730882592144719
Energy: 1.2780839120816614
Energy: 1.2459617328108634
Energy: 1.3444765087687052
Energy: 1.2732353048265885
Energy: 1.3444765087715596
Energy: 1.2449063445063855
Energy: 1.250071714557427
Energy: 1.227967762722929
Energy: 1.2500717145595677
Energy: 1.2459982666774794
Energy: 1.3740831911735867
Energy: 1.227158432180098
Energy: 1.3740831911735867
Energy: 1.2531449143452065
Energy: 1.250807734240096
Energy: 1.231862462670828
Energy: 1.2508077342351007
Energy: 1.841616490364747
Energy: 1.3741402777369698
Energy: 1.2265381416546277
Energy: 1.374140277736256
Energy: 1.312821419318861
Energy: 1.275251108909157
Energy: 1.2318696172716646
Energy: 1.2752511089063021
Energy: 1.280382037348568
Energy: 1.374785195403238
Energy: 1.2262872890470111
Energy: 1.3747851954082335
Energy: 1.2530528056702517
Energy: 1.3718042550760003
Energy: 1.2320990336514275
Energy: 1.371804255078855
Energy: 1.5891410989336558
Energy: 1.3744576930289956
Energy: 1.2257906668924299
Energy: 1.3744576930254273
Energy: 1.2531439789995442
Energy: 1.344826565600744
Energy: 1.8226463937359483
Energy: 1.3448265655950349
Energy: 1.213524973439741
Energy: 1.283415027619406
Energy: 1.2714267362105052
Energy: 1.2834150276215472
Energy: 1.2531617460351083
Energy: 1.3447902023511775
Energy: 1.5507459291563563
Energy: 1.3447902023554592
Energy: 1.2289073008286824
Energy: 1.2840766278941262
Energy: 1.2712785504590551
Energy: 1.2840766278919853
Energy: 1.2529843383333867
Energy: 1.3439545663380363
Energy: 1.2518137405304413
Energy: 1.3439545663358952
Energy: 1.2512400101297876
Energy: 1.2832471204790044
Energy: 1.2255959234443012
Energy: 1.2832471204825726

minimum gb energy = 1.213524973439741 eV
minimum distance =  2.29905248072877 Angstroms
sigma value = 37


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

Energy: 1.5168420386512074
Energy: 1.2242872807222895
Energy: 1.8313564063311765
Energy: 1.2242872807235172
Energy: 1.43483333538401
Energy: 1.1912282340037157
Energy: 1.118922589819833
Energy: 1.1912282340049436
Energy: 1.444634196038886
Energy: 1.337681832057334
Energy: 1.1136415338901942
Energy: 1.337681832057334
Energy: 1.3893146626769683
Energy: 1.1919259803397224
Energy: 1.1378341641614023
Energy: 1.1919259803397224
Energy: 1.1407713187506852
Energy: 1.1908595500357737
Energy: 1.3932882532215698
Energy: 1.1908595500370016
Energy: 1.1175456658043008
Energy: 1.1913722412267138
Energy: 1.3972154592462123
Energy: 1.1913722412267138
Energy: 1.1175398697439323
Energy: 1.2527398774425171
Energy: 1.4343140033336192
Energy: 1.2527398774425171
Energy: 1.116504044402296
Energy: 1.1925515025577678
Energy: 1.1967812160883406
Energy: 1.19255150255654
Energy: 1.1265421890530747
Energy: 1.1907491675956865
Energy: 1.414156001610199
Energy: 1.1907491675956865
Energy: 1.7368413923614692
Energy: 1.3244884359070728
Energy: 1.3969767536062854
Energy: 1.3244884359070728
Energy: 1.1377661322470878
Energy: 1.2813413775423679
Energy: 1.388773530216164
Energy: 1.28134137754114
Energy: 1.7799439797827652
Energy: 1.1918997502613282
Energy: 1.1380577919140702
Energy: 1.1918997502625561
Energy: 1.3965152648693135
Energy: 1.1906675418950061
Energy: 1.1231583152419715
Energy: 1.190667541896206
Energy: 1.426355713204195
Energy: 1.2454536871899446
Energy: 1.1194045372320454
Energy: 1.245453687188717
Energy: 1.4729483912779533
Energy: 1.2467205478874
Energy: 1.1157758004899692
Energy: 1.2467205478874
Energy: 1.4655707408939933
Energy: 1.1916735967018712
Energy: 1.1199479356229811
Energy: 1.1916735967018712
Energy: 1.3967651030039487
Energy: 1.3234476594075095
Energy: 1.1004561542410074
Energy: 1.3234476594075095
Energy: 1.391762846357892
Energy: 1.2835705049630244
Energy: 1.137709086181128
Energy: 1.2835705049630244
Energy: 1.1388827660313656
Energy: 1.1948211071394255
Energy: 1.136779058645548
Energy: 1.1948211071394255
Energy: 1.139910988808369
Energy: 1.1917454414930997
Energy: 1.3933225123988018
Energy: 1.1917454414930997

minimum gb energy = 1.1004561542410074 eV
minimum distance =  2.30474543166947 Angstroms
sigma value = 25


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

Energy: 1.3084274379655942
Energy: 1.0138598862292236
Energy: 1.7205726990783308
Energy: 1.0138598862311412
Energy: 1.6030116880419842
Energy: 1.024331945942232
Energy: 1.0015790525819155
Energy: 1.0243319459393558
Energy: 1.2473419961887247
Energy: 1.0132701218279243
Energy: 0.960540113088915
Energy: 1.0132701218298419
Energy: 1.2013640759421969
Energy: 1.0442300588048499
Energy: 1.0005882292099726
Energy: 1.0442300588077262
Energy: 1.0165298511888625
Energy: 1.025521750288006
Energy: 1.174336160844663
Energy: 1.025521750288006
Energy: 1.1763677965207455
Energy: 1.0125981400888286
Energy: 1.0189224111937523
Energy: 1.012598140086911
Energy: 0.9966299843977144
Energy: 0.9946205503324426
Energy: 1.199216093302626
Energy: 0.9946205503295663
Energy: 0.9562711729716866
Energy: 1.0582248732629103
Energy: 1.219025704532194
Energy: 1.0582248732667454
Energy: 1.0008284819897422
Energy: 1.0282658251837706
Energy: 1.815749374703167
Energy: 1.028265825182812
Energy: 0.9568188123314824
Energy: 0.9953333841090882
Energy: 1.060714984638779
Energy: 0.9953333841081294
Energy: 0.9966761799831442
Energy: 0.9948805745577239
Energy: 1.8096682277580682
Energy: 0.9948805745567652
Energy: 1.4695032882546226
Energy: 1.0570646283437821
Energy: 1.2187837814310578
Energy: 1.0570646283437821
Energy: 1.0025670686769628
Energy: 1.043877436953352
Energy: 1.798194833473622
Energy: 1.0438774369543107
Energy: 1.4985648629210728
Energy: 0.994631552247477
Energy: 1.0188338311386538
Energy: 0.9946315522484357
Energy: 1.0135946058879015
Energy: 0.9953551591852238
Energy: 1.1747952870819136
Energy: 0.9953551591881
Energy: 1.1979996539877928
Energy: 1.1631368690181814
Energy: 0.9966893898748401
Energy: 1.1631368690181814
Energy: 1.2180928749287487
Energy: 1.0576424891833318
Energy: 0.9608854120705294
Energy: 1.057642489182373
Energy: 1.649704351596757
Energy: 1.0249975989485562
Energy: 1.0015674119061921
Energy: 1.0249975989485562
Energy: 1.2809714198608402
Energy: 1.0118062748640375
Energy: 0.9578172205819806
Energy: 1.0118062748630787
Energy: 2.001504121544584
Energy: 1.167551556397543
Energy: 0.9970255641737301
Energy: 1.1675515563994605
Energy: 1.2183424872587203
Energy: 1.0568912962323562
Energy: 0.9472793911589595
Energy: 1.056891296233315
Energy: 1.2138086118121603
Energy: 1.043590953458424
Energy: 1.004880125676756
Energy: 1.043590953458424
Energy: 1.0138409599508613
Energy: 0.99445566858345
Energy: 1.5026868048121855
Energy: 0.9944556685844087
Energy: 1.1802146891747318
Energy: 1.1675255326887475
Energy: 1.0156055321351223
Energy: 1.1675255326925826
Energy: 1.0004924216628728
Energy: 1.1632531868735314
Energy: 1.693096628610955
Energy: 1.1632531868725726
Energy: 0.9691045322124738
Energy: 1.057655688272659
Energy: 1.2194247880520959
Energy: 1.0576556882707415

minimum gb energy = 0.9472793911589595 eV
minimum distance =  2.30728398750341 Angstroms
sigma value = 41


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

Energy: 1.593920084270822
Energy: 0.9036547688398632
Energy: 1.6260634142612733
Energy: 0.9036547688406493
Energy: 1.5801873915401032
Energy: 0.8830325163018327
Energy: 0.8691104869945603
Energy: 0.8830325163002605
Energy: 0.9036343310350077
Energy: 0.8664031443068804
Energy: 0.8384364814028259
Energy: 0.8664031443076665
Energy: 1.219185264858029
Energy: 0.8845506083670797
Energy: 0.8692287861235735
Energy: 0.8845506083670797
Energy: 0.8656007524383645
Energy: 0.927146841345612
Energy: 0.846010066984281
Energy: 0.9271468413471841
Energy: 0.8571726271171775
Energy: 0.8844582616235673
Energy: 0.8690515377140304
Energy: 0.8844582616227814
Energy: 0.8685689443010575
Energy: 0.8833972592294362
Energy: 0.8579038944692483
Energy: 0.8833972592294362
Energy: 0.8469449765839957
Energy: 0.9035189158920814
Energy: 0.8663322135976529
Energy: 0.9035189158912955
Energy: 0.8700100100664072
Energy: 0.9036235276502433
Energy: 1.3955297887096623
Energy: 0.9036235276494573
Energy: 0.842045101588681
Energy: 0.8669814917309768
Energy: 0.9042703956464521
Energy: 0.8669814917317629
Energy: 0.8684474308655279
Energy: 0.8832926161760913
Energy: 1.8884737980816755
Energy: 0.8832926161776634
Energy: 0.8469347412573455
Energy: 0.9041965342087641
Energy: 1.5925254103323736
Energy: 0.9041965342103362
Energy: 0.8706167616013682
Energy: 0.9039121304187601
Energy: 1.7349448904251876
Energy: 0.903912130420332
Energy: 1.2762141510145126
Energy: 0.9947690473327198
Energy: 0.9044426057929479
Energy: 0.9947690473327198
Energy: 0.868624419199772
Energy: 0.8834098793699695
Energy: 1.5631258145358424
Energy: 0.8834098793723275
Energy: 1.2885039869754082
Energy: 0.9049320619817562
Energy: 0.8661849672425632
Energy: 0.9049320619864367
Energy: 0.8705588977922456
Energy: 0.9030944143722841
Energy: 1.3832284203281793
Energy: 0.9030944143754281
Energy: 0.8588510941731088
Energy: 0.995039494540755
Energy: 0.8690936465938209
Energy: 0.995039494540755
Energy: 0.8684270183579657
Energy: 0.9033996153278576
Energy: 0.8452740155058815
Energy: 0.9033996153270716
Energy: 1.307881249093642
Energy: 0.9035964557617049
Energy: 0.8663800966454792
Energy: 0.9035964557640629
Energy: 0.9064973293069009
Energy: 0.9025006237627763
Energy: 0.8386415149253238
Energy: 0.9025006237667064
Energy: 1.8868815382097113
Energy: 0.926222712325111
Energy: 0.8692278395443973
Energy: 0.9262227123235389
Energy: 1.5880226808346831
Energy: 0.902454452056255
Energy: 0.8450668583097954
Energy: 0.902454452056255
Energy: 1.5933864700694764
Energy: 0.9020811727382567
Energy: 0.8668155175970983
Energy: 0.9020811727358985
Energy: 0.906666779731784
Energy: 0.9923013809831993
Energy: 0.8398507530813916
Energy: 0.9923013809863434
Energy: 1.5628661127326853
Energy: 0.9281839217588129
Energy: 0.8693726270644692
Energy: 0.9281839217572408
Energy: 0.8684878710915214
Energy: 0.9031784287629453
Energy: 1.2879334166102416
Energy: 0.9031784287621593
Energy: 0.8730178580966694
Energy: 0.9026608748857157
Energy: 0.8672948461686707
Energy: 0.9026608748865017
Energy: 0.8707570411277369
Energy: 0.9923667907014417
Energy: 1.2891332178214332
Energy: 0.9923667906998695
Energy: 0.8463661704580339
Energy: 0.9515880595386563
Energy: 0.872021317171296
Energy: 0.9515880595370843
Energy: 0.8681776393415905
Energy: 0.9025603204348711
Energy: 1.3065748004800237
Energy: 0.902560320431727
Energy: 0.8465822913491564
Energy: 0.9022129746948089
Energy: 0.9096759993830339
Energy: 0.902212974695595

minimum gb energy = 0.8384364814028259 eV
minimum distance =  2.30098194533032 Angstroms
sigma value = 15


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

Energy: 1.4234986545982016
Energy: 0.8009442985044753
Energy: 1.5670468945651523
Energy: 0.8009442984984825
Energy: 1.6716416732414394
Energy: 0.7972674404275824
Energy: 0.7990801845222024
Energy: 0.7972674404282483
Energy: 0.82880359629258
Energy: 0.7967539201526611
Energy: 0.7609089645723351
Energy: 0.7967539201546588
Energy: 1.3921610606838863
Energy: 0.797257538043662
Energy: 0.7990258972912367
Energy: 0.7972575380469914
Energy: 0.7964287775805856
Energy: 0.7992279943413122
Energy: 0.7608435208821273
Energy: 0.7992279943413122
Energy: 1.0826017448585747
Energy: 0.798794331352441
Energy: 0.7989982173679259
Energy: 0.7987943313537728
Energy: 0.7984584429867101
Energy: 0.8121380281970391
Energy: 0.7723828021120654
Energy: 0.8121380281990368
Energy: 0.7717888087537783
Energy: 0.8128419063454567
Energy: 0.7989369279416996
Energy: 0.8128419063467885
Energy: 0.8004576279501692
Energy: 0.8138153012096705
Energy: 1.3774236645757758
Energy: 0.8138153012116681
Energy: 0.7658095105060543
Energy: 0.7985492932222267
Energy: 0.7969252360071375
Energy: 0.7985492932202289
Energy: 0.7985752825095702
Energy: 0.7974073358027391
Energy: 1.3926464540013528
Energy: 0.7974073358007414
Energy: 0.7631797473873404
Energy: 0.7969544658713577
Energy: 0.82930496566508
Energy: 0.7969544658713577
Energy: 0.8004407208410843
Energy: 0.8137863807083386
Energy: 1.9358968585889993
Energy: 0.8137863807056751
Energy: 0.7660297806796877
Energy: 0.7980394969024881
Energy: 1.4209164652670487
Energy: 0.7980394969031539
Energy: 0.7986551521940446
Energy: 0.7973049056525557
Energy: 1.9414850074125407
Energy: 0.7973049056518899
Energy: 1.1376512700849826
Energy: 0.7971149429246571
Energy: 0.8295624612538772
Energy: 0.7971149429259887
Energy: 0.8003479413571564
Energy: 0.8130233691805225
Energy: 1.9303515549720252
Energy: 0.8130233691805225
Energy: 1.1455869677993389
Energy: 0.7970365988309255
Energy: 0.7969414047276171
Energy: 0.7970365988275961
Energy: 0.7988879926474589
Energy: 0.7974837126114834
Energy: 1.380165466972573
Energy: 0.7974837126114834
Energy: 1.1429521417680384
Energy: 0.7977353811731623
Energy: 0.7989876470790707
Energy: 0.7977353811711648
Energy: 0.8003538010862178
Energy: 0.8291124825644498
Energy: 1.2269264787617151
Energy: 0.8291124825657814
Energy: 1.1582869484316964
Energy: 0.8123995817637062
Energy: 0.8011949680244981
Energy: 0.8123995817563816
Energy: 0.7985097792159802
Energy: 0.7977693519137107
Energy: 0.7633037330950297
Energy: 0.7977693519150425
Energy: 1.3923171811681174
Energy: 0.7982345805722255
Energy: 0.7990527884801089
Energy: 0.7982345805722255
Energy: 0.83072340383459
Energy: 0.8291982154110588
Energy: 0.7567363466532615
Energy: 0.829198215410393
Energy: 1.6813869006028654
Energy: 0.8124416272072384
Energy: 0.8021837145244286
Energy: 0.8124416272099019
Energy: 1.4189826732845776
Energy: 0.7972712783266899
Energy: 0.7635254057430432
Energy: 0.7972712783293534
Energy: 1.9387307821006134
Energy: 0.7977589365798834
Energy: 0.7991930437383862
Energy: 0.7977589365825469
Energy: 0.8309337881121122
Energy: 0.8278178574285271
Energy: 0.7598702642606117
Energy: 0.8278178574311905
Energy: 1.4005899124394094
Energy: 0.8123095477442871
Energy: 0.802026798266
Energy: 0.8123095477436213
Energy: 0.7985026764662234
Energy: 0.7962810841727731
Energy: 1.1434187216439398
Energy: 0.7962810841807636
Energy: 1.380510837404406
Energy: 0.7968149969234287
Energy: 0.7992613583683607
Energy: 0.7968149969200994
Energy: 0.8003863849628736
Energy: 0.8279496565065929
Energy: 1.1464711397845635
Energy: 0.8279496566170677
Energy: 0.7767304233011104
Energy: 0.8287161537564546
Energy: 0.8021359797576011
Energy: 0.8287161537557887
Energy: 0.7758774703932884
Energy: 0.7963479825854195
Energy: 1.1614375587279204
Energy: 0.7963479825860854
Energy: 0.7610782286809992
Energy: 0.7972110829809859
Energy: 0.8008795579856146
Energy: 0.7972110829836494
Energy: 0.8004734298222262
Energy: 0.9029275664406758
Energy: 1.720707341424239
Energy: 0.9029275664360147

minimum gb energy = 0.7567363466532615 eV
minimum distance =  2.29918946641827 Angstroms
sigma value = 85


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

Energy: 1.3651104441098172
Energy: 0.7776725369469448
Energy: 1.4686339822460222
Energy: 0.7776725369469448
Energy: 1.743720598702197
Energy: 0.7741213216049962
Energy: 0.7313291631882529
Energy: 0.7741213216049962
Energy: 1.3250396331362562
Energy: 0.7742425953717914
Energy: 0.6676331219122388
Energy: 0.7742425953717914
Energy: 1.498994899917508
Energy: 0.7740333935235856
Energy: 0.7313195279551309
Energy: 0.7740333935230082
Energy: 0.7738930063395811
Energy: 0.729764794783379
Energy: 0.23901449863508514
Energy: 0.729764794783379
Energy: 1.2527748514021722
Energy: 0.7753675324515324
Energy: 0.7316399864306758
Energy: 0.7753675324561526
Energy: 0.7290202837300985
Energy: 0.8011212069729666
Energy: 0.6910447550702211
Energy: 0.8011212069729666
Energy: 1.2175777413749287
Energy: 0.7738439232940413
Energy: 0.7312280108751332
Energy: 0.7738439232928863
Energy: 0.7308746568202517
Energy: 0.7525226378475041
Energy: 1.1040894206579555
Energy: 0.7525226378480553
Energy: 0.9464690268881696
Energy: 0.7986316218493462
Energy: 0.7293930851695121
Energy: 0.7986316218487686
Energy: 0.7326534508012797
Energy: 0.7739977531600739
Energy: 1.2528211383025383
Energy: 0.7739977531600739
Energy: 0.6724168576505027
Energy: 0.7736496930987838
Energy: 0.773861920994714
Energy: 0.7736496930993615
Energy: 0.7308715672538629
Energy: 0.7505433248147809
Energy: 1.6094817744199352
Energy: 0.7505433248147809
Energy: 0.667352248154128
Energy: 0.7744831561399014
Energy: 1.2745359079724674
Energy: 0.7744831561399014
Energy: 0.732521758780434
Energy: 0.7741119133609915
Energy: 1.9581361938834516
Energy: 0.774111913361569
Energy: 0.6719812060150367
Energy: 0.7778483898932952
Energy: 1.317622702921634
Energy: 0.7778483898944503
Energy: 0.7309796584560403
Energy: 0.7505078258952664
Energy: 2.073199649268587
Energy: 0.7505078258952664
Energy: 0.9966891914186957
Energy: 0.7744449768946776
Energy: 1.2748164184483481
Energy: 0.7744449768941
Energy: 0.7325155856147536
Energy: 0.7741932707290187
Energy: 1.7119078855602434
Energy: 0.7741932707290187
Energy: 1.005301190562623
Energy: 0.7780164837847751
Energy: 0.7739206313008573
Energy: 0.7780164837888176
Energy: 0.7308666098367556
Energy: 0.7505885283089054
Energy: 1.5816328928542365
Energy: 0.7505885283077504
Energy: 1.0082260537838856
Energy: 0.7741327863536411
Energy: 0.7296050827541948
Energy: 0.7741327863519086
Energy: 0.7324003578262079
Energy: 0.7732580378550594
Energy: 1.2132531005510336
Energy: 0.7732580378556368
Energy: 1.0294251741973992
Energy: 0.7979782525579964
Energy: 0.7312856587653235
Energy: 0.7979782525597289
Energy: 0.7309386212920189
Energy: 0.7731411010757079
Energy: 1.0757554231744932
Energy: 0.7731411010751305
Energy: 1.2537687007603904
Energy: 0.774175277478442
Energy: 0.7341548941789118
Energy: 0.7741752774761319
Energy: 0.7761185231313977
Energy: 0.7730295032110746
Energy: 0.6699945183656301
Energy: 0.773029503210497
Energy: 1.4901273405220914
Energy: 0.798023267730113
Energy: 0.731405900798629
Energy: 0.7980232677306904
Energy: 1.2790631145231268
Energy: 0.775579425928759
Energy: 0.6692560134676192
Energy: 0.7755794259270264
Energy: 1.957834686241385
Energy: 0.7732755073795263
Energy: 0.7343896134650377
Energy: 0.7732755073795263
Energy: 1.3210321821839326
Energy: 0.7732729440722552
Energy: 0.6697831522281834
Energy: 0.7732729440722552
Energy: 1.7382501779243262
Energy: 0.7978204556396992
Energy: 0.7314299636384815
Energy: 0.7978204556408541
Energy: 1.2787327536094677
Energy: 0.7726767090418153
Energy: 0.6671977976829457
Energy: 0.7726767090418153
Energy: 1.712095572196934
Energy: 0.7733012812709952
Energy: 0.7346024138319586
Energy: 0.7733012812715727
Energy: 0.7755468891111263
Energy: 0.7730115582989919
Energy: 1.0097808771898662
Energy: 0.7730115583007244
Energy: 1.2391291991387219
Energy: 0.7979674415006877
Energy: 0.7314105740531661
Energy: 0.7979674415024202
Energy: 0.7311437131014988
Energy: 0.7727622282586638
Energy: 1.006369006753661
Energy: 0.7727622282575088
Energy: 1.2130359865479445
Energy: 0.7727968739423754
Energy: 0.734506731311415
Energy: 0.7727968739423754
Energy: 0.7326259051438122
Energy: 0.7731202751850661
Energy: 1.0283724877750942
Energy: 0.7731202751850661
Energy: 0.6970844685949455
Energy: 0.8224423600610284
Energy: 0.7330349746850922
Energy: 0.8224423600592958
Energy: 0.7303366685236441
Energy: 0.772825606184135
Energy: 1.529249477918232
Energy: 0.772825606186445
Energy: 0.6746040285430639
Energy: 0.7727768258461758
Energy: 0.7777648857581534
Energy: 0.7727768258461758
Energy: 0.7327538571211464
Energy: 0.7731387267912593
Energy: 1.546561097599866
Energy: 0.7731387267929919

minimum gb energy = 0.23901449863508514 eV
minimum distance =  2.31413637489796 Angstroms
sigma value = 113


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

Energy: 0.01532462531901172
Energy: 0.016191995725064738
Energy: 1.0657947262071683
Energy: 0.016191995724645438
Energy: 0.9116921921240903
Energy: 0.2852047928336967
Energy: 0.2848061827201768
Energy: 0.28520479283414063
Energy: 0.01532462531901172
Energy: 0.016191995725508702
Energy: 1.0657947262067493
Energy: 0.016191995723782177
Energy: 0.9116921921236464
Energy: 0.28520479283414063
Energy: 0.2848059997593271
Energy: 0.28520479283458455
Energy: 0.01532462531901172
Energy: 0.016191995725508702
Energy: 1.0657947262045788
Energy: 0.016191995724645438
Energy: 0.9116921921249536
Energy: 0.28520479283414063
Energy: 0.28480639606439845
Energy: 0.28520479283414063

minimum gb energy = 0.01532462531901172 eV
minimum distance =  2.53901415894908 Angstroms
sigma value = 1