Model name: model_name=Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Ni__SM_333792531460_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5199999883770943
cohesive_energy=4.450349977937713
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.01814670383087694
Energy: 0.9432662889947455
Energy: 0.01814670383087694
Energy: 0.9432662889947455
Energy: 0.01814670383087694
Energy: 0.9432662889947455
Energy: 0.9432662889947455
Energy: 0.5757582179758752
Energy: 0.9432662889944148
Energy: 0.5757582179755445
Energy: 0.9432662889944148
Energy: 0.5757582179758752
Energy: 0.01814670383087694
Energy: 0.9432662889947455
Energy: 0.01814670383087694
Energy: 0.9432662889944148
Energy: 0.01814670383087694
Energy: 0.9432662889944148
Energy: 0.9432662889944148
Energy: 0.5757582179761692
Energy: 0.9432662889944148
Energy: 0.9603556988052674
Energy: 0.9432662889944148
Energy: 1.2851287616626728
Energy: 0.01814670383087694
Energy: 0.9432662889947455
Energy: 0.01814670383087694
Energy: 0.9432662889947455
Energy: 0.01814670383087694
Energy: 0.9432662889944148
Energy: 0.9432662889947455
Energy: 0.5757582179755445
Energy: 0.9432662889944148
Energy: 1.2851287616636284
Energy: 0.9432662889944148
Energy: 0.5757582179758752

minimum gb energy = 0.01814670383087694 eV
minimum distance =  2.45531301201939 Angstroms
sigma value = 1


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

Energy: 1.279862903198455
Energy: 1.3002388431995349
Energy: 1.279862903198455
Energy: 1.3002388431995349
Energy: 1.279862903198455
Energy: 1.3002388432003313
Energy: 1.3914506769843582
Energy: 1.2268159085890442
Energy: 1.391450676983562
Energy: 1.226815908588248
Energy: 1.3914506769867467
Energy: 1.2268159085890442
Energy: 1.2331459058643577
Energy: 1.3087800874898403
Energy: 1.2331459058643577
Energy: 1.3087800874898403
Energy: 1.2331459058667462
Energy: 1.3087800874890438
Energy: 1.3990225778440717
Energy: 1.259202332743822
Energy: 1.3990225764673139
Energy: 1.259202332743822
Energy: 1.3990225779308565
Energy: 1.259202332743822
Energy: 1.2381237143650536
Energy: 1.3200894754037324
Energy: 1.238123714366646
Energy: 1.3200894755350314
Energy: 1.2381237143658497
Energy: 1.3200894757212676
Energy: 1.301801040529997
Energy: 1.2067814281147762
Energy: 1.3018010405315892
Energy: 1.20678142811398
Energy: 1.3018010405284044
Energy: 1.2067814281131837
Energy: 1.2241551039968182
Energy: 1.2506351874402353
Energy: 1.2241551026526316
Energy: 1.2506351874394392
Energy: 1.224155102708365
Energy: 1.2506351874402353
Energy: 1.2440718266019346
Energy: 1.3249394361517564
Energy: 1.2440718266027309
Energy: 1.32493933629965
Energy: 1.2440718266027309
Energy: 1.3249397271104504
Energy: 1.3529205358776224
Energy: 1.2496736162525686
Energy: 1.3529205358776224
Energy: 1.2496736162525686
Energy: 1.3529205358776224
Energy: 1.2496736162541608
Energy: 1.190437874519505
Energy: 1.3086417185087995
Energy: 1.190437874519505
Energy: 1.3086418441404621
Energy: 1.190437874520301
Energy: 1.3086425396866541
Energy: 1.3022897506906606
Energy: 1.2056524514086835
Energy: 1.3022897506906606
Energy: 1.2056524514086835
Energy: 1.3022897506906606
Energy: 1.2056524514086835
Energy: 1.20975644075231
Energy: 1.6021438134444879
Energy: 1.2097564407531063
Energy: 1.6021438134460804
Energy: 1.2097564407531063
Energy: 1.6021438134484691
Energy: 1.4177751648645682
Energy: 1.218773901325522
Energy: 1.4177751648661605
Energy: 1.218773901325522
Energy: 1.4177751648661605
Energy: 1.2187739013247263
Energy: 1.2288148395726302
Energy: 1.2633503378051547
Energy: 1.2288148395726302
Energy: 1.2633503378075435
Energy: 1.2288148395718337
Energy: 1.2633503378067472
Energy: 1.3805592548132148
Energy: 1.2072207863698912
Energy: 1.3805592547606662
Energy: 1.2072207863682987
Energy: 1.3805592547749976
Energy: 1.207220786369095
Energy: 1.3754881589106467
Energy: 1.2954392529041905
Energy: 1.375488162961446
Energy: 1.2954392530171772
Energy: 1.3754881590276145
Energy: 1.2954392529717944
Energy: 1.2339175723286713
Energy: 1.2841454398332193
Energy: 1.2339175723294675
Energy: 1.2841454398332193
Energy: 1.2339175723310598
Energy: 1.284145439832423
Energy: 1.2357473598613407
Energy: 1.242999242127572
Energy: 1.235747359862933
Energy: 1.2429992421219986
Energy: 1.2357473598653217
Energy: 1.242999242127572
Energy: 1.2712145504034094
Energy: 1.2668925932338153
Energy: 1.2712145504034094
Energy: 1.2668925932346118
Energy: 1.2712145504034094
Energy: 1.2668925932346118
Energy: 1.3208367867860387
Energy: 1.2067108339747388
Energy: 1.3208367906490817
Energy: 1.2067108339747388
Energy: 1.3208367892348303
Energy: 1.2067108339739423
Energy: 1.224257069729183
Energy: 1.5785017891511546
Energy: 1.224257069729183
Energy: 1.578501789152747
Energy: 1.2242570697299793
Energy: 1.578501789152747
Energy: 1.3011804567635492
Energy: 1.2533667307840346
Energy: 1.3011804567635492
Energy: 1.2533667307840346
Energy: 1.3011804567643455
Energy: 1.2533667307840346
Energy: 1.1890552848005929
Energy: 1.374283328625654
Energy: 1.1890552848013891
Energy: 1.3742833286240614
Energy: 1.1890552848013891
Energy: 1.3742833286264502

minimum gb energy = 1.1890552848005929 eV
minimum distance =  2.24657810361069 Angstroms
sigma value = 33


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

Energy: 1.3454414524178622
Energy: 1.3487951498003135
Energy: 1.3067988424469217
Energy: 1.3487951498003135
Energy: 1.3454414524183147
Energy: 1.3487951497998605
Energy: 1.40685080858066
Energy: 1.2476082400497022
Energy: 1.4068508085811129
Energy: 1.2476082400487964
Energy: 1.4068508085811129
Energy: 1.2476082400487964
Energy: 1.2661085368755183
Energy: 1.2528184547281271
Energy: 1.2661085368755183
Energy: 1.2528184547290329
Energy: 1.2661085368755183
Energy: 1.2528184547290329
Energy: 1.3555259482810296
Energy: 1.3552488442438968
Energy: 1.3555259505724295
Energy: 1.3552488442438968
Energy: 1.355525950421706
Energy: 1.3552488442443498
Energy: 1.270174232847829
Energy: 1.3262373034474
Energy: 1.270174232848282
Energy: 1.326237303446947
Energy: 1.270174232847829
Energy: 1.326237303446947
Energy: 1.2633031362953164
Energy: 1.265131447046713
Energy: 1.2633031362957694
Energy: 1.265131447046713
Energy: 1.2633031362975808
Energy: 1.265131447046713
Energy: 1.3612660872060969
Energy: 1.276954314248909
Energy: 1.3610121138535631
Energy: 1.2769543142480033
Energy: 1.3612660872051912
Energy: 1.276954314248456
Energy: 1.2280058856631764
Energy: 1.3491010259261051
Energy: 1.2280978564294773
Energy: 1.3491010259261051
Energy: 1.2280058856631764
Energy: 1.3491010259256522
Energy: 1.252670487739831
Energy: 1.2497136769307229
Energy: 1.2526704879629724
Energy: 1.24971367693027
Energy: 1.2526704878145134
Energy: 1.24971367693027
Energy: 1.2239757271146268
Energy: 1.4065156265489396
Energy: 1.2239746387639912
Energy: 1.406515626537618
Energy: 1.2239757271141738
Energy: 1.4065156265389764
Energy: 1.473300013510725
Energy: 1.2399600357489573
Energy: 1.473300013510725
Energy: 1.2399600357494103
Energy: 1.473300013510725
Energy: 1.2399600357494103
Energy: 1.2481483949200431
Energy: 1.3742369910208831
Energy: 1.2481314064616784
Energy: 1.3742369910204302
Energy: 1.2481483949200431
Energy: 1.3742369910208831
Energy: 1.2390516738454975
Energy: 1.2629743902802042
Energy: 1.2390516738445918
Energy: 1.2629743902806572
Energy: 1.2390516738450448
Energy: 1.2629743902806572
Energy: 1.2366915328974066
Energy: 1.338153192764936
Energy: 1.2366915328978596
Energy: 1.338153192764936
Energy: 1.2366915328983126
Energy: 1.3381531927640302
Energy: 1.298204584747322
Energy: 1.2380224326117149
Energy: 1.298204584754115
Energy: 1.2380224326275655
Energy: 1.2982045847550208
Energy: 1.2380224324265732
Energy: 1.26520641602989
Energy: 1.2493882589527474
Energy: 1.26520641602989
Energy: 1.2493882589532004
Energy: 1.265206416029437
Energy: 1.2493882589527474
Energy: 1.357694381235479
Energy: 1.3049224832588648
Energy: 1.357694381235932
Energy: 1.3049224832584119
Energy: 1.357694381235026
Energy: 1.304922483257959
Energy: 1.274039360839175
Energy: 1.2506198186291282
Energy: 1.2740393608396277
Energy: 1.2506198186286752
Energy: 1.274039360841439
Energy: 1.2506198186286752
Energy: 1.2639617129905958
Energy: 1.250683675472157
Energy: 1.263961712990143
Energy: 1.2506836754726096
Energy: 1.2639617129905958
Energy: 1.2506836754730626
Energy: 1.3333533448926258
Energy: 1.2808183376790885
Energy: 1.3333533448921733
Energy: 1.280818337678636
Energy: 1.3333533448917203
Energy: 1.280818337678183
Energy: 1.2176816308756677
Energy: 1.4062102098350764
Energy: 1.2176816308756677
Energy: 1.4062102098346236
Energy: 1.2176816308756677
Energy: 1.4062102098350764
Energy: 1.2391951820467058
Energy: 1.2664504314373852
Energy: 1.2391951820507816
Energy: 1.2664504314373852
Energy: 1.2391951820507816
Energy: 1.266450431437838
Energy: 1.2256569573105762
Energy: 1.4067271659488667
Energy: 1.2256740170493956
Energy: 1.4067271659484137
Energy: 1.225656957311029
Energy: 1.4067271659488667
Energy: 1.4244921830946555
Energy: 1.2705956503369278
Energy: 1.4244921830964672
Energy: 1.2705956503382867
Energy: 1.4244921830955612
Energy: 1.2705956503391922
Energy: 1.2659505046024873
Energy: 1.2641558172826064
Energy: 1.266005513924681
Energy: 1.2641558172830591
Energy: 1.2659505046024873
Energy: 1.2641558172812477
Energy: 1.348785810364272
Energy: 1.3234679191708725
Energy: 1.3097483265439112
Energy: 1.323467919172231
Energy: 1.348785810363366
Energy: 1.3234679191699668
Energy: 1.3486316524381146
Energy: 1.2729282104501838
Energy: 1.3099614866891134
Energy: 1.2729282104506368
Energy: 1.348631652437209
Energy: 1.2729282104501838
Energy: 1.2523405426082443
Energy: 1.238821178205424
Energy: 1.2523405426077914
Energy: 1.238821178198631
Energy: 1.2523405426082443
Energy: 1.238821178202254
Energy: 1.410273957707098
Energy: 1.2311996135844623
Energy: 1.4102739577084564
Energy: 1.2311996135844623
Energy: 1.4102739577089094
Energy: 1.2311996135840095
Energy: 1.238426734595432
Energy: 1.4761266284134926
Energy: 1.238426734594979
Energy: 1.4761266284130399
Energy: 1.238426734595432
Energy: 1.4761266284134926
Energy: 1.273811809290933
Energy: 1.2496524802436497
Energy: 1.2738118093502175
Energy: 1.2496524802436497
Energy: 1.2738118093941462
Energy: 1.2496524802441022
Energy: 1.2618270846148023
Energy: 1.2785863480401212
Energy: 1.2618270846138966
Energy: 1.2785863480396682
Energy: 1.2618270846143493
Energy: 1.2785863480401212
Energy: 1.362410732562514
Energy: 1.2811089299088876
Energy: 1.3620385333737275
Energy: 1.2811089299088876
Energy: 1.3624107325620611
Energy: 1.2811089299088876
Energy: 1.251415355457347
Energy: 1.2990122151112242
Energy: 1.2514153554582526
Energy: 1.299012215094015
Energy: 1.2514153554564411
Energy: 1.2990122151089598
Energy: 1.2501478814137672
Energy: 1.2648430654624958
Energy: 1.2501478814142202
Energy: 1.2648430654624958
Energy: 1.2501478814146731
Energy: 1.2648430654624958
Energy: 1.3097047575707461
Energy: 1.356358960050216
Energy: 1.3097047575707461
Energy: 1.356358960050216
Energy: 1.3097047575702934
Energy: 1.356358960050216
Energy: 1.2501317310499966
Energy: 1.271662876581751
Energy: 1.2507907284347421
Energy: 1.271662876581751
Energy: 1.250131731049544
Energy: 1.271662876581751
Energy: 1.2725604901928527
Energy: 1.2637117464649135
Energy: 1.2725604901933056
Energy: 1.263711746466272
Energy: 1.2725604901937584
Energy: 1.2637117464671779
Energy: 1.237030486608099
Energy: 1.3385752759289564
Energy: 1.2370304866067403
Energy: 1.3385752759285037
Energy: 1.2370304866067403
Energy: 1.3385752759280507
Energy: 1.350413488938621
Energy: 1.2010416433963405
Energy: 1.3504134889377153
Energy: 1.2010416433963405
Energy: 1.3504134889377153
Energy: 1.2010416433963405
Energy: 1.2496664361337104
Energy: 1.3100413583022052
Energy: 1.2496664361332575
Energy: 1.3100413583017525
Energy: 1.2496664361328045
Energy: 1.3100413583017525

minimum gb energy = 1.2010416433963405 eV
minimum distance =  2.33617486426563 Angstroms
sigma value = 51


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

Energy: 1.296437434710386
Energy: 1.314422687622229
Energy: 1.296437434710386
Energy: 1.314422687622229
Energy: 1.296437434710386
Energy: 1.314422687622229
Energy: 1.3899248460406861
Energy: 1.2746406302902
Energy: 1.389924846043834
Energy: 1.2746406302902
Energy: 1.3899248460427849
Energy: 1.2746406302902
Energy: 1.2248592147491226
Energy: 1.3100911615297173
Energy: 1.2248592147480732
Energy: 1.3100911615297173
Energy: 1.2248592147501718
Energy: 1.3100911615297173
Energy: 1.290620396666632
Energy: 1.2420829850614865
Energy: 1.2906203966655827
Energy: 1.2420829850614865
Energy: 1.2906203966655827
Energy: 1.2420829850614865
Energy: 1.326843501106345
Energy: 1.246475269124074
Energy: 1.3268434807978866
Energy: 1.2464752691251233
Energy: 1.326843514063548
Energy: 1.2464752691251233
Energy: 1.3264173014741074
Energy: 1.2454760492654144
Energy: 1.3264172811792894
Energy: 1.2454760492675132
Energy: 1.326417351307066
Energy: 1.2454760492654144
Energy: 1.3600117980677806
Energy: 1.2459353349591826
Energy: 1.3600117980667312
Energy: 1.2459353349602318
Energy: 1.3600117980677806
Energy: 1.2459353349602318
Energy: 1.2279278482648945
Energy: 1.2467579359215686
Energy: 1.2279278482659437
Energy: 1.246757935922618
Energy: 1.2279278482648945
Energy: 1.246757935922618
Energy: 1.4623472190726332
Energy: 1.2372920556596905
Energy: 1.4623472236424027
Energy: 1.237292055658641
Energy: 1.4623472643924849
Energy: 1.2372920556596905
Energy: 1.2674006531239668
Energy: 1.5094119219034658
Energy: 1.2674006531239668
Energy: 1.5094119219034658
Energy: 1.2674006531239668
Energy: 1.5094119219034658
Energy: 1.4290773954245535
Energy: 1.227119514488667
Energy: 1.4290773954245535
Energy: 1.227119514488667
Energy: 1.4290773954245535
Energy: 1.2271195144897167
Energy: 1.2939523599325573
Energy: 1.314032018936214
Energy: 1.2939523599325573
Energy: 1.3140320189372632
Energy: 1.2939523599325573
Energy: 1.314032018936214
Energy: 1.4415914391207056
Energy: 1.2763164343009938
Energy: 1.4415914391888622
Energy: 1.2763164343009938
Energy: 1.4415914334224211
Energy: 1.2763164343009938
Energy: 1.2254211115830171
Energy: 1.2539477470124438
Energy: 1.2254211115830171
Energy: 1.2539477470113947
Energy: 1.2254211115840665
Energy: 1.2539477470113947
Energy: 1.291783339083146
Energy: 1.3077891841692875
Energy: 1.291783339083146
Energy: 1.3077891841682383
Energy: 1.2917833390841953
Energy: 1.3077891841692875
Energy: 1.3282008231127116
Energy: 1.2456065871447333
Energy: 1.3282008218069132
Energy: 1.2456065871447333
Energy: 1.32820082601377
Energy: 1.2456065871447333
Energy: 1.3263958129884903
Energy: 1.3185235614890698
Energy: 1.3263958129654059
Energy: 1.3185235614890698
Energy: 1.3263958129685536
Energy: 1.3185235614838235
Energy: 1.2962834358697877
Energy: 1.2508740706466455
Energy: 1.2962834358687383
Energy: 1.2508740706466455
Energy: 1.2962834358687383
Energy: 1.2508740706466455

minimum gb energy = 1.2248592147480732 eV
minimum distance =  2.25055904800637 Angstroms
sigma value = 19


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

Energy: 1.151291342228622
Energy: 1.1594528797180212
Energy: 1.151291342228622
Energy: 1.1594528797180212
Energy: 1.1512913422279996
Energy: 1.1594528797180212
Energy: 1.2264581384155722
Energy: 1.2907830455413805
Energy: 1.2264581384174396
Energy: 1.2907830455413805
Energy: 1.2264581384155722
Energy: 1.290783045540758
Energy: 1.0912464331573075
Energy: 1.288717301569002
Energy: 1.0912464331573075
Energy: 1.288717301575226
Energy: 1.09124643315793
Energy: 1.2887173015727365
Energy: 1.2098926152021439
Energy: 1.091187162471183
Energy: 1.2098926152021439
Energy: 1.091187162471183
Energy: 1.2098926152027663
Energy: 1.0911871624718057
Energy: 1.1264010281315033
Energy: 1.1508388535117897
Energy: 1.1264010281302586
Energy: 1.1508388535117897
Energy: 1.1264010281302586
Energy: 1.1508388535124123
Energy: 1.126443601729251
Energy: 1.1509218491847553
Energy: 1.1264436017298733
Energy: 1.1509218491853779
Energy: 1.126443601729251
Energy: 1.1509218491847553
Energy: 1.2098682533794223
Energy: 1.0910326852405605
Energy: 1.2098682533794223
Energy: 1.0910326852399383
Energy: 1.2098682533794223
Energy: 1.0910326852399383
Energy: 1.0912359000985143
Energy: 1.2887422569768865
Energy: 1.0912359000978917
Energy: 1.2887422569762639
Energy: 1.0912359000978917
Energy: 1.2887422569762639
Energy: 1.2270488068695995
Energy: 1.2907235008206932
Energy: 1.2270488068633754
Energy: 1.2907235008206932
Energy: 1.2270488068695995
Energy: 1.2907235008213156
Energy: 1.1512913422279996
Energy: 1.159452879717399
Energy: 1.151291342228622
Energy: 1.159452879717399
Energy: 1.1512913422273774
Energy: 1.159452879717399
Energy: 1.2264581384161948
Energy: 1.290783045542003
Energy: 1.2264581384161948
Energy: 1.290783045542003
Energy: 1.2264581384155722
Energy: 1.2907830455413805
Energy: 1.0912464331591745
Energy: 1.2887173015764706
Energy: 1.09124643315793
Energy: 1.288717301575226
Energy: 1.091246433158552
Energy: 1.2887173015727365
Energy: 1.2098926152027663
Energy: 1.0911871624718057
Energy: 1.2098926152027663
Energy: 1.0911871624724279
Energy: 1.2098926152027663
Energy: 1.0911871624718057
Energy: 1.1264010281315033
Energy: 1.1508388535117897
Energy: 1.1264010281308807
Energy: 1.1508388535124123
Energy: 1.1264010281302586
Energy: 1.1508388535117897
Energy: 1.126443601729251
Energy: 1.1509218491847553
Energy: 1.126443601729251
Energy: 1.1509218491847553
Energy: 1.126443601729251
Energy: 1.150921849184133
Energy: 1.2098682533794223
Energy: 1.0910326852405605
Energy: 1.2098682533787999
Energy: 1.0910326852399383
Energy: 1.2098682533794223
Energy: 1.0910326852405605
Energy: 1.0912359000985143
Energy: 1.2887422569768865
Energy: 1.0912359000978917
Energy: 1.2887422569775089
Energy: 1.0912359000978917
Energy: 1.2887422569762639
Energy: 1.227048806873334
Energy: 1.2907235008219382
Energy: 1.2270488068683547
Energy: 1.2907235008219382
Energy: 1.227048806865865
Energy: 1.2907235008213156
Energy: 1.151291342228622
Energy: 1.159452879717399
Energy: 1.151291342228622
Energy: 1.159452879717399
Energy: 1.1512913422279996
Energy: 1.159452879717399
Energy: 1.2264581384174396
Energy: 1.290783045540758
Energy: 1.2264581384180617
Energy: 1.290783045542003
Energy: 1.2264581384168172
Energy: 1.290783045542003
Energy: 1.091246433156685
Energy: 1.288717301572114
Energy: 1.091246433158552
Energy: 1.2887173015702467
Energy: 1.09124643315793
Energy: 1.2887173015746036
Energy: 1.2098926152027663
Energy: 1.0911871624724279
Energy: 1.2098926152021439
Energy: 1.0911871624730503
Energy: 1.2098926152021439
Energy: 1.0911871624724279
Energy: 1.1264010281315033
Energy: 1.1508388535124123
Energy: 1.1264010281302586
Energy: 1.1508388535124123
Energy: 1.1264010281315033
Energy: 1.1508388535124123
Energy: 1.126443601729251
Energy: 1.1509218491847553
Energy: 1.126443601729251
Energy: 1.1509218491847553
Energy: 1.126443601729251
Energy: 1.1509218491847553
Energy: 1.2098682533787999
Energy: 1.0910326852405605
Energy: 1.2098682533787999
Energy: 1.0910326852399383
Energy: 1.2098682533794223
Energy: 1.0910326852399383
Energy: 1.0912359000985143
Energy: 1.2887422569768865
Energy: 1.0912359000991367
Energy: 1.2887422569762639
Energy: 1.0912359000985143
Energy: 1.2887422569762639
Energy: 1.2270488068677323
Energy: 1.2907235008219382
Energy: 1.2270488068577738
Energy: 1.2907235008219382
Energy: 1.227048806865865
Energy: 1.2907235008213156
Energy: 1.1512913422279996
Energy: 1.159452879717399
Energy: 1.1512913422279996
Energy: 1.159452879717399
Energy: 1.151291342228622
Energy: 1.159452879717399
Energy: 1.2264581384168172
Energy: 1.290783045540758
Energy: 1.2264581384168172
Energy: 1.2907830455413805
Energy: 1.2264581384161948
Energy: 1.290783045540758
Energy: 1.0912464331573075
Energy: 1.2887173015714917
Energy: 1.09124643315793
Energy: 1.288717301572114
Energy: 1.09124643315793
Energy: 1.288717301572114

minimum gb energy = 1.0910326852399383 eV
minimum distance =  2.25078813355781 Angstroms
sigma value = 27


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

Energy: 1.1114969953083524
Energy: 1.0667255400337907
Energy: 1.1114969953083524
Energy: 1.0667255400322662
Energy: 1.111496995309877
Energy: 1.0667255400322662
Energy: 1.3743487383142852
Energy: 1.0207177543371826
Energy: 1.3743487383173343
Energy: 1.0206351765820636
Energy: 1.3743487383142852
Energy: 1.020968958182874
Energy: 1.023238930350076
Energy: 1.284810734596584
Energy: 1.023238930350076
Energy: 1.284810734596584
Energy: 1.023238930350076
Energy: 1.284810734596584
Energy: 1.2032377983007723
Energy: 1.0345837489356682
Energy: 1.2032377983007723
Energy: 1.0345837489371925
Energy: 1.2032377982992477
Energy: 1.0345837489371925
Energy: 1.2427125477747316
Energy: 1.0345728620527943
Energy: 1.2427125477747316
Energy: 1.0345728620527943
Energy: 1.2427125477747316
Energy: 1.0345728620527943
Energy: 1.1902068894768274
Energy: 1.2831956285647261
Energy: 1.1902068894768274
Energy: 1.2831956285647261
Energy: 1.1902068894753028
Energy: 1.2831956285647261
Energy: 1.1432044098616194
Energy: 1.1114403943111004
Energy: 1.1432044098616194
Energy: 1.1114403943111004
Energy: 1.1432044098616194
Energy: 1.111440394309576
Energy: 1.1097047115106347
Energy: 1.0719002790539023
Energy: 1.1097047115106347
Energy: 1.0719002790539023
Energy: 1.1097047115106347
Energy: 1.0719002790539023
Energy: 1.1361053803427101
Energy: 1.1186275900770084
Energy: 1.1361053803427101
Energy: 1.1186275900770084
Energy: 1.1361053803411858
Energy: 1.118627590073959
Energy: 1.1902708737901748
Energy: 1.2060701765182773
Energy: 1.1902708737901748
Energy: 1.2060701765182773
Energy: 1.1902708737901748
Energy: 1.2060701765182773
Energy: 1.1086553233700052
Energy: 1.035003811704256
Energy: 1.1086554017813504
Energy: 1.035003811704256
Energy: 1.1086552657036641
Energy: 1.035003811704256
Energy: 1.2422831191316983
Energy: 1.1347682397141359
Energy: 1.2422831191316983
Energy: 1.1347682397141359
Energy: 1.2422831191316983
Energy: 1.1347682397141359

minimum gb energy = 1.0206351765820636 eV
minimum distance =  2.24405314474783 Angstroms
sigma value = 9


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

Energy: 1.0113748791242951
Energy: 1.0824412998947377
Energy: 1.0113748791242951
Energy: 1.082441299895166
Energy: 1.0113748791242951
Energy: 1.0824412998947377
Energy: 1.3856133883511128
Energy: 0.8749672523701837
Energy: 1.3856133883493993
Energy: 0.8749672523710404
Energy: 1.3856133883519695
Energy: 0.8749672523714688
Energy: 0.9501447436242242
Energy: 1.103873313718786
Energy: 0.9501447436237956
Energy: 1.103873313670419
Energy: 0.9501447436233674
Energy: 1.1038733136442882
Energy: 0.9654980335806819
Energy: 0.934336222916972
Energy: 0.9654980335811103
Energy: 0.9343362220893178
Energy: 0.9654980335811103
Energy: 0.9343362220751815
Energy: 1.0350053425031729
Energy: 1.0153907567728733
Energy: 1.0350053425023162
Energy: 1.0153907567733018
Energy: 1.0350053425027448
Energy: 1.015390756772445
Energy: 1.0362842516991095
Energy: 1.0015073789863669
Energy: 1.0362842516991095
Energy: 1.0015073789867952
Energy: 1.0362842516858297
Energy: 1.0015073789850817
Energy: 0.9577897037354925
Energy: 1.0340565538570716
Energy: 0.9577897037346357
Energy: 1.0340565538523594
Energy: 0.9577897037414896
Energy: 1.0340565538566433
Energy: 0.9053665582426601
Energy: 1.1449064318794582
Energy: 0.9053665582426601
Energy: 1.1449064318794582
Energy: 0.9053665582422316
Energy: 1.1449064318798867
Energy: 1.006053804373814
Energy: 1.0169206925859717
Energy: 1.0060538043729572
Energy: 1.0169206925859717
Energy: 1.0060538043763843
Energy: 1.0169206925864003
Energy: 1.0448717416324749
Energy: 0.9577930213833167
Energy: 1.0448717416316182
Energy: 0.9577930213833167
Energy: 1.0448717416320463
Energy: 0.9577930213811747
Energy: 0.9655679366329832
Energy: 0.9395094290762095
Energy: 0.9655679366312696
Energy: 0.9395094290770662
Energy: 0.9655679366291279
Energy: 0.9395094290762095
Energy: 0.9769832653495089
Energy: 0.9754178015888553
Energy: 0.9769832653495089
Energy: 0.9754178016642487
Energy: 0.9769832653499372
Energy: 0.9754178015511975
Energy: 0.9952250096272273
Energy: 0.981543607967205
Energy: 0.995225009630226
Energy: 0.9815436079616752
Energy: 0.9952250096315112
Energy: 0.98154360796039
Energy: 1.0067304980296374
Energy: 1.008790771200082
Energy: 1.0067304980262106
Energy: 1.0087907712017954
Energy: 1.0067304980292089
Energy: 1.0087907712030804
Energy: 0.9465857597311104
Energy: 1.0236314776833424
Energy: 0.9465857597319672
Energy: 1.0236314776846276
Energy: 0.9465857597315388
Energy: 1.0236314776850557
Energy: 0.9312977332249678
Energy: 0.982170390296674
Energy: 0.9312977332249678
Energy: 0.9821703903001009
Energy: 0.9312977332271095
Energy: 0.9821703902996727
Energy: 1.2276398334293646
Energy: 0.9344671471432294
Energy: 1.2276398334293646
Energy: 0.9344671502531348
Energy: 1.2276398334293646
Energy: 0.9344671481220601
Energy: 0.9600799237810198
Energy: 1.0385749945704696
Energy: 0.9600799237797347
Energy: 1.0385749945708977
Energy: 0.9600799237814484
Energy: 1.0385749945704696
Energy: 0.901998026101822
Energy: 1.3177771794301867
Energy: 0.9019980260735494
Energy: 1.3177771794301867
Energy: 0.9019980260769763
Energy: 1.3177771794301867
Energy: 1.2345179181427346
Energy: 1.0057756182360316
Energy: 1.234517918143163
Energy: 1.0159917603392559
Energy: 1.2345179181440196
Energy: 1.0159917603396844
Energy: 0.9020041880386733
Energy: 1.3178814869524302
Energy: 0.9020041880245372
Energy: 1.3178814869524302
Energy: 0.9020041880223951
Energy: 1.3178814869524302
Energy: 0.9600859696813452
Energy: 0.9893921835003091
Energy: 0.9600859696783466
Energy: 0.9893921834998807
Energy: 0.9600859696804885
Energy: 0.9893921834998807
Energy: 1.2276828498002292
Energy: 0.9347091944721622
Energy: 1.2276828497998011
Energy: 0.9347091944469272
Energy: 1.2276828498002292
Energy: 0.9347091944370747
Energy: 0.9314848006558734
Energy: 0.9812275755054072
Energy: 0.9314848006545883
Energy: 0.9812275755079772
Energy: 0.9314848006545883
Energy: 0.981227575603037
Energy: 0.9465415086939969
Energy: 1.023507525118912
Energy: 0.9465415086944252
Energy: 1.023507525123196
Energy: 0.9465415086939969
Energy: 1.0235075251223391
Energy: 1.0068374697932878
Energy: 1.0093725442075026
Energy: 1.0068374697954299
Energy: 1.009372544204504
Energy: 1.0068374697937161
Energy: 1.0093725442049324
Energy: 0.9938745949700796
Energy: 0.9820529696471593
Energy: 0.9938745923526077
Energy: 0.9820529696711482
Energy: 0.9938745948052341
Energy: 0.9820529696677213
Energy: 0.9769930768014801
Energy: 0.9756922277975344
Energy: 0.9769930768014801
Energy: 0.9756922279683773
Energy: 0.9769930768019085
Energy: 0.9756922278947361
Energy: 0.9652103175377923
Energy: 0.9396998674191066
Energy: 0.9652103175296531
Energy: 0.9396998674195352
Energy: 0.9652103175403627
Energy: 0.9396998674191066
Energy: 1.0448249646396732
Energy: 0.9070070729092721
Energy: 1.0448249646401013
Energy: 0.9070070729097005
Energy: 1.0448249646396732
Energy: 0.9070070729088436
Energy: 1.0067855396463055
Energy: 1.0169707414483538
Energy: 1.0067855396454486
Energy: 1.0169707414483538
Energy: 1.0067855396475902
Energy: 1.0169707414479254
Energy: 0.9053297905562266
Energy: 1.1452185510620594
Energy: 0.9053297905562266
Energy: 1.1452185510612025
Energy: 0.9053297905566551
Energy: 1.1452185510616308
Energy: 0.9572211164720482
Energy: 1.0342029767872307
Energy: 0.9572211164699063
Energy: 1.0342029767872307
Energy: 0.9572211164720482
Energy: 1.0342029767872307
Energy: 1.036599945360483
Energy: 1.053511380039796
Energy: 1.0365999453596264
Energy: 0.9922453631107245
Energy: 1.0365999453587695
Energy: 0.9922453631081543
Energy: 1.0347392021856836
Energy: 1.0160988345719846
Energy: 1.034739202186112
Energy: 1.0160988345732698
Energy: 1.0347392021856836
Energy: 1.0160988345741264
Energy: 0.9655217755712237
Energy: 0.9346563151245062
Energy: 0.9655217755699386
Energy: 0.9346563149266762
Energy: 0.9655217755699386
Energy: 0.9346563150624312
Energy: 0.9501370319390531
Energy: 1.0966620591257048
Energy: 0.9501370319403382
Energy: 1.0966620591257048
Energy: 0.9501370319407664
Energy: 1.0966620591248482
Energy: 1.3860753927768923
Energy: 0.9632867640647342
Energy: 1.3860753927760352
Energy: 0.9871971833083353
Energy: 1.3860753927760352
Energy: 0.9871971833083353
Energy: 1.0113748791238668
Energy: 1.082441299895166
Energy: 1.0113748791238668
Energy: 1.0824412998947377
Energy: 1.0113748791242951
Energy: 1.082441299895166
Energy: 1.3856133883515411
Energy: 0.8749672523701837
Energy: 1.3856133883515411
Energy: 0.874967252370612
Energy: 1.3856133883511128
Energy: 0.8749672523697555
Energy: 0.9501447436255092
Energy: 1.1038733136190144
Energy: 0.9501447436242242
Energy: 1.1038733137162158
Energy: 0.9501447436250807
Energy: 1.1038733136952257
Energy: 0.9654980335806819
Energy: 0.934336222645968
Energy: 0.9654980335811103
Energy: 0.9343362226891948
Energy: 0.9654980335811103
Energy: 0.9343362231302236
Energy: 1.0350053425027448
Energy: 1.015390756772445
Energy: 1.0350053425027448
Energy: 1.0153907567715883
Energy: 1.0350053425023162
Energy: 1.0153907567728733

minimum gb energy = 0.8749672523697555 eV
minimum distance =  2.31271277778514 Angstroms
sigma value = 57


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

Energy: 0.6527300800506618
Energy: 0.6529473829353384
Energy: 0.3953394430088433
Energy: 0.6529473829353384
Energy: 0.6527300800506618
Energy: 0.6529473829363136
Energy: 0.8171523959163965
Energy: 0.6502683998994437
Energy: 0.8171523959154214
Energy: 0.6486389725216624
Energy: 0.8171523959163965
Energy: 0.6502683998994437
Energy: 0.717370997037632
Energy: 0.7966154056343385
Energy: 0.7173709970366567
Energy: 1.0470103272625557
Energy: 0.717370997037632
Energy: 0.7966154056314131
Energy: 0.6527745990125474
Energy: 0.5244853806143126
Energy: 0.6527745990115722
Energy: 0.3950886408999357
Energy: 0.6527745990125474
Energy: 0.5244853806143126
Energy: 0.5622772161377886
Energy: 0.8232020197398267
Energy: 0.5622772161377886
Energy: 0.8232020197398267
Energy: 0.5622772161377886
Energy: 0.8232020197398267
Energy: 0.3954746682930426
Energy: 0.7167278004519249
Energy: 0.3954746682930426
Energy: 0.7167278004519249
Energy: 0.3954746682930426
Energy: 0.7167278004519249
Energy: 0.3952400189882938
Energy: 0.4704812136546848
Energy: 0.39524001898926897
Energy: 0.4704812136546848
Energy: 0.3952400189882938
Energy: 0.4704812136546848
Energy: 0.8171901221287696
Energy: 0.5677356486871098
Energy: 0.8171901221287696
Energy: 0.5677356486871098
Energy: 0.8171901221277945
Energy: 0.5677356486871098
Energy: 0.6544085854762702
Energy: 0.39509039418106034
Energy: 0.6544085854762702
Energy: 0.524538796688731
Energy: 0.6544085854762702
Energy: 0.3950903941800852
Energy: 0.47068354446956
Energy: 0.7949876647482375
Energy: 0.47068354446956
Energy: 0.7949876647472623
Energy: 0.47068354446956
Energy: 0.7949876647482375
Energy: 0.5622001330049133
Energy: 0.8385617024413445
Energy: 0.5622001330058884
Energy: 0.8385617024413445
Energy: 0.5622001330058884
Energy: 0.8385617024413445
Energy: 0.6527300800516369
Energy: 0.6529473829353384
Energy: 0.3953394430088433
Energy: 0.6529473829353384
Energy: 0.6527300800516369
Energy: 0.6529473829363136
Energy: 0.8171523959163965
Energy: 0.6502683998994437
Energy: 0.8171523959163965
Energy: 0.6486389725216624
Energy: 0.8171523959163965
Energy: 0.6502683998994437
Energy: 0.7173709970366567
Energy: 0.7966154056353136
Energy: 0.717370997037632
Energy: 1.0470103272625557
Energy: 0.717370997037632
Energy: 0.7966154056284878
Energy: 0.6527745990125474
Energy: 0.5244853806143126
Energy: 0.6527745990125474
Energy: 0.3950886408999357
Energy: 0.6527745990115722
Energy: 0.5244853806143126
Energy: 0.5622772161377886
Energy: 0.8232020197398267
Energy: 0.5622772161368134
Energy: 0.8232020197398267
Energy: 0.5622772161368134
Energy: 0.8232020197398267
Energy: 0.3954746682920675
Energy: 0.7167278004519249
Energy: 0.3954746682920675
Energy: 0.7167278004519249
Energy: 0.3954746682920675
Energy: 0.7167278004519249
Energy: 0.3952400189882938
Energy: 0.4704812136546848
Energy: 0.3952400189882938
Energy: 0.47048121365370965
Energy: 0.3952400189882938
Energy: 0.4704812136546848
Energy: 0.8171901221287696
Energy: 0.5677356486871098
Energy: 0.8171901221287696
Energy: 0.5677356486871098
Energy: 0.8171901221277945
Energy: 0.5677356486871098

minimum gb energy = 0.3950886408999357 eV
minimum distance =  2.39333325494859 Angstroms
sigma value = 11


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

Energy: 0.8884381984361857
Energy: 0.9980472883530944
Energy: 0.8884381984369
Energy: 0.9980472883530944
Energy: 0.8884381984361857
Energy: 0.9980472883530944
Energy: 0.9574585122169789
Energy: 0.8725567479388933
Energy: 0.9574585122112645
Energy: 0.8725567479410361
Energy: 0.9574585122219789
Energy: 0.8725567479403219
Energy: 0.8958088019041889
Energy: 1.3798118843282638
Energy: 0.8958088019091889
Energy: 1.3798118843289784
Energy: 0.8958088019041889
Energy: 1.3798118843282638
Energy: 1.1364186848782343
Energy: 0.7964031326618356
Energy: 1.1364186848789486
Energy: 0.796403132660407
Energy: 1.1364186848782343
Energy: 0.7964031326625499
Energy: 0.9595759394802122
Energy: 0.7596005181453379
Energy: 0.959575939479498
Energy: 0.7596005181474808
Energy: 0.959575939479498
Energy: 0.7596005181474808
Energy: 0.9265857576654855
Energy: 0.7869754214355055
Energy: 0.9265857576633426
Energy: 0.7869754214362197
Energy: 0.9265857576647712
Energy: 0.7869754214347912
Energy: 0.7644317382622552
Energy: 1.045675394666061
Energy: 0.764431738261541
Energy: 1.045675394668204
Energy: 0.7644317382622552
Energy: 1.045675394668204
Energy: 0.9952331854865926
Energy: 0.7223919140188997
Energy: 0.9952331854858782
Energy: 0.7223919140188997
Energy: 0.9952331854865926
Energy: 0.7223919140181855
Energy: 0.9899126190073818
Energy: 0.7273120606527815
Energy: 0.9899126190073818
Energy: 0.727312060653496
Energy: 0.9899126190073818
Energy: 0.7273120606527815
Energy: 0.7443952901123176
Energy: 1.090335681609162
Energy: 0.744395290108746
Energy: 1.090335681610591
Energy: 0.7443952901116032
Energy: 1.0903356816098766
Energy: 1.1734158372532326
Energy: 0.9372349996263952
Energy: 1.1734158372510899
Energy: 0.9372349996271095
Energy: 1.1734158372503753
Energy: 0.9372349996278241
Energy: 0.9642415203326301
Energy: 0.7620972441212167
Energy: 0.9642415203319158
Energy: 0.7620972441205024
Energy: 0.9642415203326301
Energy: 0.7620972441197881
Energy: 1.0192044480690976
Energy: 0.8026983112130112
Energy: 1.0192044480683835
Energy: 0.8026983112108683
Energy: 1.0192044480690976
Energy: 0.802698311210154
Energy: 1.0610287493702961
Energy: 1.3354988690719711
Energy: 1.0610287493702961
Energy: 1.3354988690726854
Energy: 1.0610287493695816
Energy: 1.3354988690726854
Energy: 1.283690731690951
Energy: 0.8702083528563777
Energy: 1.2836907316902366
Energy: 0.870208352857092
Energy: 1.2836907316902366
Energy: 0.8702083528578062
Energy: 0.8266748162736
Energy: 1.0003885578450784
Energy: 0.8266748161215185
Energy: 1.000388557844364
Energy: 0.8266748185176124
Energy: 1.000388557844364
Energy: 0.8793461484930771
Energy: 0.8654757744539096
Energy: 0.8793461484930771
Energy: 0.8654757744560524
Energy: 0.8793461484923627
Energy: 0.8654757744553382
Energy: 1.228641749830889
Energy: 1.1954606226247435
Energy: 1.2286417498316031
Energy: 1.1954606226261721
Energy: 1.2286417498323174
Energy: 1.195460622625458
Energy: 1.1362537614265051
Energy: 0.7918922289609043
Energy: 1.1362537614272195
Energy: 0.7918922289601901
Energy: 1.1362537614272195
Energy: 0.7918922289609043
Energy: 0.9641704312168501
Energy: 0.8850452860276057
Energy: 0.9641704312161358
Energy: 0.8850452860283199
Energy: 0.9641704312168501
Energy: 0.885045286026177
Energy: 0.7457085071221824
Energy: 0.7903752559293684
Energy: 0.7457085071221824
Energy: 0.7903752559300827
Energy: 0.7457085071249747
Energy: 0.7903752559300827
Energy: 1.011974485917752
Energy: 0.9807874599731798
Energy: 1.0119744859191806
Energy: 0.9807847923811276
Energy: 1.011974485917752
Energy: 0.9807863908470513
Energy: 1.0006821070316303
Energy: 0.8951331900618997
Energy: 1.0006821070316303
Energy: 0.8951331900618997
Energy: 1.0006821070316303
Energy: 0.8951331900618997
Energy: 0.991087545138164
Energy: 0.8580660581005783
Energy: 0.9910875451388783
Energy: 0.8580660581005783
Energy: 0.9910875451388783
Energy: 0.858066058099864
Energy: 0.745504265479965
Energy: 1.0908143256925151
Energy: 0.7455042654785363
Energy: 1.0908143256903722
Energy: 0.7455042654806793
Energy: 1.090814325682515
Energy: 1.3967200038509655
Energy: 0.936612604117761
Energy: 1.3967200038509655
Energy: 0.9366126041163325
Energy: 1.3967200038502512
Energy: 0.9366126041184754

minimum gb energy = 0.7223919140181855 eV
minimum distance =  2.30723894607859 Angstroms
sigma value = 41


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

Energy: 1.0028824377248597
Energy: 0.8681118683676028
Energy: 1.0028824377248597
Energy: 0.8681118683676028
Energy: 1.0028824377248597
Energy: 0.8681118683664768
Energy: 1.107953970511968
Energy: 1.0487856054494002
Energy: 1.1079539705125312
Energy: 1.0487856054488371
Energy: 1.107953970513094
Energy: 1.0487856054488371
Energy: 1.3609126166390348
Energy: 1.0474047083859328
Energy: 1.3609126166395977
Energy: 1.0474047083859328
Energy: 1.3609126166395977
Energy: 1.04740470838537
Energy: 0.9304230234606686
Energy: 0.858014246851563
Energy: 0.9304230234662985
Energy: 0.8580142468521262
Energy: 0.9304230234623575
Energy: 0.8580142468521262
Energy: 0.827138899668874
Energy: 0.9156648337478115
Energy: 0.827138899668311
Energy: 0.9156648337483745
Energy: 0.827138899669437
Energy: 0.9156648337495006
Energy: 1.0815104110833569
Energy: 1.06634197118743
Energy: 1.0815104110844829
Energy: 1.0663419711879931
Energy: 1.081510411085046
Energy: 1.0663419711879931
Energy: 0.8517141494592969
Energy: 1.202640373502727
Energy: 0.8517141494587339
Energy: 1.2026403735021638
Energy: 0.8517141494587339
Energy: 1.2026403735021638
Energy: 0.8269471789350343
Energy: 0.8583355751361248
Energy: 0.8269471789367231
Energy: 0.8583355751355618
Energy: 0.8269471789355973
Energy: 0.8583355751349988
Energy: 0.8430310825277755
Energy: 0.891706038975402
Energy: 0.8430310825266495
Energy: 0.891706038975402
Energy: 0.8430310825272125
Energy: 0.8917060389759651
Energy: 0.929780797472143
Energy: 0.9589181296441004
Energy: 0.9297807974732689
Energy: 0.9589181296435375
Energy: 0.9297807974732689
Energy: 0.9589181296446634
Energy: 0.9215605306862507
Energy: 1.0450185485919834
Energy: 0.9215605306856877
Energy: 1.0450185485908574
Energy: 0.9215605306868134
Energy: 1.0450185485914203
Energy: 0.8136917909353109
Energy: 1.039970775267533
Energy: 0.8136917909358738
Energy: 1.0399707752686589
Energy: 0.813691790934185
Energy: 1.0399707752680958
Energy: 0.8260820767409329
Energy: 0.8567874313519832
Energy: 0.8260820767420591
Energy: 0.8567874313508571
Energy: 0.8260820767409329
Energy: 0.8567874313519832
Energy: 0.7923600854993663
Energy: 1.2173384399137268
Energy: 0.7923600854993663
Energy: 1.2173384399137268
Energy: 0.7923600854993663
Energy: 1.217338439915416
Energy: 1.0775677039645484
Energy: 1.063720251960128
Energy: 1.0775677039651113
Energy: 1.0637202519595654
Energy: 1.0775677039634224
Energy: 1.0637202519595654
Energy: 0.789385272046368
Energy: 1.0407730939156703
Energy: 0.7893852720441159
Energy: 1.0407730939156703
Energy: 0.789385272045242
Energy: 1.0407730939156703
Energy: 0.8417610241173096
Energy: 0.8564838760144023
Energy: 0.8417610241167464
Energy: 0.8564838760160914
Energy: 0.8417610241178726
Energy: 0.8564838760132764
Energy: 0.8694410919837657
Energy: 1.3088886620270925
Energy: 0.8694410919837657
Energy: 1.3088886620282185
Energy: 0.8694410919854547
Energy: 1.3088886620259663
Energy: 1.1068122262120903
Energy: 1.1334791200828624
Energy: 1.106812226213216
Energy: 1.1334791200828624
Energy: 1.1068122262126532
Energy: 1.1334791200828624
Energy: 0.9205063699357807
Energy: 1.0479791753303986
Energy: 0.9205063699357807
Energy: 1.0479791753287098
Energy: 0.9205063699357807
Energy: 1.0479791753270207
Energy: 0.8450630038189707
Energy: 1.0409269125295417
Energy: 0.8450630038206597
Energy: 1.0409269125284157
Energy: 0.8450630038178447
Energy: 1.0409269125295417
Energy: 1.2714978760330164
Energy: 1.5888913197028298
Energy: 1.2714978760341424
Energy: 1.5897479558993124
Energy: 1.2714978760324536
Energy: 1.5888913197028298
Energy: 0.9302168314602436
Energy: 0.8554101684372271
Energy: 0.9302168314624957
Energy: 0.8554101684372271
Energy: 0.9302168314613697
Energy: 0.8554101684366641
Energy: 0.7892347556643683
Energy: 1.0754908128228289
Energy: 0.7892347556649313
Energy: 1.0754908128250296
Energy: 0.7892347556649313
Energy: 1.0754908128222658
Energy: 0.7907093030593327
Energy: 1.0756668843993082
Energy: 0.7907093030582067
Energy: 1.0756668843976191
Energy: 0.7907093030593327
Energy: 1.07566688440156
Energy: 0.8505586289529933
Energy: 0.9211692605351707
Energy: 0.8505586289507414
Energy: 0.8518608670502092
Energy: 0.8505586289518673
Energy: 0.9211692605346078
Energy: 0.8268231740458376
Energy: 0.8554925005703709
Energy: 0.8268231740447116
Energy: 0.855492500569808
Energy: 0.8268231740458376
Energy: 0.8554925005703709
Energy: 0.8413911838372334
Energy: 0.9343870363451349
Energy: 0.8413911838366704
Energy: 0.9343870363456979
Energy: 0.8413911838372334
Energy: 0.934387036346824
Energy: 0.9205158900728986
Energy: 1.052359133602937
Energy: 0.9205158900734616
Energy: 1.052359133601811
Energy: 0.9205158900740247
Energy: 1.052359133602937
Energy: 1.2886117146259592
Energy: 0.8056901714546866
Energy: 1.2886117146259592
Energy: 0.8056901714546866
Energy: 1.2886117146265224
Energy: 0.8056901714546866
Energy: 0.8207345449659005
Energy: 1.0136955020044018
Energy: 0.8207345449659005
Energy: 1.0136955020038387
Energy: 0.8207345449664637
Energy: 1.0136955020032759
Energy: 0.8568059205480785
Energy: 0.8939057082240771
Energy: 0.8568059205475157
Energy: 0.8939057082240771
Energy: 0.8568059205480785
Energy: 0.8939057082235141
Energy: 0.7994656187695462
Energy: 1.0425343566716958
Energy: 0.7994656187695462
Energy: 1.0425343566711325
Energy: 0.7994656187689833
Energy: 1.0425343566722587

minimum gb energy = 0.7892347556643683 eV
minimum distance =  2.34438077382448 Angstroms
sigma value = 33


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

Energy: 1.0039831056432142
Energy: 0.9003728730307105
Energy: 1.0039831056404844
Energy: 0.9003728730275495
Energy: 1.003983105646016
Energy: 0.9003728730315007
Energy: 1.0266010987208276
Energy: 0.8610813785906599
Energy: 1.0266010988199652
Energy: 0.8610813785903008
Energy: 1.026601098742523
Energy: 0.8610813785903008
Energy: 1.2235964574091225
Energy: 1.2892370781981122
Energy: 1.223596457410272
Energy: 1.2892370782000517
Energy: 1.223596457409482
Energy: 1.289237078200842
Energy: 0.9332030780847763
Energy: 0.8869736135487304
Energy: 0.933203078087147
Energy: 0.8869736135487304
Energy: 0.9332030780859977
Energy: 0.8869736135487304
Energy: 0.9265361848779744
Energy: 0.8807078297047098
Energy: 0.926536184877615
Energy: 0.8807078297050691
Energy: 0.926536184877615
Energy: 0.8807078297015489
Energy: 1.231382266471085
Energy: 0.9219499141692253
Energy: 1.2313822664698635
Energy: 0.9219499141684351
Energy: 1.2313822664690732
Energy: 0.9219499141692253
Energy: 0.9108118876352953
Energy: 1.017793100721596
Energy: 0.9108118876360854
Energy: 1.0177931007220269
Energy: 0.9108118876352953
Energy: 1.017793100721596
Energy: 0.9691243340423581
Energy: 0.980420316907518
Energy: 0.9691243340439385
Energy: 0.9804203169090984
Energy: 0.9691243340442979
Energy: 0.9804203169000467
Energy: 1.4268954945168844
Energy: 0.9396454749169444
Energy: 1.4268954945164534
Energy: 0.9396454749185248
Energy: 1.4268954945160943
Energy: 0.9396454749185248
Energy: 1.2991517986576826
Energy: 0.8978633332901467
Energy: 1.2991517986545218
Energy: 0.8978633332905059
Energy: 1.2991517986576826
Energy: 0.8978633332905059
Energy: 0.9696388277628185
Energy: 0.9682517585413102
Energy: 0.9696388277616692
Energy: 0.9682517585416692
Energy: 0.9696388277624595
Energy: 0.9682517585413102
Energy: 1.1893258135721183
Energy: 0.8868082449763827
Energy: 1.1893258135800209
Energy: 0.8868082449775322
Energy: 1.1893258135780092
Energy: 0.8868082449771729
Energy: 0.9446142845570209
Energy: 0.9149687021897989
Energy: 0.944614284557811
Energy: 0.914968702186638
Energy: 0.944614284558242
Energy: 0.9149687021897989
Energy: 0.996359086375161
Energy: 0.9754264146571372
Energy: 0.9963590863735806
Energy: 0.975426414656347
Energy: 0.9963590863732213
Energy: 0.9754264146567779
Energy: 0.9831199572157329
Energy: 0.9096499506574661
Energy: 0.983119957216092
Energy: 0.9096499506562448
Energy: 0.9831199572153018
Energy: 0.9096499506578252
Energy: 0.9271106776609922
Energy: 1.237501332455881
Energy: 0.9271106776613512
Energy: 1.2375013324550908
Energy: 0.9271106776605611
Energy: 1.2375013324550908
Energy: 0.8868836045904667
Energy: 0.8801079715793144
Energy: 0.8868836045924062
Energy: 0.8801079715816851
Energy: 0.8868836045892453
Energy: 0.8801079715816851
Energy: 0.8812631945724985
Energy: 0.9326173514720447
Energy: 0.8812631945728576
Energy: 0.9326173514625619
Energy: 0.8812631945724985
Energy: 0.932617351466513
Energy: 1.2901354473459528
Energy: 1.214028323896172
Energy: 1.2901354473459528
Energy: 1.2140283238953817
Energy: 1.2901354473463122
Energy: 1.2140283238953817
Energy: 1.1694452146376526
Energy: 0.9401180011552707
Energy: 1.1694452146368626
Energy: 0.9401180011544804
Energy: 1.1694452146368626
Energy: 0.9401180011549115
Energy: 0.8808049958933442
Energy: 1.0127777856601474
Energy: 0.8808049958933442
Energy: 1.0127777856597164
Energy: 0.8808049958953557
Energy: 1.0127777856597164
Energy: 0.8561873987790399
Energy: 1.0284227862592288
Energy: 0.8561873987793993
Energy: 1.0284227862584385
Energy: 0.8561873987793993
Energy: 1.0284227862576483
Energy: 1.2242293583123347
Energy: 1.1688613035781001
Energy: 1.2242293583123347
Energy: 1.1688613035788904
Energy: 1.2242293583150645
Energy: 1.1688613035788904
Energy: 0.8795347674674266
Energy: 0.9340879687546519
Energy: 0.879534767467786
Energy: 0.9340879715725988
Energy: 0.8795347674666365
Energy: 0.9340879687672955
Energy: 0.8822665811124315
Energy: 0.8800009206198204
Energy: 0.8822665811222733
Energy: 0.8800009206237716
Energy: 0.8822665811112103
Energy: 0.8800009206229814
Energy: 0.9173937964706796
Energy: 1.2262986234941753
Energy: 0.9173937964702484
Energy: 1.2262986234941753
Energy: 0.9173937964698894
Energy: 1.2262986234953965
Energy: 1.0272525157749253
Energy: 0.9144341007765232
Energy: 1.0272525157737042
Energy: 0.9144341007769544
Energy: 1.0272525157752845
Energy: 0.9144341007769544
Energy: 0.9724337876071353
Energy: 0.879505817360431
Energy: 0.9724337876051239
Energy: 0.8795058173596407
Energy: 0.9724337876067044
Energy: 0.8795058173596407
Energy: 0.9386155898564633
Energy: 0.9150123656054061
Energy: 0.9386155898564633
Energy: 0.9150123656074177
Energy: 0.938615589855242
Energy: 0.915012365608567
Energy: 0.8936621658648876
Energy: 1.2940259605795756
Energy: 0.8936621658640974
Energy: 1.2940259605807252
Energy: 0.8936621658645283
Energy: 1.2940259605819462
Energy: 0.9329146559563138
Energy: 0.8785715827339482
Energy: 0.9329146559558826
Energy: 0.8785715827335892
Energy: 0.9329146559539432
Energy: 0.8785715827335892
Energy: 0.8794663281799229
Energy: 1.4558830036168637
Energy: 0.8794663281819343
Energy: 1.4558830036176538
Energy: 0.8794663281807131
Energy: 1.4558830036176538
Energy: 1.169094866979239
Energy: 0.9224924359952655
Energy: 1.1690948669800292
Energy: 0.9224924360011564
Energy: 1.1690948669796701
Energy: 0.922492436003527
Energy: 0.9707405798714058
Energy: 0.9885999346017637
Energy: 0.9707405798702563
Energy: 0.9885999346021227
Energy: 0.970740579872627
Energy: 0.9885999346009734
Energy: 0.9708285287470166
Energy: 0.9888001862057829
Energy: 0.9708285287473758
Energy: 0.9888001862061422
Energy: 0.9708285287473758
Energy: 0.9888001862057829
Energy: 1.1693335258821265
Energy: 0.9415846845314819
Energy: 1.1693335258833475
Energy: 0.9415846845303325
Energy: 1.1693335258829167
Energy: 0.9415846845319129
Energy: 0.8796900825369357
Energy: 1.1874011385569603
Energy: 0.8796900825357861
Energy: 1.1874011385573915
Energy: 0.8796900825385161
Energy: 1.1874011385569603
Energy: 0.9328643220373979
Energy: 0.8786120859612805
Energy: 0.932864322038188
Energy: 0.8786120859612805
Energy: 0.932864322038188
Energy: 0.8786120859608496
Energy: 0.8936500134522763
Energy: 1.29387738512024
Energy: 0.8936500134522763
Energy: 1.29387738512024
Energy: 0.8936500134522763
Energy: 1.2938773851194498
Energy: 0.9385469674766297
Energy: 0.914846465263676
Energy: 0.9385469674758394
Energy: 0.9148464652679862
Energy: 0.9385469674754804
Energy: 0.9148464652656155
Energy: 0.9724221490973226
Energy: 0.87953689295495
Energy: 0.9724221490976819
Energy: 0.8795368929553808
Energy: 0.9724221490965324
Energy: 0.8795368929569614
Energy: 1.0252246572762291
Energy: 0.9144678324980681
Energy: 1.0252246572758699
Energy: 0.9144678324988583
Energy: 1.0252246572778094
Energy: 0.9144678324977088
Energy: 0.9174004313445553
Energy: 1.2262512569361206
Energy: 0.9174004313434058
Energy: 1.2262512569361206
Energy: 0.917400431343765
Energy: 1.2262512569373416
Energy: 0.8825008064857999
Energy: 0.8802014716830165
Energy: 0.8825008064940612
Energy: 0.8802014716881171
Energy: 0.8825008064869492
Energy: 0.880201471681436
Energy: 0.8794013766619391
Energy: 0.9339281791571065
Energy: 0.8794013766630885
Energy: 0.9339281791433136
Energy: 0.8794013766627293
Energy: 0.9339281791599082
Energy: 1.2242308764370746
Energy: 1.1678237155951572
Energy: 1.2242308764362844
Energy: 1.1678237155967375
Energy: 1.2242308764370746
Energy: 1.1678237155959474
Energy: 0.856203816441416
Energy: 1.027892998068905
Energy: 0.8562038164417751
Energy: 1.0278929980701261
Energy: 0.8562038164409849
Energy: 1.0278929980677556

minimum gb energy = 0.8561873987790399 eV
minimum distance =  2.32632717078471 Angstroms
sigma value = 67


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

Energy: 1.0393508870558288
Energy: 0.9552783837767964
Energy: 1.0393508870558288
Energy: 0.9552783837767964
Energy: 1.0393508870558288
Energy: 0.9552783837767964
Energy: 1.0077764915921965
Energy: 0.9290392378385954
Energy: 1.0077764915921965
Energy: 0.9290392378385954
Energy: 1.0077764915921965
Energy: 0.9290392378385954
Energy: 1.2767458222660601
Energy: 1.20187937992224
Energy: 1.2767458222660601
Energy: 1.2018793799248806
Energy: 1.2767458222660601
Energy: 1.20187937992224
Energy: 1.0077109765035286
Energy: 0.928507717490282
Energy: 1.0077109765035286
Energy: 0.928507717490282
Energy: 1.0077109765035286
Energy: 0.928507717490282
Energy: 1.0393508870558288
Energy: 0.9552783837767964
Energy: 1.0393508870558288
Energy: 0.9552783837767964
Energy: 1.0393508870558288
Energy: 0.9552783837767964
Energy: 1.0077764915921965
Energy: 0.9290392378385954
Energy: 1.0077764915921965
Energy: 0.9290392378385954
Energy: 1.0077764915921965
Energy: 0.9290392378385954
Energy: 0.9344512801339167
Energy: 1.20187937992224
Energy: 0.9344512801339167
Energy: 1.20187937992224
Energy: 0.9344512801339167
Energy: 1.20187937992224

minimum gb energy = 0.928507717490282 eV
minimum distance =  2.33707659594689 Angstroms
sigma value = 3


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

Energy: 1.3454946615183982
Energy: 1.1306355860344024
Energy: 1.303157410053835
Energy: 1.1306355860344024
Energy: 1.3454946615183982
Energy: 1.1306355860344024
Energy: 1.1759210676043472
Energy: 1.0777484943519426
Energy: 1.1759210676043472
Energy: 1.077748494348349
Energy: 1.1759210676043472
Energy: 1.0777484943519426
Energy: 1.1937166612132337
Energy: 1.220356513156177
Energy: 1.1691048726327278
Energy: 1.220356513156177
Energy: 1.1937166612132337
Energy: 1.220356513156177
Energy: 1.2730576656620307
Energy: 1.0832970038662417
Energy: 1.2730576656620307
Energy: 1.0832970038662417
Energy: 1.2730576656620307
Energy: 1.0832970038662417
Energy: 1.173411295940004
Energy: 1.1875961215414275
Energy: 1.173411295940004
Energy: 1.1875961215414275
Energy: 1.173411295940004
Energy: 1.1875961215450208
Energy: 1.1078315603005775
Energy: 1.236810384171078
Energy: 1.1078315603005775
Energy: 1.236810384171078
Energy: 1.1078315603005775
Energy: 1.236810384171078
Energy: 1.217636562939627
Energy: 1.3725662454247183
Energy: 1.2179877751710113
Energy: 1.3725662454247183
Energy: 1.217636562939627
Energy: 1.3725662454247183
Energy: 1.2024648611810913
Energy: 1.1300513815708035
Energy: 1.2024648611846849
Energy: 1.1300513815708035
Energy: 1.2024648611846849
Energy: 1.157626185334521
Energy: 1.1245341183397808
Energy: 1.1543472026063355
Energy: 1.1245341183397808
Energy: 1.154347202609929
Energy: 1.1245341183397808
Energy: 1.154347202609929
Energy: 1.219498186626321
Energy: 1.2369320329127667
Energy: 1.219498186626321
Energy: 1.2369320329127667
Energy: 1.219498186626321
Energy: 1.2369320329127667
Energy: 1.176191795751282
Energy: 1.274539275765559
Energy: 1.176191795751282
Energy: 1.274539275765559
Energy: 1.176191795751282
Energy: 1.274539275765559
Energy: 1.1050873531610927
Energy: 1.2068394222927221
Energy: 1.1052649098044103
Energy: 1.2068394220771783
Energy: 1.1050873531610927
Energy: 1.2030195700447837
Energy: 1.1748865364464522
Energy: 1.1007221171837072
Energy: 1.1748865364464522
Energy: 1.1007221171873007
Energy: 1.174886536442859
Energy: 1.1007221171873007
Energy: 1.1748905810674757
Energy: 1.255829596335435
Energy: 1.1748905810638823
Energy: 1.255829596335435
Energy: 1.1748905810638823
Energy: 1.255829596335435
Energy: 1.3517103709239056
Energy: 1.1856760844975829
Energy: 1.3517103709274991
Energy: 1.1856760844975829
Energy: 1.3517103709239056
Energy: 1.1856760844975829
Energy: 1.2323710530683691
Energy: 1.1291452458218534
Energy: 1.2323710530683691
Energy: 1.129145245825447
Energy: 1.2323710530683691
Energy: 1.160729008648014
Energy: 1.2484049490152342
Energy: 1.1497087075585857
Energy: 1.2484049490188278
Energy: 1.1497087075585857
Energy: 1.2484049490152342
Energy: 1.1497087075585857
Energy: 1.0944526088606041
Energy: 1.2580428971253697
Energy: 1.0944526088606041
Energy: 1.2580428971253697
Energy: 1.0944526088606041
Energy: 1.2580428971253697
Energy: 1.334768603890226
Energy: 1.2094210851720926
Energy: 1.334768603890226
Energy: 1.2094210851720926
Energy: 1.334768603890226
Energy: 1.2094210851756861
Energy: 1.1059446468101761
Energy: 1.253665615861482
Energy: 1.1059446468065828
Energy: 1.253665615861482
Energy: 1.1059446468101761
Energy: 1.2536656158650759
Energy: 1.2199976194456321
Energy: 1.3135623991366925
Energy: 1.2200950026174715
Energy: 1.313562399140286
Energy: 1.2199974546423387
Energy: 1.313562399140286
Energy: 1.0740933869270466
Energy: 1.3189698255070443
Energy: 1.0742705594352577
Energy: 1.3189698255070443
Energy: 1.0740933869342335
Energy: 1.3189698255070443
Energy: 1.1103819022607508
Energy: 1.2377791019598872
Energy: 1.1103819022607508
Energy: 1.2377791019598872
Energy: 1.1103819022607508
Energy: 1.2377791019598872
Energy: 1.067237713127833
Energy: 1.189522955782147
Energy: 1.067237713127833
Energy: 1.189522955782147
Energy: 1.067237713127833
Energy: 1.189522955782147
Energy: 1.1980232477433868
Energy: 1.3136104090099496
Energy: 1.1980232477433868
Energy: 1.3136104090099496
Energy: 1.1980232477433868
Energy: 1.313610409006356
Energy: 1.1047255321458587
Energy: 1.2227338717162404
Energy: 1.1050468376053404
Energy: 1.2227338717162404
Energy: 1.1047255321494522
Energy: 1.2227338717162404
Energy: 1.2408210411985099
Energy: 1.2273288470386192
Energy: 1.2408210411949165
Energy: 1.2273288470386192
Energy: 1.2408210411985099
Energy: 1.2273288470422128
Energy: 1.1261127093676153
Energy: 1.1430859736565986
Energy: 1.1261127093676153
Energy: 1.1430859736565986
Energy: 1.1261127093676153
Energy: 1.1430859736565986
Energy: 1.1759161983825557
Energy: 1.149563182098314
Energy: 1.175916198378962
Energy: 1.149563182098314
Energy: 1.175916198378962
Energy: 1.149563182098314
Energy: 1.2910652086598264
Energy: 1.1139447014847417
Energy: 1.2462953946788247
Energy: 1.1139447014811483
Energy: 1.2910652086598264
Energy: 1.1139447014847417
Energy: 1.3816808985312514
Energy: 1.0772528808884685
Energy: 1.3366929156862561
Energy: 1.0772528808884685
Energy: 1.3816808985312514
Energy: 1.0772528808884685
Energy: 1.218489573086575
Energy: 1.0792025194852024
Energy: 1.218489573086575
Energy: 1.0792025194852024
Energy: 1.218489573086575
Energy: 1.0792025194852024
Energy: 1.2036906655895745
Energy: 1.1910160741732432
Energy: 1.2036906655895745
Energy: 1.1910160741732432
Energy: 1.2036906655895745
Energy: 1.1910160741732432
Energy: 1.250762617067679
Energy: 1.177282820600763
Energy: 1.2507626170712725
Energy: 1.1772828205971695
Energy: 1.250762617074866
Energy: 1.177282820600763
Energy: 1.1821875966222941
Energy: 1.208790686539069
Energy: 1.1821875966222941
Energy: 1.2087906865354754
Energy: 1.1821875966222941
Energy: 1.208790686539069
Energy: 1.2178435868242106
Energy: 1.2152342475735867
Energy: 1.2181961394137903
Energy: 1.2152342475735867
Energy: 1.217843584758869
Energy: 1.2152342475735867
Energy: 1.0659218741958096
Energy: 1.2269127676396514
Energy: 1.0645937868055235
Energy: 1.2269127676396514
Energy: 1.0659218741886227
Energy: 1.2269127676396514
Energy: 1.2890504155098712
Energy: 1.0831727769211295
Energy: 1.2890504155098712
Energy: 1.0831727768744144
Energy: 1.2890504155098712
Energy: 1.083172776910349
Energy: 1.073925366610861
Energy: 1.3296442844945726
Energy: 1.073925366610861
Energy: 1.329644284498166
Energy: 1.073925366610861
Energy: 1.3296442844945726
Energy: 1.2032676182835262
Energy: 1.2148382164751077
Energy: 1.2032676182835262
Energy: 1.214838216478701
Energy: 1.2032676182835262
Energy: 1.2148382164715141
Energy: 1.1062908312846311
Energy: 1.168816060216739
Energy: 1.106317883449241
Energy: 1.168815151054572
Energy: 1.1062908312882247
Energy: 1.1688170580089197
Energy: 1.3650651905696998
Energy: 1.058623864953033
Energy: 1.3650651905696998
Energy: 1.0586238649494395
Energy: 1.3650651905732931
Energy: 1.0586238649494395
Energy: 1.128457469453043
Energy: 1.2552015061856596
Energy: 1.128457469453043
Energy: 1.255201506189253
Energy: 1.1284574694566363
Energy: 1.2552015061856596
Energy: 1.1845865544202259
Energy: 1.0796936710205258
Energy: 1.1845865512486122
Energy: 1.0796936710205258
Energy: 1.1845865467587107
Energy: 1.0796936710205258
Energy: 1.2366560493484928
Energy: 1.13381675381545
Energy: 1.236656049341306
Energy: 1.13381675381545
Energy: 1.2366560493377123
Energy: 1.13381675381545
Energy: 1.3614701594827578
Energy: 1.1123391153850648
Energy: 1.3614701594791645
Energy: 1.1123391153886584
Energy: 1.3614701594827578
Energy: 1.1123391153886584
Energy: 1.213030092760444
Energy: 1.2144388012142169
Energy: 1.213039354390222
Energy: 1.2144388012142169
Energy: 1.213030092760444
Energy: 1.2144388012142169
Energy: 1.1365889736902988
Energy: 1.133855025676865
Energy: 1.1365889736902988
Energy: 1.1338550256804583
Energy: 1.1365889736902988
Energy: 1.1338550256517106
Energy: 1.1062079424744735
Energy: 1.1871876332130264
Energy: 1.1062079424708797
Energy: 1.1871876332094329
Energy: 1.1062079424744735
Energy: 1.1871876332130264
Energy: 1.2218592857172637
Energy: 1.2280549138038008
Energy: 1.22185928571367
Energy: 1.2280549138038008
Energy: 1.2218592857172637
Energy: 1.2280549138038008
Energy: 1.141638667310999
Energy: 1.193271186068211
Energy: 1.1418970036008973
Energy: 1.193271186068211
Energy: 1.141638667303812
Energy: 1.193271186068211

minimum gb energy = 1.0586238649494395 eV
minimum distance =  2.30534457246595 Angstroms
sigma value = 81


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

Energy: 1.1950875034992026
Energy: 1.1452304779942972
Energy: 1.1344934791874515
Energy: 1.1452304779942972
Energy: 1.1950875034992026
Energy: 1.1452304779947902
Energy: 1.1014825421781196
Energy: 1.160805883263301
Energy: 1.1014825421776264
Energy: 1.160805883263301
Energy: 1.1014825421776264
Energy: 1.1608058832618213
Energy: 1.3636780287906534
Energy: 1.2896820423516018
Energy: 1.290248761017979
Energy: 1.2896820423511086
Energy: 1.3636780287911465
Energy: 1.2896820423516018
Energy: 1.1212761716493052
Energy: 1.2234952486395074
Energy: 1.1212761716483188
Energy: 1.2234952486390143
Energy: 1.1212761716473325
Energy: 1.2234952486390143
Energy: 1.1616147845603733
Energy: 1.0411291819174882
Energy: 1.1616147845603733
Energy: 1.0411291819189679
Energy: 1.1616147845603733
Energy: 1.0411291819184745
Energy: 1.0839642949353236
Energy: 1.0371454633156123
Energy: 1.0839642949343373
Energy: 1.0371454633136394
Energy: 1.0839642949377897
Energy: 1.0371454633161055
Energy: 1.0045961492994469
Energy: 1.0427574971690694
Energy: 1.0045961492999402
Energy: 1.042757497168576
Energy: 1.0045961492994469
Energy: 1.0427574971695623
Energy: 1.1581703725239443
Energy: 1.1032438451922384
Energy: 1.1572167360131513
Energy: 1.1032438451927316
Energy: 1.1581703725239443
Energy: 1.1032438451922384
Energy: 1.3006208156838943
Energy: 1.1751885044677157
Energy: 1.300620815683401
Energy: 1.1751885044677157
Energy: 1.300620815683401
Energy: 1.1751885044677157
Energy: 1.2025217044679162
Energy: 1.4510374733183258
Energy: 1.202521704467423
Energy: 1.4510374733183258
Energy: 1.2025217044669296
Energy: 1.4510374733183258
Energy: 1.0988267362219852
Energy: 1.0626335973375882
Energy: 1.0988267362205058
Energy: 1.0626335973380816
Energy: 1.0988267362219852
Energy: 1.0626335973375882
Energy: 1.0378913720914413
Energy: 1.1459662062947935
Energy: 1.0378913720914413
Energy: 1.1459662062943003
Energy: 1.037891372090948
Energy: 1.1459662062947935
Energy: 1.1019981811527448
Energy: 1.1667777530811079
Energy: 1.1019981811522517
Energy: 1.1667777530806147
Energy: 1.1019981811522517
Energy: 1.1667777530806147
Energy: 1.1781880758043022
Energy: 1.286179926455677
Energy: 1.178188075803809
Energy: 1.2861799264551839
Energy: 1.178188075803809
Energy: 1.286179926455677
Energy: 1.366702720354275
Energy: 1.111415050235868
Energy: 1.3667027203552613
Energy: 1.111415050235868
Energy: 1.3667027203547681
Energy: 1.111415050235868
Energy: 1.1586545557448775
Energy: 1.0405989071138344
Energy: 1.1586545557443841
Energy: 1.0405989071138344
Energy: 1.1586545557453705
Energy: 1.0405989071143278
Energy: 1.149960106091224
Energy: 1.1393665086695726
Energy: 1.149960106091224
Energy: 1.1393665086690794
Energy: 1.1499601060917173
Energy: 1.1393665086695726
Energy: 1.0539248563400183
Energy: 1.1849127629355511
Energy: 1.0539162372294704
Energy: 1.1849127629355511
Energy: 1.0539248563405115
Energy: 1.1849127629360445
Energy: 1.2886683360932567
Energy: 1.075959701590358
Energy: 1.2886683360927635
Energy: 1.0759597016031814
Energy: 1.2886683360922702
Energy: 1.0759597015622457
Energy: 1.2216900357868516
Energy: 1.242299191984194
Energy: 1.2216900357863585
Energy: 1.242299191983701
Energy: 1.2216900357878382
Energy: 1.242299191984194
Energy: 1.0416269167710235
Energy: 1.1664181322879539
Energy: 1.0416269167710235
Energy: 1.1664181322879539
Energy: 1.0416269167715166
Energy: 1.166418132288447
Energy: 1.0983311644364273
Energy: 1.0645116557077083
Energy: 1.037450673453267
Energy: 1.0645116557077083
Energy: 1.0983311644364273
Energy: 1.0645116557072152
Energy: 1.0983226184968449
Energy: 1.0039266004744964
Energy: 1.0372309681964325
Energy: 1.003926600475976
Energy: 1.0983226184963517
Energy: 1.0039266004774556
Energy: 1.103350865767819
Energy: 1.1597058243924436
Energy: 1.1033508657673259
Energy: 1.1597058243919502
Energy: 1.1033508657668327
Energy: 1.1597058243919502
Energy: 1.176773365506782
Energy: 1.2979890762437076
Energy: 1.176773365506782
Energy: 1.2979890762432142
Energy: 1.176773365506782
Energy: 1.2979890762432142
Energy: 1.36808795617617
Energy: 1.3551911720559793
Energy: 1.3680879561741974
Energy: 1.3551911720564724
Energy: 1.3680879561751838
Energy: 1.3551911720564724
Energy: 1.0539397766635172
Energy: 1.1217699950620035
Energy: 1.0539397766635172
Energy: 1.1217699950620035
Energy: 1.0539397766639658
Energy: 1.1217699950620035
Energy: 1.1477655949072345
Energy: 1.1400415575679694
Energy: 1.1477655949072345
Energy: 1.140041557566983
Energy: 1.1477655949072345
Energy: 1.1400415575694491
Energy: 1.1755502307885668
Energy: 1.1031225740758608
Energy: 1.160920383733746
Energy: 1.1031225740748745
Energy: 1.1755502307875803
Energy: 1.1031225740753674
Energy: 1.2915472247505626
Energy: 1.0378079430781055
Energy: 1.2915472247505626
Energy: 1.0378079430751463
Energy: 1.2915472247505626
Energy: 1.0378079430771192
Energy: 1.2228829251642754
Energy: 1.3679468623729893
Energy: 1.2228829251637825
Energy: 1.3679468623759483
Energy: 1.222882925165262
Energy: 1.367946862374962
Energy: 1.040799338279003
Energy: 1.1599457952830967
Energy: 1.0407993382799896
Energy: 1.1599457952821104
Energy: 1.0407993382794962
Energy: 1.1599457952821104
Energy: 1.037787659704985
Energy: 1.1467260935548695
Energy: 1.037787659704985
Energy: 1.1467260935548695
Energy: 1.037787659704985
Energy: 1.1467260935548695
Energy: 1.0379562511291616
Energy: 1.0032406991519227
Energy: 1.0379562511286682
Energy: 1.0032406991524159
Energy: 1.0379562511286682
Energy: 1.003240699152909
Energy: 1.2450711081695462
Energy: 1.524438468016
Energy: 1.2451202208656824
Energy: 1.524438468016
Energy: 1.245071108169053
Energy: 1.5244384680155065
Energy: 1.2448510041893501
Energy: 1.2978641997469729
Energy: 1.244851004188857
Energy: 1.2978641997543707
Energy: 1.2448510041893501
Energy: 1.2978641997612756
Energy: 1.1743567043837184
Energy: 1.0402906503726177
Energy: 1.1743567043837184
Energy: 1.0402906503740974
Energy: 1.1743567043832253
Energy: 1.040290650375084
Energy: 1.064713951617724
Energy: 1.0430927900244111
Energy: 1.064713951617724
Energy: 1.043092790023918
Energy: 1.064713951617724
Energy: 1.043092790023918

minimum gb energy = 1.0032406991519227 eV
minimum distance =  2.35415429969785 Angstroms
sigma value = 43


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

Energy: 1.3411343661286
Energy: 1.150667385637215
Energy: 1.3411343661279942
Energy: 1.1506673856378205
Energy: 1.3411343661279942
Energy: 1.150667385637215
Energy: 1.1985659108766216
Energy: 1.0701935380311123
Energy: 1.198565910877227
Energy: 1.0701935380329295
Energy: 1.1985659108766216
Energy: 1.0701935380329295
Energy: 1.1358311839549733
Energy: 1.3857454655276429
Energy: 1.1358311839549733
Energy: 1.385745465527037
Energy: 1.1358311839543676
Energy: 1.3857454655276429
Energy: 1.321703470802252
Energy: 1.0911140554970706
Energy: 1.3217034708016464
Energy: 1.0911140554970706
Energy: 1.321703470802252
Energy: 1.0911140554964651
Energy: 1.1658905482635766
Energy: 1.1347030697773919
Energy: 1.165890548262971
Energy: 1.1347030697779978
Energy: 1.165890548262971
Energy: 1.1347030697779978
Energy: 1.1988814358216333
Energy: 1.1799764891167417
Energy: 1.1988814358222393
Energy: 1.1799764891173474
Energy: 1.1988814358222393
Energy: 1.1799764891167417
Energy: 1.1538139417721145
Energy: 1.281629316071344
Energy: 1.15381394177272
Energy: 1.281629316071344
Energy: 1.15381394177272
Energy: 1.281629316071344
Energy: 1.1210124812976063
Energy: 1.1900731325385256
Energy: 1.1210124812976063
Energy: 1.1900731325391316
Energy: 1.1210124812976063
Energy: 1.1900731325397376
Energy: 1.2394231992988805
Energy: 1.0399292795579878
Energy: 1.2394231992994864
Energy: 1.0399292795579878
Energy: 1.2394231992988805
Energy: 1.0399292795591992
Energy: 1.0861597568897263
Energy: 1.3248678866710053
Energy: 1.0861597568897263
Energy: 1.3248678866703996
Energy: 1.0861597568885146
Energy: 1.3248678866703996
Energy: 1.285130650840057
Energy: 1.0720101054218503
Energy: 1.285130650840057
Energy: 1.072010105422456
Energy: 1.2851306508394515
Energy: 1.0720101054218503
Energy: 1.1206400961414626
Energy: 1.1896975427112846
Energy: 1.120640096143886
Energy: 1.189697542718554
Energy: 1.1206400961402512
Energy: 1.1896975429147263
Energy: 1.2013989917699237
Energy: 1.1805158171576033
Energy: 1.201398991768712
Energy: 1.1805158171576033
Energy: 1.201398991765683
Energy: 1.1805158171563916
Energy: 1.0442197302239573
Energy: 1.3276358090090703
Energy: 1.0442197302245628
Energy: 1.3276358090090703
Energy: 1.0442197302239573
Energy: 1.3276358090096758
Energy: 1.1913152147709907
Energy: 1.2297421913912918
Energy: 1.1913152147709907
Energy: 1.2297421913918978
Energy: 1.1913152147703847
Energy: 1.2297421913912918
Energy: 1.25443894013302
Energy: 1.1778104012489943
Energy: 1.254438940133626
Energy: 1.1778104012483883
Energy: 1.254438940133626
Energy: 1.1778104012489943
Energy: 1.2095010719509718
Energy: 1.0710293290104187
Energy: 1.2095010719509718
Energy: 1.0710293290092068
Energy: 1.2095010719509718
Energy: 1.0710293290110242
Energy: 1.2967537780433753
Energy: 1.1317166511360555
Energy: 1.2967537780433753
Energy: 1.1317166511372672
Energy: 1.2967537780433753
Energy: 1.1317166511360555
Energy: 1.260098842099371
Energy: 1.0963016072190916
Energy: 1.260098842099371
Energy: 1.096301607220303
Energy: 1.260098842099371
Energy: 1.0963016072196972
Energy: 1.2095804511241828
Energy: 1.1794538857595125
Energy: 1.2095804511241828
Energy: 1.1794538857601184
Energy: 1.209580451123577
Energy: 1.1794538857595125
Energy: 1.1147677821630047
Energy: 1.2156174802816917
Energy: 1.1147677821630047
Energy: 1.2156174805390505
Energy: 1.1147677821630047
Energy: 1.2156174802253787
Energy: 1.2629871134817268
Energy: 1.1523118128339016
Energy: 1.2629871134817268
Energy: 1.1523118128339016
Energy: 1.2629871134817268
Energy: 1.1523118128339016
Energy: 1.0416135192771554
Energy: 1.223918238601506
Energy: 1.0416135192777611
Energy: 1.2239182386021117
Energy: 1.0416135192777611
Energy: 1.223918238601506
Energy: 1.200499357081465
Energy: 1.2865135848931264
Energy: 1.200499357081465
Energy: 1.2865135848919147
Energy: 1.200499357081465
Energy: 1.2865135848919147
Energy: 1.119492095413178
Energy: 1.2337342770260415
Energy: 1.119492095413178
Energy: 1.2337342770254356
Energy: 1.119492095413178
Energy: 1.2337342770254356
Energy: 1.2639721966997204
Energy: 1.1853316084437029
Energy: 1.2639721966985087
Energy: 1.1853316084437029
Energy: 1.2639721967003261
Energy: 1.1853316084437029
Energy: 1.1257591897793124
Energy: 1.2463710051178767
Energy: 1.1257591897799182
Energy: 1.2463710051178767
Energy: 1.1288376854167659
Energy: 1.2463710051184824
Energy: 1.2402585070255807
Energy: 1.1396353768417293
Energy: 1.2402585070255807
Energy: 1.1396353768423075
Energy: 1.2402585070261867
Energy: 1.1396353768411234
Energy: 1.119779554377022
Energy: 1.192899488471668
Energy: 1.119779554377022
Energy: 1.192899488471668
Energy: 1.119779554377022
Energy: 1.192899488471668
Energy: 1.183658208020527
Energy: 1.202390714592784
Energy: 1.183658208020527
Energy: 1.202390714592784
Energy: 1.183658208020527
Energy: 1.202390714592178
Energy: 1.2087078875856576
Energy: 1.1802873449487195
Energy: 1.2087078875856576
Energy: 1.1802873449487195
Energy: 1.2087078875856576
Energy: 1.1802873449487195

minimum gb energy = 1.0399292795579878 eV
minimum distance =  2.3441877035578 Angstroms
sigma value = 57


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

Energy: 1.2155510675991061
Energy: 1.0623343225489268
Energy: 1.2155510675998906
Energy: 1.0623343225481425
Energy: 1.2155510675991061
Energy: 1.0623343225473583
Energy: 1.1374606094097717
Energy: 1.0054302948275329
Energy: 1.1374606094089874
Energy: 1.0054302948283171
Energy: 1.1374606094089874
Energy: 1.0054302948283171
Energy: 1.1797934479249024
Energy: 1.2787590102413644
Energy: 1.179793447924118
Energy: 1.2787590102413644
Energy: 1.179793447924118
Energy: 1.27875901024058
Energy: 1.485867405878499
Energy: 1.1390124416832386
Energy: 1.4858674058769301
Energy: 1.1390124416832386
Energy: 1.4858674058777148
Energy: 1.1390124416832386
Energy: 1.1688366529810377
Energy: 1.2081762077422942
Energy: 1.1688366529818222
Energy: 1.2081762077422942
Energy: 1.1688366529818222
Energy: 1.2081762077399412
Energy: 1.1839726448459673
Energy: 1.135184309590854
Energy: 1.1839726448467516
Energy: 1.1351843095900698
Energy: 1.1839726448459673
Energy: 1.135184309590854
Energy: 1.155079111078482
Energy: 1.2130626369977346
Energy: 1.1550791110792662
Energy: 1.2130626369953814
Energy: 1.1550791110792662
Energy: 1.2130626369977346
Energy: 1.2165376294913952
Energy: 1.0710941824842293
Energy: 1.2165376294913952
Energy: 1.0710941824842293
Energy: 1.2165376294921795
Energy: 1.0710941824842293
Energy: 1.1434572944638572
Energy: 1.1123927315038893
Energy: 1.1434572944630728
Energy: 1.1123927315038893
Energy: 1.1434572944630728
Energy: 1.112392731503105
Energy: 0.998295578444661
Energy: 1.1428076015256958
Energy: 0.998295578444661
Energy: 1.1428076015249116
Energy: 0.9982955784438767
Energy: 1.1428076015241273
Energy: 1.1762426732908893
Energy: 1.141428256210007
Energy: 1.1762426732908893
Energy: 1.141428256210007
Energy: 1.1762426732908893
Energy: 1.141428256210007
Energy: 1.1662916795476173
Energy: 1.2085043048461601
Energy: 1.1662916795476173
Energy: 1.2085043048453754
Energy: 1.166291679550755
Energy: 1.2085043048453754
Energy: 1.1505957859515252
Energy: 1.1106050421625584
Energy: 1.1505957859507407
Energy: 1.1106050421625584
Energy: 1.1505957859499563
Energy: 1.110605042159421
Energy: 1.2384795243350444
Energy: 1.0136431611120285
Energy: 1.2384795243342597
Energy: 1.013643161112813
Energy: 1.2384795243350444
Energy: 1.013643161113597
Energy: 1.1406124816664145
Energy: 1.0655364586969978
Energy: 1.1406124816664145
Energy: 1.0655364586962135
Energy: 1.1406124816664145
Energy: 1.0655364586969978
Energy: 1.1546547595080086
Energy: 1.1109130013222939
Energy: 1.1546547595080086
Energy: 1.1109130013222939
Energy: 1.1546547595080086
Energy: 1.1109130013222939
Energy: 0.9976613338525511
Energy: 1.134244688910987
Energy: 0.9976613338525511
Energy: 1.134244688910987
Energy: 0.9976613338525511
Energy: 1.1342446889102022
Energy: 1.1714682932587392
Energy: 1.1529318468739553
Energy: 1.1714682932579552
Energy: 1.1529318468739553
Energy: 1.1714682932579552
Energy: 1.1529318468739553
Energy: 0.9975838188892273
Energy: 1.1342265485623486
Energy: 0.997583818888443
Energy: 1.1342265485623486
Energy: 0.9975838188892273
Energy: 1.1342265485615644
Energy: 1.1543797407783927
Energy: 1.1110420828067755
Energy: 1.1543797407791772
Energy: 1.111042082805991
Energy: 1.1543797407799614
Energy: 1.111042082805991
Energy: 1.1411148642553484
Energy: 1.065309615545344
Energy: 1.1411148642569173
Energy: 1.065309615545344
Energy: 1.141114864256133
Energy: 1.0653096155437751
Energy: 1.2383807299350749
Energy: 1.0611470752851404
Energy: 1.2383807299358591
Energy: 1.061147075284356
Energy: 1.2383807299350749
Energy: 1.0611470752851404
Energy: 1.150511102778847
Energy: 1.1098203950462635
Energy: 1.150511102778847
Energy: 1.109820395047048
Energy: 1.1505111027796315
Energy: 1.1098203950486167
Energy: 1.1660922125921807
Energy: 1.2082210555006159
Energy: 1.1660922125929647
Energy: 1.2082210554990471
Energy: 1.166092212591396
Energy: 1.2082210555014004

minimum gb energy = 0.997583818888443 eV
minimum distance =  2.32087764331556 Angstroms
sigma value = 17


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

Energy: 1.1467582773211835
Energy: 1.021578762256218
Energy: 1.1467582773211835
Energy: 1.021578762256218
Energy: 1.1467582773211835
Energy: 1.0215787622551085
Energy: 1.0163319167863718
Energy: 0.9695008627420275
Energy: 1.016331916783044
Energy: 0.9695008627420275
Energy: 1.0163319167841531
Energy: 0.9695008627431368
Energy: 1.0857345492451642
Energy: 1.152620997362336
Energy: 1.0857345492451642
Energy: 1.152620997362336
Energy: 1.0857345492462736
Energy: 1.1526209973612267
Energy: 1.0381760552429073
Energy: 1.0943184887596156
Energy: 1.0381760552440167
Energy: 1.0943184887596156
Energy: 1.0381760552440167
Energy: 1.094318488760725
Energy: 1.1111715917543037
Energy: 1.2288602785125529
Energy: 1.1111715917543037
Energy: 1.228860278513662
Energy: 1.1111715917531946
Energy: 1.2288602785125529
Energy: 1.0211039866478742
Energy: 1.114541859303207
Energy: 1.0211039866478742
Energy: 1.114541859303207
Energy: 1.0211039866467648
Energy: 1.114541859303207
Energy: 1.0603181504807262
Energy: 0.9725194245516345
Energy: 1.0603181504807262
Energy: 0.9725194245527439
Energy: 1.0603181504807262
Energy: 0.9725194245516345
Energy: 1.0379764840927312
Energy: 1.1215308456211723
Energy: 1.0379764840927312
Energy: 1.1215308456222817
Energy: 1.0379764840927312
Energy: 1.1215308456211723
Energy: 1.0525933227388544
Energy: 1.1451186687529737
Energy: 1.0525933227388544
Energy: 1.1451186687529737
Energy: 1.052593322737745
Energy: 1.1451186687529737
Energy: 1.0445588608796634
Energy: 0.9775383440079388
Energy: 1.0445588608796634
Energy: 0.9775383440079388
Energy: 1.0445588608796634
Energy: 0.9775383440079388
Energy: 1.0315252084593978
Energy: 1.113924635622922
Energy: 1.0315252084582884
Energy: 1.113924635622922
Energy: 1.0315252084582884
Energy: 1.113924635622922
Energy: 1.0870021065359445
Energy: 1.0908907914315378
Energy: 1.0870021065536934
Energy: 1.0908907914315378
Energy: 1.0870021065536934
Energy: 1.0908907914315378
Energy: 0.9141591389507759
Energy: 1.1123778786645175
Energy: 0.9141591389507759
Energy: 1.1123778786645175
Energy: 0.9141591389507759
Energy: 1.1123778786645175
Energy: 1.0435716831161619
Energy: 1.074100715407528
Energy: 1.0435716831150526
Energy: 1.0741007154086368
Energy: 1.0435716831150526
Energy: 1.0741007154086368
Energy: 1.0201794297143565
Energy: 1.2482393673199235
Energy: 1.0201794297143565
Energy: 1.2482393673199235
Energy: 1.0201794297154658
Energy: 1.2482393673199235
Energy: 1.0205587298430607
Energy: 1.3378143223532353
Energy: 1.02055872984417
Energy: 1.3378143223532353
Energy: 1.02055872984417
Energy: 1.3378143223532353
Energy: 1.0416881487534062
Energy: 1.0764353961217445
Energy: 1.0416881487534062
Energy: 1.0764353961217445
Energy: 1.0416881487534062
Energy: 1.0764353961228539

minimum gb energy = 0.9141591389507759 eV
minimum distance =  2.30980517539731 Angstroms
sigma value = 17


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

Energy: 1.0405388162207694
Energy: 0.923658577717454
Energy: 1.0405388162186273
Energy: 0.9236585777170255
Energy: 1.040538816220341
Energy: 0.9236585777165971
Energy: 0.9579084547846854
Energy: 0.8857819435466561
Energy: 0.9579084547799733
Energy: 0.8857819435466561
Energy: 0.9579084547748329
Energy: 0.8857819435466561
Energy: 1.0057858018866326
Energy: 0.9771090246550151
Energy: 1.005785801887061
Energy: 0.9771090246533015
Energy: 1.0057858018866326
Energy: 0.9771090246541583
Energy: 0.9618413797384727
Energy: 0.9503203822727933
Energy: 0.9618413797384727
Energy: 0.950320382272365
Energy: 0.9618413797384727
Energy: 0.9503203822727933
Energy: 1.2908875708999206
Energy: 1.031400420613149
Energy: 1.2908875708994922
Energy: 1.0314004206110072
Energy: 1.2908875708994922
Energy: 1.0314004206105787
Energy: 0.9655670381647576
Energy: 0.9014431679566237
Energy: 0.965567038165186
Energy: 0.9014431679566237
Energy: 0.965567038165186
Energy: 0.9014431679570521
Energy: 0.9382302653212559
Energy: 0.926917686038128
Energy: 0.9382302653216841
Energy: 0.9269176860376996
Energy: 0.9382302653221125
Energy: 0.9269176860368429
Energy: 1.0405872912988987
Energy: 1.1503930867611152
Energy: 1.0405872912988987
Energy: 1.1503930867602583
Energy: 1.040587291300184
Energy: 1.1503930867611152
Energy: 1.1128635327499754
Energy: 0.9884153757649192
Energy: 1.112863532749547
Energy: 0.9884153757636343
Energy: 1.112863532749547
Energy: 0.9884153757644909
Energy: 0.9362376926740326
Energy: 0.8407786485768736
Energy: 0.9362376926740326
Energy: 0.840778648577302
Energy: 0.936237692674461
Energy: 0.8407786485768736
Energy: 0.8567939325947337
Energy: 1.1228004153062756
Energy: 0.8567939325981606
Energy: 1.1228004153097026
Energy: 0.856793932597304
Energy: 1.1228004153109876
Energy: 1.0030156068710787
Energy: 1.08576591832844
Energy: 1.003015606871507
Energy: 1.0857659183280115
Energy: 1.003015606871507
Energy: 1.08576591832844
Energy: 0.9540602840711541
Energy: 0.9103305199587695
Energy: 0.9540602840702973
Energy: 0.9103305199754372
Energy: 0.9540602840707259
Energy: 0.9103305199664803
Energy: 0.93804686058306
Energy: 1.0169180676593714
Energy: 0.938046860584345
Energy: 1.016918067658943
Energy: 0.93804686058306
Energy: 1.016918067658943
Energy: 1.002833604074169
Energy: 1.0131914754110192
Energy: 1.0028336040733123
Energy: 1.0131914754105908
Energy: 1.0028336040745975
Energy: 1.0131914754110192
Energy: 0.8568634663591953
Energy: 1.1539576390561226
Energy: 0.8568634663617656
Energy: 1.1539576390565511
Energy: 0.8568634663609089
Energy: 1.1539576390561226
Energy: 0.9521873657515812
Energy: 0.9493447885846117
Energy: 0.9521873657515812
Energy: 0.94934478858504
Energy: 0.9521873657520097
Energy: 0.94934478858504
Energy: 0.9661704771309019
Energy: 1.147396695625832
Energy: 0.9661704771287599
Energy: 1.147396695625832
Energy: 0.9661704771326153
Energy: 1.147396695625832
Energy: 0.937413970506308
Energy: 1.3073235171778226
Energy: 0.9374139705058796
Energy: 1.3073235171778226
Energy: 0.9374139705058796
Energy: 1.307323517178251
Energy: 0.9510768350377822
Energy: 0.9384397234990108
Energy: 0.9510768350377822
Energy: 0.9384397234990108
Energy: 0.9510768350382106
Energy: 0.9435729861842423
Energy: 0.9376566735662405
Energy: 1.3072131518607941
Energy: 0.9376566735666688
Energy: 1.3072131518612227
Energy: 0.9376566735653836
Energy: 1.307213151861651
Energy: 0.9662503548273561
Energy: 1.1470877016060326
Energy: 0.9662503548264995
Energy: 1.1470877016060326
Energy: 0.9662503548269279
Energy: 1.1470877016064611
Energy: 0.9526503953722218
Energy: 0.9494717853511848
Energy: 0.9526503953722218
Energy: 0.9494717853511848
Energy: 0.952650395373507
Energy: 0.9494717853507564
Energy: 0.8563133572777337
Energy: 1.1542698290386635
Energy: 0.8563133572828743
Energy: 1.1542698290386635
Energy: 0.8563133572794472
Energy: 1.154269829038235
Energy: 1.002017803590388
Energy: 1.0135581815193346
Energy: 1.0020178035912446
Energy: 1.0135581815206198
Energy: 1.0020178035912446
Energy: 1.0135581815159076
Energy: 0.9470199896670789
Energy: 1.0166579116327625
Energy: 0.9470199896687923
Energy: 1.0166579116336194
Energy: 0.9470199896683638
Energy: 1.0166579116331909
Energy: 0.9541892389673408
Energy: 0.9100467709254692
Energy: 0.9541892389673408
Energy: 0.9100467709263258
Energy: 0.9541892389664842
Energy: 0.9100467709271826
Energy: 1.0031666043114238
Energy: 1.08628408449193
Energy: 1.0031666043114238
Energy: 1.0862840844970705
Energy: 1.0031666043109952
Energy: 1.0862840844923582
Energy: 0.8557154931789461
Energy: 1.1229513523934753
Energy: 0.8557154931785179
Energy: 1.1229513523921901
Energy: 0.8557154931785179
Energy: 1.122951352394332
Energy: 0.936631373298924
Energy: 0.9954954009081555
Energy: 0.936631373298924
Energy: 0.9954954009094407
Energy: 0.9366313732984956
Energy: 0.9954954009090122
Energy: 1.1128565754652195
Energy: 0.9877295719424072
Energy: 1.1128565754652195
Energy: 0.9877295719415504
Energy: 1.1128565754652195
Energy: 0.9877295719424072
Energy: 1.04039014443606
Energy: 1.1499755798567648
Energy: 1.040390144440772
Energy: 1.1499755798576217
Energy: 1.040390144435203
Energy: 1.1499755798567648
Energy: 0.9383354029413576
Energy: 0.9274664724614561
Energy: 0.9383354029383592
Energy: 0.9274664724618845
Energy: 0.9383354029396442
Energy: 0.9274664724614561
Energy: 0.9655680496723048
Energy: 0.9291691655215134
Energy: 0.9655680496718764
Energy: 0.9291691655219418
Energy: 0.9655680496723048
Energy: 0.9291691655227986
Energy: 1.2906727339187654
Energy: 1.0320123071683853
Energy: 1.2906727339183368
Energy: 1.0320123071666716
Energy: 1.2906727339183368
Energy: 1.0320123071671001
Energy: 0.9615157363505471
Energy: 0.9502781868358897
Energy: 0.9615157363505471
Energy: 0.9502781868354613
Energy: 0.9615157363505471
Energy: 0.9502781868354613
Energy: 1.0059739497333327
Energy: 0.9770144106500986
Energy: 1.005973949733761
Energy: 0.9770144106500986
Energy: 1.005973949733761
Energy: 0.9770144106492419
Energy: 0.9585213045879364
Energy: 0.8857562365609774
Energy: 0.9585213045870797
Energy: 0.8857562365605489
Energy: 0.9585213045892215
Energy: 0.8857562365605489
Energy: 1.0405388162186273
Energy: 0.9236585777178822
Energy: 1.0405388162181992
Energy: 0.9236585777165971
Energy: 1.0405388162194844
Energy: 0.923658577717454
Energy: 0.9579084548022486
Energy: 0.8857819435475129
Energy: 0.9579084548009635
Energy: 0.8857819435470846
Energy: 0.9579084548056758
Energy: 0.8857819435470846
Energy: 1.005785801887061
Energy: 0.9771090246545867
Energy: 1.0057858018866326
Energy: 0.9771090246545867
Energy: 1.0057858018866326
Energy: 0.9771090246545867
Energy: 0.9618413797393294
Energy: 0.9626402027080244
Energy: 0.9618413797389009
Energy: 0.962640202707596
Energy: 0.9618413797393294
Energy: 0.9626402027084526
Energy: 1.2908875708994922
Energy: 1.0314004206144343
Energy: 1.2908875708994922
Energy: 1.0314004206148626
Energy: 1.2908875709003491
Energy: 1.0314004206144343

minimum gb energy = 0.8407786485768736 eV
minimum distance =  2.29706683885021 Angstroms
sigma value = 57


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

Energy: 0.9547026652035369
Energy: 0.8550780562074062
Energy: 0.9547026652049319
Energy: 0.8550780562081036
Energy: 0.9547026652035369
Energy: 0.8550780562081036
Energy: 0.9692969048339933
Energy: 0.825276862099601
Energy: 0.9692969048353881
Energy: 0.825276862100996
Energy: 0.9692969048346909
Energy: 0.8252768621002985
Energy: 0.94545719737315
Energy: 0.8411928914670784
Energy: 0.9454571973724525
Energy: 0.8411928914670784
Energy: 0.9454571973738475
Energy: 0.841192891467776
Energy: 0.8988672764958155
Energy: 0.9015259658232105
Energy: 0.8988672764958155
Energy: 0.9015259658232105
Energy: 0.8988672764965131
Energy: 0.9015259658218157
Energy: 1.1609936276446364
Energy: 0.7807327904750702
Energy: 1.160993627646729
Energy: 0.7807327904743727
Energy: 1.1609936276446364
Energy: 0.7807327904757677
Energy: 0.902812485742577
Energy: 0.8405192756384933
Energy: 0.902812485742577
Energy: 0.8405192756377958
Energy: 0.902812485742577
Energy: 0.8405192756384933
Energy: 1.0673555637235834
Energy: 1.0140398658925565
Energy: 1.0673555637235834
Energy: 1.0140398658932541
Energy: 1.0673555637235834
Energy: 1.0140398658932541
Energy: 1.061517655765948
Energy: 1.100895705127741
Energy: 1.0615176557666457
Energy: 1.1008957051270436
Energy: 1.0615176557666457
Energy: 1.1008957051270436
Energy: 0.9796294081970659
Energy: 0.8427303464907894
Energy: 0.9796294081963685
Energy: 0.8427303464886969
Energy: 0.9796294081963685
Energy: 0.8427303464886969
Energy: 0.8604926089821731
Energy: 0.8576602079861079
Energy: 0.860492608987753
Energy: 0.8576602079861079
Energy: 0.8604926089856605
Energy: 0.8576602079861079
Energy: 1.0630108742174085
Energy: 1.0740512547435677
Energy: 1.0630108742215936
Energy: 1.0740512547428702
Energy: 1.0630108742188036
Energy: 1.0740512547428702
Energy: 0.8685983995022462
Energy: 0.8030686030189431
Energy: 0.8685983995029437
Energy: 0.8030686030224307
Energy: 0.8685983995022462
Energy: 0.8030686030119681
Energy: 0.8589157223161377
Energy: 0.9647900893511869
Energy: 0.8589157223147426
Energy: 0.9647900893511869
Energy: 0.8589157223147426
Energy: 0.9647900893504894
Energy: 0.807107836981574
Energy: 1.004581180922532
Energy: 0.807107836980179
Energy: 1.004581180922532
Energy: 0.807107836980179
Energy: 1.004581180922532
Energy: 0.9293371795233414
Energy: 0.9476929942659879
Energy: 0.9293371795233414
Energy: 0.9476929942638954
Energy: 0.9293371795233414
Energy: 0.9476929942645929
Energy: 0.8592907149540939
Energy: 0.9995340535717613
Energy: 0.8592907149547915
Energy: 0.9995340535717613
Energy: 0.8592907149533965
Energy: 0.9995340535717613
Energy: 0.8696594291160965
Energy: 0.9663264452139624
Energy: 0.8696594291133065
Energy: 0.9663264452139624
Energy: 0.869659429114004
Energy: 0.9663264452139624
Energy: 0.921539172259208
Energy: 0.9417338205410271
Energy: 0.9215391722599056
Energy: 0.9417338205403296
Energy: 0.9215391722585106
Energy: 0.9417338205403296
Energy: 0.8557868418839936
Energy: 1.0227340450778692
Energy: 0.8557868418839936
Energy: 1.0227340450785667
Energy: 0.8557868418832961
Energy: 1.0227340450785667
Energy: 0.8099497702486657
Energy: 0.9044525131601044
Energy: 0.8099497702486657
Energy: 0.9044525131621969
Energy: 0.8099497702479682
Energy: 0.9044525131614993
Energy: 0.8935590497932927
Energy: 1.083419593489806
Energy: 0.8935590497918977
Energy: 1.0834195934905035
Energy: 0.8935590497918977
Energy: 1.0834195934891087
Energy: 0.799719826111573
Energy: 1.2049094856507758
Energy: 0.799719826111573
Energy: 1.2049094856500784
Energy: 0.7997198261108754
Energy: 1.2049094856500784
Energy: 0.8811606194100846
Energy: 0.8707163890513443
Energy: 0.8811606194100846
Energy: 0.8707163890520417
Energy: 0.8811606194100846
Energy: 0.8707163890527393
Energy: 0.8680564951351016
Energy: 1.0264592588764694
Energy: 0.8680564951344041
Energy: 1.0264592588771668
Energy: 0.8680564951344041
Energy: 1.0264592588778643
Energy: 0.8763729972778505
Energy: 1.0816143079405958
Energy: 0.8763729972771531
Energy: 1.0816143079398983
Energy: 0.8763729972771531
Energy: 1.0816143079405958
Energy: 0.856477295076984
Energy: 0.8693213202756555
Energy: 0.8564772950776814
Energy: 0.8693213202756555
Energy: 0.856477295076984
Energy: 0.869321320276353
Energy: 0.7955715720260215
Energy: 1.0226899843930946
Energy: 0.7955715720260215
Energy: 1.0226899843930946
Energy: 0.7955715720260215
Energy: 1.0226899843930946

minimum gb energy = 0.7807327904743727 eV
minimum distance =  2.29422566457935 Angstroms
sigma value = 43


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

Energy: 1.055989152574916
Energy: 0.7792486183090733
Energy: 1.055989152574916
Energy: 0.7792486183080568
Energy: 1.0559891525759326
Energy: 0.7792486183055158
Energy: 0.850559262178703
Energy: 0.7636857573752708
Energy: 0.8505592621781948
Energy: 0.7636857573854346
Energy: 0.850559262178703
Energy: 0.7636857573854346
Energy: 0.8272905455588813
Energy: 0.8550594063870064
Energy: 0.8272905455583732
Energy: 0.8550594063854818
Energy: 0.8272905455583732
Energy: 0.8550594063864982
Energy: 0.9987499146417348
Energy: 0.7953100602371278
Energy: 0.998749914642243
Energy: 0.7953100602371278
Energy: 0.9987499146412265
Energy: 0.7953100602371278
Energy: 0.9847893664123566
Energy: 0.7493090818402308
Energy: 0.9847893664123566
Energy: 0.7493090818417554
Energy: 0.9847893664118486
Energy: 0.7493090818412472
Energy: 0.7800881587645937
Energy: 0.7621086795540738
Energy: 0.7800881587640854
Energy: 0.7621086795540738
Energy: 0.7800881587640854
Energy: 0.7621086795545818
Energy: 0.9601681861948183
Energy: 0.8643353250177902
Energy: 0.9601681861943102
Energy: 0.8643353250177902
Energy: 0.9601681861948183
Energy: 0.8643353250188066
Energy: 1.0136453755455466
Energy: 0.826011698629835
Energy: 1.0136453755455466
Energy: 0.826011698629835
Energy: 1.0136453755450383
Energy: 0.8260116986288187
Energy: 0.7438484053271212
Energy: 0.7482901884456502
Energy: 0.7438484053276294
Energy: 0.748290188445142
Energy: 0.7438484053271212
Energy: 0.7482901884456502
Energy: 0.8571863673151395
Energy: 0.8349073754933257
Energy: 0.8571863673151395
Energy: 0.8349073754943421
Energy: 0.8571863673146315
Energy: 0.8349073754933257
Energy: 0.9269279285294678
Energy: 0.9136197018398349
Energy: 0.9269279285294678
Energy: 0.9136197018393264
Energy: 0.9269279285289594
Energy: 0.9136197018398349
Energy: 0.7174582737911657
Energy: 0.8339039111091275
Energy: 0.7174582737916738
Energy: 0.8339039111091275
Energy: 0.7174582737916738
Energy: 0.8339039111091275
Energy: 0.8561798709316242
Energy: 0.7073792523216601
Energy: 0.8561798709306078
Energy: 0.7073792523206438
Energy: 0.8561798709311161
Energy: 0.707379252321152
Energy: 0.9219431793547624
Energy: 0.9062541715705349
Energy: 0.9219431793547624
Energy: 0.906254171571043
Energy: 0.9219431793552707
Energy: 0.9062541715705349
Energy: 0.8281050450830651
Energy: 0.8350423493831608
Energy: 0.8281050450830651
Energy: 0.8350423493836692
Energy: 0.8281050450830651
Energy: 0.8350423493826528
Energy: 0.8773974645371688
Energy: 0.777187482603505
Energy: 0.8773974645371688
Energy: 0.7771874826045214
Energy: 0.8773974645376771
Energy: 0.7771874826040132
Energy: 0.9372395253569501
Energy: 0.8147191659439693
Energy: 0.9372395253574581
Energy: 0.8147191659439693
Energy: 0.9372395253564418
Energy: 0.8147191659444775
Energy: 0.7549069148860157
Energy: 0.7111933881334054
Energy: 0.7549069148855074
Energy: 0.7111933881323891
Energy: 0.7549069148865238
Energy: 0.7111933881344219
Energy: 0.7431793115587695
Energy: 0.8201440330920866
Energy: 0.7431793115592776
Energy: 0.8201440330931031
Energy: 0.7431793115592776
Energy: 0.8201440330931031
Energy: 0.757364300752466
Energy: 0.9705586100567967
Energy: 0.757364300752974
Energy: 0.9705586100573049
Energy: 0.757364300752466
Energy: 0.9705586100573049
Energy: 0.8148624171065224
Energy: 0.7621706161350216
Energy: 0.8148624171070304
Energy: 0.7621706161268904
Energy: 0.8148624171070304
Energy: 0.7621706161304478
Energy: 0.7853273033408854
Energy: 0.8775752057768903
Energy: 0.7853273033388526
Energy: 0.8775752057773986
Energy: 0.7853273033393607
Energy: 0.8775752057773986
Energy: 0.7816778723546425
Energy: 0.8414871578886105
Energy: 0.7816778723521014
Energy: 0.8414871578886105
Energy: 0.7816778723531178
Energy: 0.8414871578886105
Energy: 0.8855924531773505
Energy: 0.8901302520407106
Energy: 0.8855924531768423
Energy: 0.890130252041219
Energy: 0.8855924531773505
Energy: 0.8901302520422354
Energy: 0.8160248217724243
Energy: 0.8273134572498726
Energy: 0.8160248217734407
Energy: 0.8273134572498726
Energy: 0.816024821773949
Energy: 0.8273134572559708
Energy: 0.7178338258414435
Energy: 0.7951098743698265
Energy: 0.717833825839919
Energy: 0.7951098743698265
Energy: 0.717833825839919
Energy: 0.7951098743698265
Energy: 0.7543517139755138
Energy: 0.9584153930624572
Energy: 0.7543517139755138
Energy: 0.9584153930629653
Energy: 0.7543517139755138
Energy: 0.9584153930634736
Energy: 0.7159079428396069
Energy: 0.8205271303404735
Energy: 0.7159079428385904
Energy: 0.8205271303409819
Energy: 0.7159079428385904
Energy: 0.8205271303404735
Energy: 0.7421342810488039
Energy: 0.7468178338365711
Energy: 0.7421342810467711
Energy: 0.7468178338365711
Energy: 0.7421342810467711
Energy: 0.7468178338365711
Energy: 0.7357782738057186
Energy: 0.9283040342242844
Energy: 0.735778273804194
Energy: 0.9283040342242844
Energy: 0.7357782738052103
Energy: 0.9283040342237764
Energy: 0.7147577562566807
Energy: 1.032280765557621
Energy: 0.714757756257697
Energy: 1.032280765557113
Energy: 0.7147577562571888
Energy: 1.032280765557113
Energy: 0.7425097538878014
Energy: 0.7259295025540842
Energy: 0.7425097538867851
Energy: 0.7259295025540842
Energy: 0.7425097538878014
Energy: 0.7259295025540842
Energy: 0.7145279082953434
Energy: 0.826823604917688
Energy: 0.7145279082953434
Energy: 0.8268236049181962
Energy: 0.7145279082963598
Energy: 0.8268236049181962
Energy: 0.9255936258497064
Energy: 0.924697231861616
Energy: 0.9255936258497064
Energy: 0.9246972318611077
Energy: 0.9255936258497064
Energy: 0.9246972318605996
Energy: 0.7816081983666227
Energy: 0.8057559238818375
Energy: 0.774061260450005
Energy: 0.8057559238818375
Energy: 0.7816081983666227
Energy: 0.8057559238818375
Energy: 0.6630613104613646
Energy: 0.8257591337584964
Energy: 0.6630613104608565
Energy: 0.8257591337584964
Energy: 0.6630613104618729
Energy: 0.82575913375748

minimum gb energy = 0.6630613104608565 eV
minimum distance =  2.29251525830431 Angstroms
sigma value = 81


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

Energy: 0.04608395730695335
Energy: 0.09949746065004367
Energy: 0.04608395730695335
Energy: 0.09949746065004367
Energy: 0.04608395730695335
Energy: 0.0994974606519109
Energy: 0.5314274606136785
Energy: 0.04694133207527579
Energy: 0.5314274606136785
Energy: 0.0469413311924571
Energy: 0.5314274606136785
Energy: 0.046941329109560094
Energy: 0.5314397658312398
Energy: 0.04685490361732707
Energy: 0.5314397658312398
Energy: 0.04685490087185984
Energy: 0.5314397658312398
Energy: 0.046854925123890105
Energy: 0.04608395730695335
Energy: 0.0994974606519109
Energy: 0.04608395730695335
Energy: 0.0994974606519109
Energy: 0.04608395730695335
Energy: 0.0994974606519109
Energy: 0.5314274606136785
Energy: 0.04694132922155156
Energy: 0.5314274606136785
Energy: 0.046941331323120894
Energy: 0.5314274606136785
Energy: 0.04694133296369616
Energy: 0.5314397658312398
Energy: 0.04685489607146166
Energy: 0.5314397658312398
Energy: 0.04685489840630764
Energy: 0.5314397658312398
Energy: 0.04685489339130511
Energy: 0.04608395730695335
Energy: 0.0994974606519109
Energy: 0.04608395730695335
Energy: 0.0994974606519109
Energy: 0.04608395730695335
Energy: 0.0994974606519109
Energy: 0.5314274606136785
Energy: 0.046941328639229875
Energy: 0.5314274606155459
Energy: 0.0469413314201745
Energy: 0.5314274606155459
Energy: 0.046941331082332866
Energy: 0.5314397658312398
Energy: 0.046854902529197766
Energy: 0.5314397658312398
Energy: 0.04685491178094912
Energy: 0.5314397658312398
Energy: 0.04685494092856395
Energy: 0.04608395730695335
Energy: 0.0994974606519109
Energy: 0.04608395730695335
Energy: 0.0994974606519109
Energy: 0.04608395730695335
Energy: 0.0994974606519109

minimum gb energy = 0.04608395730695335 eV
minimum distance =  2.46649663000868 Angstroms
sigma value = 3


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

Energy: 0.9096944055876736
Energy: 0.7346400384554618
Energy: 0.9096944055859975
Energy: 0.7346400384560204
Energy: 0.9096944055876736
Energy: 0.7346400384554618
Energy: 0.7596848029090124
Energy: 0.7545122535041578
Energy: 0.7596848029084536
Energy: 0.7545122535047166
Energy: 0.7596848029090124
Energy: 0.7545122535058341
Energy: 0.78177104828592
Energy: 0.7528368363703312
Energy: 0.7817710482848025
Energy: 0.7528368363703312
Energy: 0.7817710482853613
Energy: 0.7528368363692136
Energy: 0.8591421532849502
Energy: 0.7687260780421327
Energy: 0.8591421532838327
Energy: 0.7687260769362168
Energy: 0.8591421532843914
Energy: 0.7687260781945765
Energy: 0.6416690977987191
Energy: 0.7556778851571109
Energy: 0.6416690978003953
Energy: 0.7556778847823256
Energy: 0.6416690978003953
Energy: 0.7556778802766743
Energy: 0.7858740232601775
Energy: 0.7938269060563757
Energy: 0.7858740232596187
Energy: 0.7938269060552582
Energy: 0.7858740232601775
Energy: 0.7938269060563757
Energy: 0.8105828799459189
Energy: 0.8375028631679693
Energy: 0.8105828799464778
Energy: 0.8375028631679693
Energy: 0.8105828799459189
Energy: 0.8375028631662931
Energy: 0.6458010567932944
Energy: 0.7680583224880985
Energy: 0.645801056794412
Energy: 0.7680583224880985
Energy: 0.6458010567927357
Energy: 0.7680583224875398
Energy: 0.7884512967739169
Energy: 0.7982433167559482
Energy: 0.7884512967739169
Energy: 0.7982433167648886
Energy: 0.7884512967739169
Energy: 0.7982433167693589
Energy: 0.7373219430873442
Energy: 0.7830067497336483
Energy: 0.7373219430884618
Energy: 0.783006749734207
Energy: 0.7373219430873442
Energy: 0.7830067497347658
Energy: 0.8139161778153808
Energy: 0.7559696893448232
Energy: 0.8139161778164983
Energy: 0.7559696893464997
Energy: 0.8139161778159395
Energy: 0.7559696893459409
Energy: 0.8177999254148395
Energy: 0.8324308951620725
Energy: 0.8177999254148395
Energy: 0.8324308951615138
Energy: 0.8177999254148395
Energy: 0.8324308951626314
Energy: 0.7581675928235742
Energy: 0.7588276827283977
Energy: 0.7581675928218977
Energy: 0.7588276827283977
Energy: 0.7581675928185452
Energy: 0.7588276827283977
Energy: 0.8015933797346448
Energy: 0.8172148348179675
Energy: 0.8015933797368799
Energy: 0.8172148348179675
Energy: 0.8015933797385563
Energy: 0.817214834819085
Energy: 0.7902420563807453
Energy: 0.801286577503553
Energy: 0.7902420563818628
Energy: 0.8012865775029943
Energy: 0.7902420563818628
Energy: 0.801286577503553
Energy: 0.7610384620829256
Energy: 0.7952320582701954
Energy: 0.7610384620840431
Energy: 0.7952320582701954
Energy: 0.7610384620840431
Energy: 0.7952320582696366
Energy: 0.7438905916075002
Energy: 0.8444412379078302
Energy: 0.7438905916075002
Energy: 0.8444412379083889
Energy: 0.7438905916075002
Energy: 0.8444412379095064
Energy: 0.7581903528240183
Energy: 0.7739425935028669
Energy: 0.7581903528229006
Energy: 0.773942593502308
Energy: 0.7581903528223419
Energy: 0.773942593502308
Energy: 0.7964768128353388
Energy: 0.8599571627758545
Energy: 0.7964768128353388
Energy: 0.8599571627719431
Energy: 0.7964768128358976
Energy: 0.859957162774737
Energy: 0.757830652977025
Energy: 0.9003108771126775
Energy: 0.7578306529742311
Energy: 0.9003108771126775
Energy: 0.7578306529753487
Energy: 0.9003108771126775
Energy: 0.7934112791478104
Energy: 0.7585094730205246
Energy: 0.7934112818259141
Energy: 0.7585094730216423
Energy: 0.7934112798559806
Energy: 0.7585094730199659
Energy: 0.7861863422196264
Energy: 0.7431891849934436
Energy: 0.7861863422190676
Energy: 0.7431891849934436
Energy: 0.7861863422190676
Energy: 0.7431891849940023
Energy: 0.7486429489126439
Energy: 0.7831180783971984
Energy: 0.7486414663136686
Energy: 0.783118078398316
Energy: 0.7486442533763951
Energy: 0.783118078398316
Energy: 0.8353624966735068
Energy: 0.7363050654188794
Energy: 0.8353624966695956
Energy: 0.7363050654188794
Energy: 0.8353624966723894
Energy: 0.7363050654188794
Energy: 0.7967402571887601
Energy: 0.7754117528081111
Energy: 0.7967402571893188
Energy: 0.7754117528081111
Energy: 0.7967402571904365
Energy: 0.7754117528148164
Energy: 0.7384247561236201
Energy: 0.7938931125795166
Energy: 0.7384247561247376
Energy: 0.7938931125242488
Energy: 0.7384247561247376
Energy: 0.7938931124918399
Energy: 0.8784753303496695
Energy: 0.6595971790885182
Energy: 0.8784753303502284
Energy: 0.6595971790885182
Energy: 0.8784753303496695
Energy: 0.6595971790879595
Energy: 0.8102022962718829
Energy: 0.792308628999382
Energy: 0.8102022962724418
Energy: 0.7923086290010583
Energy: 0.8102022962718829
Energy: 0.792308628999382
Energy: 0.7023314632170524
Energy: 0.755195418087456
Energy: 0.7023314632176113
Energy: 0.7551954180813095
Energy: 0.7023314632181701
Energy: 0.7551954180813095
Energy: 0.8704419007224999
Energy: 0.710431471762159
Energy: 0.8704419007230588
Energy: 0.7104314717616003
Energy: 0.8704419007241764
Energy: 0.7104314717604827
Energy: 0.8030215744368135
Energy: 0.7900316221494397
Energy: 0.8030215744373723
Energy: 0.7900316221488809
Energy: 0.8030215744362548
Energy: 0.7900316221488809
Energy: 0.7819634961429434
Energy: 0.7431342855676952
Energy: 0.7819634961429434
Energy: 0.7431342855665777
Energy: 0.7819634961429434
Energy: 0.7431342855604312
Energy: 0.8082845396293775
Energy: 0.7467098972863595
Energy: 0.8082845396304951
Energy: 0.7467098972835657
Energy: 0.8082845396304951
Energy: 0.7467098972869183

minimum gb energy = 0.6416690977987191 eV
minimum distance =  2.34047942451843 Angstroms
sigma value = 67


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

Energy: 1.0668608805550925
Energy: 0.9094412087010537
Energy: 1.0668608805558886
Energy: 0.9094412087002577
Energy: 1.0668608805558886
Energy: 0.9094412087026462
Energy: 0.9067285940745445
Energy: 0.9421936898820842
Energy: 0.906728594076137
Energy: 0.9421936898828803
Energy: 0.9067285940753409
Energy: 0.9421936898812878
Energy: 0.9828179656635267
Energy: 0.9365075811241063
Energy: 0.9828179656635267
Energy: 0.9365075811225139
Energy: 0.9828179656635267
Energy: 0.9365075811217177
Energy: 1.0065052326999986
Energy: 0.9044798975749994
Energy: 1.0065052326992023
Energy: 0.9044798975749994
Energy: 1.0065052326999986
Energy: 0.9044798975749994
Energy: 0.7844559709233233
Energy: 0.8923475732681826
Energy: 0.7844559709233233
Energy: 0.8923475732681826
Energy: 0.7844559709225271
Energy: 0.8923475732689787
Energy: 0.982411976049379
Energy: 0.9832447932773772
Energy: 0.9824119760485829
Energy: 0.9832447932781734
Energy: 0.9824119760485829
Energy: 0.9832447932773772
Energy: 0.9113911600623258
Energy: 0.9888272372703305
Energy: 0.9113911600615298
Energy: 0.9888272372703305
Energy: 0.9113911600615298
Energy: 0.9888272372703305
Energy: 1.0314046924008993
Energy: 0.8931664220442571
Energy: 1.0314046924008993
Energy: 0.8931664220434611
Energy: 1.0314046924024916
Energy: 0.8931664220442571
Energy: 1.0149086736769868
Energy: 1.018221027793294
Energy: 1.014908673677783
Energy: 1.01822102779409
Energy: 1.014908673678579
Energy: 1.018221027793294
Energy: 0.9123499930325886
Energy: 0.9627012178511211
Energy: 0.9123499930317923
Energy: 0.9627012178503249
Energy: 0.9123499930317923
Energy: 0.9627012178503249
Energy: 0.916320820504937
Energy: 0.9831534625429658
Energy: 0.916320820504937
Energy: 0.9831534625429658
Energy: 0.9163208205041409
Energy: 0.9831534625429658
Energy: 0.9087114075253931
Energy: 0.9700598175528924
Energy: 0.9087114075269855
Energy: 0.9700598175536888
Energy: 0.9087114075277816
Energy: 0.9700598175536888
Energy: 0.9824849587170051
Energy: 1.0141585361353809
Energy: 0.9824849587170051
Energy: 1.0141585361353809
Energy: 0.9824849587185975
Energy: 1.0141585361361771
Energy: 0.8974248137741688
Energy: 1.0215843811755663
Energy: 0.8974248137741688
Energy: 1.0215843811755663
Energy: 0.8974248137741688
Energy: 1.0215843811779548
Energy: 0.9215564594059957
Energy: 0.9149761918921814
Energy: 0.9215564594059957
Energy: 0.9149761918929776
Energy: 0.9215564594059957
Energy: 0.9149761918929776
Energy: 0.9175578476354479
Energy: 0.9374540250936202
Energy: 0.9175578476410213
Energy: 0.9374540250936202
Energy: 0.9175578476457986
Energy: 0.9374540250944163
Energy: 0.9261135280989393
Energy: 1.0122411290258964
Energy: 0.9261135280997357
Energy: 1.0122411290266926
Energy: 0.9261135280997357
Energy: 1.0122411290266926
Energy: 0.9506883597457628
Energy: 0.8918869144606805
Energy: 0.9506883597457628
Energy: 0.8918869144614767
Energy: 0.9506883597449667
Energy: 0.8918869144614767
Energy: 0.9972815949598594
Energy: 0.9900682769088632
Energy: 0.9972815949590632
Energy: 0.9900682769096594
Energy: 0.9972815949590632
Energy: 0.9900682769096594
Energy: 0.9962603777807975
Energy: 0.9436646405017605
Energy: 0.9962603777807975
Energy: 0.943664640504149
Energy: 0.9962603777800013
Energy: 0.9436646405033529
Energy: 1.0380345360080503
Energy: 0.8999504421828279
Energy: 1.0380345360072543
Energy: 0.8999504421836241
Energy: 1.0380345360080503
Energy: 0.8999504421828279
Energy: 0.9999845889886247
Energy: 0.9292717137993944
Energy: 0.9999845889886247
Energy: 0.929271713797802
Energy: 0.9999845889878286
Energy: 0.9292717137970059
Energy: 0.8492107798101282
Energy: 1.0268595990296538
Energy: 0.849210779809332
Energy: 1.026859599028858
Energy: 0.849210779809332
Energy: 1.026859599028858

minimum gb energy = 0.7844559709225271 eV
minimum distance =  2.33824790880864 Angstroms
sigma value = 33


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

Energy: 1.2158184328787272
Energy: 1.014013113158945
Energy: 1.1717516524922302
Energy: 1.01401311315844
Energy: 1.2158184328797372
Energy: 1.014013113158945
Energy: 1.038353953570028
Energy: 1.0734987285884814
Energy: 1.0383539535695228
Energy: 1.0734987285884814
Energy: 1.038353953570028
Energy: 1.0734987285894917
Energy: 1.0981562204705817
Energy: 1.1487805616398805
Energy: 1.0981562204700765
Energy: 1.1487805616398805
Energy: 1.0981562204705817
Energy: 1.1487805616403857
Energy: 1.134050019589061
Energy: 1.0183059439330056
Energy: 1.134050019589061
Energy: 1.0183059439340156
Energy: 1.134050019589061
Energy: 1.0183059439330056
Energy: 0.9392549684315138
Energy: 1.0239193276745848
Energy: 0.9392549684330292
Energy: 1.02391932767509
Energy: 0.9392549684310088
Energy: 1.02391932767509
Energy: 1.1634812435075184
Energy: 1.104977528558466
Energy: 1.1634812435075184
Energy: 1.1049775285620016
Energy: 1.1634812435070134
Energy: 1.1049775285549306
Energy: 0.9970581086031444
Energy: 1.0414413344991498
Energy: 0.9970581086046597
Energy: 1.0414413344991498
Energy: 0.9970581086046597
Energy: 1.0414413344991498
Energy: 1.1324002616824715
Energy: 1.1035471643815775
Energy: 1.1324002616829765
Energy: 1.1035471643815775
Energy: 1.1324002616824715
Energy: 1.1035471643815775
Energy: 1.0474477744227961
Energy: 1.0965917195404709
Energy: 1.046613854704001
Energy: 1.096591719539966
Energy: 1.0474477744227961
Energy: 1.096591719540976
Energy: 1.073588138533906
Energy: 0.9905485065824795
Energy: 1.073588138533906
Energy: 0.9905485065819744
Energy: 1.073588138533906
Energy: 0.9905485065824795
Energy: 1.1316459098908327
Energy: 1.1543157641371782
Energy: 1.129274534302965
Energy: 1.1543157641366733
Energy: 1.1316459093829438
Energy: 1.1543157641371782
Energy: 0.9963952008267429
Energy: 1.0573309720377584
Energy: 0.9963952008262378
Energy: 1.0573309720382633
Energy: 0.9963952008262378
Energy: 1.0573309720377584
Energy: 1.1681826985954091
Energy: 1.073292289455803
Energy: 1.1681826985954091
Energy: 1.073292289455803
Energy: 1.1681826985954091
Energy: 1.073292289455803
Energy: 1.0571014212115806
Energy: 1.1481053659412759
Energy: 1.0571014212110754
Energy: 1.1481053659412759
Energy: 1.0571014212105705
Energy: 1.1481053659412759
Energy: 1.0385495508404494
Energy: 1.0672873341866462
Energy: 1.0385495508404494
Energy: 1.0672873341866462
Energy: 1.0385495508409546
Energy: 1.0672873341861413
Energy: 1.1340326834635397
Energy: 1.078013286151655
Energy: 1.1340326834630345
Energy: 1.078013286151655
Energy: 1.1340326834630345
Energy: 1.0780132861531702
Energy: 1.1250803528762792
Energy: 1.1092638690592727
Energy: 1.1250803528762792
Energy: 1.1092638690592727
Energy: 1.125080352875774
Energy: 1.1092638690592727
Energy: 1.1270347606609337
Energy: 1.1989345533268105
Energy: 1.1270347606614388
Energy: 1.1989345533268105
Energy: 1.1270347606609337
Energy: 1.1989345533268105
Energy: 1.00263308615287
Energy: 1.153009919887789
Energy: 1.00263308615287
Energy: 1.153009919887789
Energy: 1.0026330861523651
Energy: 1.1530099198882482
Energy: 1.1751089601979672
Energy: 1.0342929513045513
Energy: 1.1751089601979672
Energy: 1.0342929513040464
Energy: 1.1751089601979672
Energy: 1.0342929513040464
Energy: 1.1350832741710577
Energy: 1.1884719014608627
Energy: 1.1347098446420834
Energy: 1.1884719014608627
Energy: 1.1350832741695425
Energy: 1.1884719014603577
Energy: 1.047232020858286
Energy: 0.9549694918402689
Energy: 1.0472320208572758
Energy: 0.9549694918402689
Energy: 1.0472320208572758
Energy: 0.9549694918402689
Energy: 1.1017894679236342
Energy: 1.148571492474272
Energy: 1.0026008940056745
Energy: 1.148571492474272
Energy: 1.1017894679241393
Energy: 1.148571492474777
Energy: 1.1438045216908916
Energy: 1.0725598043972502
Energy: 1.1827968095776236
Energy: 1.0725598043977556
Energy: 1.1438045216913968
Energy: 1.0725598043972502
Energy: 1.0362982121768167
Energy: 1.0551662043099663
Energy: 0.9970562475860255
Energy: 1.0551662043109764
Energy: 1.0362982121768167
Energy: 1.0551662043104715
Energy: 1.0724474826866532
Energy: 1.1551168193023134
Energy: 1.0724474826871582
Energy: 1.1551168193023134
Energy: 1.0724474826866532
Energy: 1.1551168193028183
Energy: 0.9860653072001582
Energy: 1.0154416923451806
Energy: 0.9860653072011683
Energy: 1.0154416923451806
Energy: 0.9860653072011683
Energy: 1.0154416923461909
Energy: 1.1249296788374525
Energy: 1.157099676600561
Energy: 1.1249296788369474
Energy: 1.1570996766010662
Energy: 1.1249296788369474
Energy: 1.1570996766015713
Energy: 1.0562234230314087
Energy: 1.0227128609409628
Energy: 1.0562234228799743
Energy: 1.0227128602164832
Energy: 1.056223423045046
Energy: 1.0227128605093423
Energy: 0.9960622573102001
Energy: 0.9924837333367049
Energy: 0.9960622573107052
Energy: 0.9924837333367049
Energy: 0.9960622573102001
Energy: 0.9924837333372101
Energy: 1.1873923192078029
Energy: 1.151326946181735
Energy: 1.1873923192078029
Energy: 1.151326946181735
Energy: 1.1873923192078029
Energy: 1.151326946181735
Energy: 0.9986051149519873
Energy: 1.034196039611869
Energy: 0.9986692203961929
Energy: 1.034196039612374
Energy: 0.9986051149519873
Energy: 1.0341960396108587
Energy: 1.1326615451888153
Energy: 1.2406123753294314
Energy: 1.1326604323992397
Energy: 1.240612375328926
Energy: 1.1326615451888153
Energy: 1.2406123753294314
Energy: 1.0992262961788917
Energy: 1.0695173909381641
Energy: 1.0992262961793968
Energy: 1.069517390938669
Energy: 1.0992262961788917
Energy: 1.0695173909396793
Energy: 1.016258443997253
Energy: 1.1494957700559603
Energy: 1.016258443996748
Energy: 1.149495770055455
Energy: 1.016258443996748
Energy: 1.1494957700559603
Energy: 1.1709600448886963
Energy: 1.016549341716756
Energy: 1.1709600448902115
Energy: 1.016549341716756
Energy: 1.1709600448897064
Energy: 1.016549341716756
Energy: 1.0416577236462814
Energy: 1.0809883676595229
Energy: 1.0416577236467865
Energy: 1.0809883676595229
Energy: 1.0416577236467865
Energy: 1.080988367660028

minimum gb energy = 0.9392549684310088 eV
minimum distance =  2.28261306711626 Angstroms
sigma value = 41


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

Energy: 1.2852400511965132
Energy: 1.1185401788935256
Energy: 1.2852400511965132
Energy: 1.1185401788935256
Energy: 1.2852400511965132
Energy: 1.1185401788935256
Energy: 1.1260793670592113
Energy: 1.224021052433331
Energy: 1.1260793670592113
Energy: 1.224021052433331
Energy: 1.1260793670592113
Energy: 1.224021052433331
Energy: 1.346523074793385
Energy: 1.2272690798316637
Energy: 1.3465230747947643
Energy: 1.2272690798316637
Energy: 1.3465230747947643
Energy: 1.2272690798316637
Energy: 1.2221945176492994
Energy: 1.3387845776427099
Energy: 1.2221945176492994
Energy: 1.3387845776427099
Energy: 1.2221945176492994
Energy: 1.3387845776427099
Energy: 1.1000512398650217
Energy: 1.16301822530215
Energy: 1.1000512398650217
Energy: 1.16301822530215
Energy: 1.1000512398650217
Energy: 1.16301822530215
Energy: 1.357660008864542
Energy: 1.2644999194400046
Energy: 1.357660008864542
Energy: 1.264499919441384
Energy: 1.357660008864542
Energy: 1.2644999194400046
Energy: 1.2911843012365098
Energy: 1.3096322410680312
Energy: 1.2911843012365098
Energy: 1.3096322410666525
Energy: 1.2911843012365098
Energy: 1.3096322410680312
Energy: 1.2164679035611055
Energy: 1.2258380567551992
Energy: 1.2164679035611055
Energy: 1.2258380567551992
Energy: 1.2164679035611055
Energy: 1.22583805675382
Energy: 1.1250393022059026
Energy: 1.1404303328989986
Energy: 1.1250393022059026
Energy: 1.1404303328976197
Energy: 1.1250393022059026
Energy: 1.1404303328989986
Energy: 1.278706526851993
Energy: 1.163254576302564
Energy: 1.278706526851993
Energy: 1.163254576302564
Energy: 1.278706526851993
Energy: 1.163254576302564
Energy: 1.1267002923637817
Energy: 1.2272731015108291
Energy: 1.1267002923651608
Energy: 1.2272731015108291
Energy: 1.1267002923651608
Energy: 1.2272731015108291
Energy: 1.2093158090813128
Energy: 1.2233857015909666
Energy: 1.2093158090813128
Energy: 1.2233857015909666
Energy: 1.2093158090813128
Energy: 1.2233857015909666
Energy: 1.2543885864307391
Energy: 1.2495752698960279
Energy: 1.2543885864307391
Energy: 1.2495752698960279
Energy: 1.2543885864307391
Energy: 1.2495752698960279
Energy: 1.2384453944893308
Energy: 1.1794853218124846
Energy: 1.2384453944893308
Energy: 1.1794853218124846
Energy: 1.2384453944893308
Energy: 1.1794853218124846

minimum gb energy = 1.1000512398650217 eV
minimum distance =  2.29409495306127 Angstroms
sigma value = 11


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

Energy: 1.4261017540859182
Energy: 1.3597917759395066
Energy: 1.4261017540859182
Energy: 1.3597917759401126
Energy: 1.4261017540859182
Energy: 1.3597917759401126
Energy: 1.219127333896564
Energy: 1.3490392657843566
Energy: 1.2191273338971698
Energy: 1.3490392657843566
Energy: 1.2191273338971698
Energy: 1.3490392657843566
Energy: 1.3490162026620596
Energy: 1.3267239384356586
Energy: 1.3490162025233843
Energy: 1.3267239384350529
Energy: 1.3490162026105932
Energy: 1.3267239384350529
Energy: 1.3456776362519003
Energy: 1.2190404569035138
Energy: 1.345677636252506
Energy: 1.2190404569035138
Energy: 1.345677636252506
Energy: 1.2190404569035138
Energy: 1.3576358000215567
Energy: 1.3218753013131286
Energy: 1.3576358000215567
Energy: 1.3218753013137343
Energy: 1.3576358000215567
Energy: 1.3218753013131286
Energy: 1.2914550211779068
Energy: 1.3480679185659872
Energy: 1.2914550211779068
Energy: 1.3480679185659872
Energy: 1.2914550211773013
Energy: 1.3480679185659872
Energy: 1.3492682824157465
Energy: 1.2688512452497136
Energy: 1.3492682824157465
Energy: 1.2688512452497136
Energy: 1.3492682824157465
Energy: 1.2688512452497136
Energy: 1.2826578614246775
Energy: 1.314131822010529
Energy: 1.2826578614246775
Energy: 1.3141318220099234
Energy: 1.2826578614246775
Energy: 1.3141318220099234
Energy: 1.3058262242822938
Energy: 1.3141085914518553
Energy: 1.3058262242822938
Energy: 1.3141085914518553
Energy: 1.3058262242822938
Energy: 1.3141085914518553
Energy: 1.3225075225324139
Energy: 1.2981027097451192
Energy: 1.3225075225330196
Energy: 1.2981027097456974
Energy: 1.3225075225330196
Energy: 1.2981027097456974
Energy: 1.281611398423461
Energy: 1.351551841387685
Energy: 1.281611398423461
Energy: 1.351551841387685
Energy: 1.281611398423461
Energy: 1.351551841387685
Energy: 1.3379575151906877
Energy: 1.3641218793730856
Energy: 1.3379575151906877
Energy: 1.3641218793730856
Energy: 1.3379575151906877
Energy: 1.3641218793730856
Energy: 1.3508600577000776
Energy: 1.26458201877193
Energy: 1.3508600577000776
Energy: 1.26458201877193
Energy: 1.3508600577000776
Energy: 1.26458201877193
Energy: 1.281220448965697
Energy: 1.3391089440270803
Energy: 1.281220448965697
Energy: 1.3391089440264745
Energy: 1.281220448965697
Energy: 1.3391089440270803
Energy: 1.204230783614457
Energy: 1.2991934322900967
Energy: 1.204230783615063
Energy: 1.2991934322894911
Energy: 1.204230783615063
Energy: 1.2991934322900967
Energy: 1.354563223837017
Energy: 1.2670471285884604
Energy: 1.354563223837017
Energy: 1.2670471285878546
Energy: 1.354563223837017
Energy: 1.2670471285872489
Energy: 1.2349279096775052
Energy: 1.3526635942470622
Energy: 1.2349279096775052
Energy: 1.3526635942470622
Energy: 1.234927909678111
Energy: 1.3526635942470622
Energy: 1.3487147220623832
Energy: 1.3702574627514292
Energy: 1.3487147220569584
Energy: 1.3702574627514292
Energy: 1.3487147220642004
Energy: 1.3702574627514292
Energy: 1.2918465451370826
Energy: 1.194962834228193
Energy: 1.2918465451376884
Energy: 1.194962834228799
Energy: 1.2918465451376884
Energy: 1.1949628342294047
Energy: 1.2820211100864245
Energy: 1.3342413824394275
Energy: 1.2820211106011428
Energy: 1.3342413824394275
Energy: 1.2820211102529673
Energy: 1.3342413824394275
Energy: 1.2361844118097403
Energy: 1.2640944084689962
Energy: 1.2361844118097403
Energy: 1.2640944084683905
Energy: 1.2361844118097403
Energy: 1.2640944084689962
Energy: 1.3786660127115051
Energy: 1.3655730376719992
Energy: 1.3786660127090817
Energy: 1.3655730376719992
Energy: 1.3786660127115051
Energy: 1.3655730376719992
Energy: 1.2624817918977096
Energy: 1.3336558137677414
Energy: 1.262481791899527
Energy: 1.3336558137671355
Energy: 1.262481791899527
Energy: 1.3336558137677414
Energy: 1.3655536302330804
Energy: 1.3470365636014472
Energy: 1.3655536302324747
Energy: 1.3470365636014472
Energy: 1.3655536302330804
Energy: 1.3470365636014472
Energy: 1.3206682465893274
Energy: 1.2948853279538652
Energy: 1.3206682465887216
Energy: 1.2948853279538652
Energy: 1.3206682465887216
Energy: 1.2948853279538652
Energy: 1.2462249566389094
Energy: 1.344788946242474
Energy: 1.2462249566389094
Energy: 1.344788946242474
Energy: 1.2462249566389094
Energy: 1.3447889462430798
Energy: 1.295852777325296
Energy: 1.3589196679351379
Energy: 1.2958527773259019
Energy: 1.3589196679351379
Energy: 1.2958527773259019
Energy: 1.3589196679357158
Energy: 1.3560796284939611
Energy: 1.2608428765457929
Energy: 1.3560796284945669
Energy: 1.2608428765457929
Energy: 1.3560796284939611
Energy: 1.2608428765457929
Energy: 1.2828803899445862
Energy: 1.3281362720273304
Energy: 1.2828803899445862
Energy: 1.3281362720273304
Energy: 1.2828803899445862
Energy: 1.3281362720230898
Energy: 1.2720277223090541
Energy: 1.2117280988919015
Energy: 1.2720277223090541
Energy: 1.2117280988925072
Energy: 1.2720277223090541
Energy: 1.2117280988925072
Energy: 1.3241796076453165
Energy: 1.3602874151338904
Energy: 1.3241796076459225
Energy: 1.3602874151338904
Energy: 1.3241796076459225
Energy: 1.3602874151338904

minimum gb energy = 1.194962834228193 eV
minimum distance =  2.26143549793735 Angstroms
sigma value = 57


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

Energy: 1.2376214808078294
Energy: 1.1396658280154253
Energy: 1.2376214808067512
Energy: 1.1396658280143472
Energy: 1.2376214808067512
Energy: 1.1396658280143472
Energy: 1.2979863836405365
Energy: 1.3310251232715984
Energy: 1.2979863836405365
Energy: 1.3310251232715984
Energy: 1.2979863836405365
Energy: 1.3310251232705204
Energy: 1.3311275466162313
Energy: 1.2618825908913471
Energy: 1.3311275466173094
Energy: 1.2618825908913471
Energy: 1.3311275466173094
Energy: 1.2618825908913471
Energy: 1.2235797191746207
Energy: 1.5174945423001192
Energy: 1.223579719173543
Energy: 1.5174945423001192
Energy: 1.2235797191746207
Energy: 1.5174945423001192
Energy: 1.3310278257335977
Energy: 1.2618810839715802
Energy: 1.3310278257325194
Energy: 1.2618810839715802
Energy: 1.3310278257357537
Energy: 1.2618810839715802
Energy: 1.2981782793255743
Energy: 1.329995559301785
Energy: 1.2981782793255743
Energy: 1.3299955593028627
Energy: 1.2981782793266523
Energy: 1.329995559301785
Energy: 1.2376214808067512
Energy: 1.1396658280143472
Energy: 1.2376214808078294
Energy: 1.1396658280154253
Energy: 1.2376214808078294
Energy: 1.1396658280154253
Energy: 1.2979863836405365
Energy: 1.3310251232715984
Energy: 1.2979863836405365
Energy: 1.3310251232715984
Energy: 1.2979863836405365
Energy: 1.3310251232715984
Energy: 1.3311275466173094
Energy: 1.2618825908913471
Energy: 1.3311275466173094
Energy: 1.2618825908913471
Energy: 1.3311275466162313
Energy: 1.2618825908913471
Energy: 1.223579719173543
Energy: 1.4998230365835536
Energy: 1.2235797191746207
Energy: 1.4998230365824758
Energy: 1.223579719173543
Energy: 1.4998230365835536
Energy: 1.3310278257325194
Energy: 1.2618810839705021
Energy: 1.3310278257335977
Energy: 1.2618810839705021
Energy: 1.3310278257325194
Energy: 1.2618810839705021
Energy: 1.2981782793255743
Energy: 1.3299955593028627
Energy: 1.2981782793255743
Energy: 1.329995559301785
Energy: 1.2981782793255743
Energy: 1.3299955593028627
Energy: 1.2376214808078294
Energy: 1.1396658280143472
Energy: 1.2376214808067512
Energy: 1.1396658280154253
Energy: 1.2376214808067512
Energy: 1.1396658280154253
Energy: 1.2979863836405365
Energy: 1.3310251232705204
Energy: 1.2979863836394585
Energy: 1.3310251232715984
Energy: 1.2979863836405365
Energy: 1.3310251232705204
Energy: 1.3311275466173094
Energy: 1.2618825908913471
Energy: 1.3311275466173094
Energy: 1.2618825908913471
Energy: 1.3311275466173094
Energy: 1.2618825908913471
Energy: 1.2235797191746207
Energy: 1.2963916261650827
Energy: 1.2235797191746207
Energy: 1.2963916261650827
Energy: 1.2235797191746207
Energy: 1.2963916261650827
Energy: 1.3310278257368318
Energy: 1.2618810839715802
Energy: 1.3310278257346755
Energy: 1.2618810839715802
Energy: 1.3310278257368318
Energy: 1.2618810839715802

minimum gb energy = 1.1396658280143472 eV
minimum distance =  2.32866964080224 Angstroms
sigma value = 9


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

Energy: 1.3453477367000504
Energy: 1.36940000878744
Energy: 1.34534773669917
Energy: 1.3694000087883202
Energy: 1.3453477367000504
Energy: 1.36940000878744
Energy: 1.279091674116727
Energy: 1.3630568754054997
Energy: 1.2790916741176073
Energy: 1.3630568754054997
Energy: 1.2790916741176073
Energy: 1.3630568754054997
Energy: 1.275955437315326
Energy: 1.2870112154444415
Energy: 1.2759554373144457
Energy: 1.2870112154444415
Energy: 1.2759554373144457
Energy: 1.2870112154435616
Energy: 1.2756570640191855
Energy: 1.4541559841391374
Energy: 1.2756570640183051
Energy: 1.4541559841391374
Energy: 1.2756570640183051
Energy: 1.4541559841391374
Energy: 1.2727185564559242
Energy: 1.312142304066047
Energy: 1.272718556455044
Energy: 1.312142304065167
Energy: 1.272718556455044
Energy: 1.312142304065167
Energy: 1.2943587779203285
Energy: 1.3084101342795689
Energy: 1.2943587779203285
Energy: 1.3084101342778083
Energy: 1.2943587779203285
Energy: 1.3084101342778083
Energy: 1.2846315316550272
Energy: 1.29279588008367
Energy: 1.2846315316550272
Energy: 1.29279588008367
Energy: 1.2846315316550272
Energy: 1.29279588008367
Energy: 1.2863530555387808
Energy: 1.3165999575846772
Energy: 1.2863530555379006
Energy: 1.3165999575846772
Energy: 1.2863530555379006
Energy: 1.3165999575837968
Energy: 1.441401902990649
Energy: 1.2858896090370415
Energy: 1.441401902990649
Energy: 1.2858896090370415
Energy: 1.4414019029915293
Energy: 1.2858896090361613
Energy: 1.286022931415231
Energy: 1.2726399676529285
Energy: 1.286022931415231
Energy: 1.2726399676529285
Energy: 1.2860229314161113
Energy: 1.2726399676529285
Energy: 1.310305234022998
Energy: 1.2772347904598453
Energy: 1.310305234022998
Energy: 1.2772347904607255
Energy: 1.3103052340221177
Energy: 1.2772347904607255
Energy: 1.3316734960068273
Energy: 1.3095318708376782
Energy: 1.331673496005947
Energy: 1.309531870836798
Energy: 1.3316734960077077
Energy: 1.309531870836798
Energy: 1.2791537952122827
Energy: 1.3164848970110465
Energy: 1.2791537952122827
Energy: 1.316484897011927
Energy: 1.2791537952122827
Energy: 1.3164848970110465
Energy: 1.3054865282710655
Energy: 1.2829267479974067
Energy: 1.3054865282710655
Energy: 1.282926747999167
Energy: 1.305486528270185
Energy: 1.282926747999167
Energy: 1.3396287043083899
Energy: 1.2967207599772714
Energy: 1.3396287043083899
Energy: 1.2967207599772714
Energy: 1.33962870430927
Energy: 1.2967207599772714
Energy: 1.3413028995239662
Energy: 1.337137923532681
Energy: 1.3413028995248464
Energy: 1.3371379235318006
Energy: 1.3413028995239662
Energy: 1.3371379235318006
Energy: 1.3375282362177532
Energy: 1.2783914389047242
Energy: 1.3375282362177532
Energy: 1.2783914389038438
Energy: 1.3375282362168728
Energy: 1.2783914389038438
Energy: 1.4219300780594686
Energy: 1.301923769740386
Energy: 1.4219300780585884
Energy: 1.301923769740386
Energy: 1.4219300780585884
Energy: 1.301923769740386
Energy: 1.2727629617387457
Energy: 1.2840259276569252
Energy: 1.2727629617387457
Energy: 1.2840259276586858
Energy: 1.2727629617387457
Energy: 1.2840259276569252
Energy: 1.3480793754283444
Energy: 1.3085898098003894
Energy: 1.3480793754283444
Energy: 1.3085898098003894
Energy: 1.3480793754283444
Energy: 1.3085898098012696
Energy: 1.3334528407745374
Energy: 1.3242831106077597
Energy: 1.3334528407745374
Energy: 1.3242831106068798
Energy: 1.3334528407745374
Energy: 1.3242831106068798

minimum gb energy = 1.2726399676529285 eV
minimum distance =  2.27798733561934 Angstroms
sigma value = 27


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

Energy: 1.3138265068213648
Energy: 1.2622698076335315
Energy: 1.2550415113390065
Energy: 1.2622698076327892
Energy: 1.3138265068213648
Energy: 1.2622698076335315
Energy: 1.2598318216222772
Energy: 1.2210313604894756
Energy: 1.2598318216230193
Energy: 1.2210313604887335
Energy: 1.2598318216222772
Energy: 1.2210313604902174
Energy: 1.2198857089917508
Energy: 1.2937484867689806
Energy: 1.2198857089924928
Energy: 1.2937484867689806
Energy: 1.2198857089917508
Energy: 1.2937484867689806
Energy: 1.2549349833464463
Energy: 1.3693395554140106
Energy: 1.2549349833457042
Energy: 1.3693395554140106
Energy: 1.2549349833464463
Energy: 1.3693395554140106
Energy: 1.2228852011559936
Energy: 1.172328818726851
Energy: 1.2228852011559936
Energy: 1.172328818726851
Energy: 1.2228852011559936
Energy: 1.172328818726851
Energy: 1.2624112502494003
Energy: 1.2585458629222352
Energy: 1.2624112502494003
Energy: 1.2585458629222352
Energy: 1.2624112502494003
Energy: 1.2585458629222352
Energy: 1.2549839995059182
Energy: 1.2390191197416673
Energy: 1.2549839995059182
Energy: 1.2390191197416673
Energy: 1.2549839995051761
Energy: 1.2390191197416673
Energy: 1.3747889933933244
Energy: 1.283271763423538
Energy: 1.3747889933933244
Energy: 1.283271763423538
Energy: 1.3747889933933244
Energy: 1.2832717634227961
Energy: 1.164794113610363
Energy: 1.25842639396867
Energy: 1.164794113611105
Energy: 1.25842639396867
Energy: 1.1647941136096212
Energy: 1.25842639396867
Energy: 1.2553223461476626
Energy: 1.1656243733843816
Energy: 1.2553223461476626
Energy: 1.1656243733836396
Energy: 1.2553223461476626
Energy: 1.1656243733836396
Energy: 1.2551537554008285
Energy: 1.2526154701978176
Energy: 1.2551537554008285
Energy: 1.2526154701978176
Energy: 1.2551537554008285
Energy: 1.2526154701978176
Energy: 1.2360201846396497
Energy: 1.2576154923716718
Energy: 1.2360201846396497
Energy: 1.2576154923709297
Energy: 1.2360201846396497
Energy: 1.2576154923716718
Energy: 1.2872425559405474
Energy: 1.3706069066187307
Energy: 1.2872425559398055
Energy: 1.3706069066187307
Energy: 1.2872425559398055
Energy: 1.3706069066187307
Energy: 1.2553007400899145
Energy: 1.1664219623798455
Energy: 1.2553007400899145
Energy: 1.1664219623798455
Energy: 1.2553007400899145
Energy: 1.1664219623805874
Energy: 1.2618980508805615
Energy: 1.2582614094839886
Energy: 1.2618980508813036
Energy: 1.2582614094839886
Energy: 1.2618980508813036
Energy: 1.2582614094839886
Energy: 1.222552308970209
Energy: 1.2392454562363797
Energy: 1.222552308970209
Energy: 1.2392454562363797
Energy: 1.222552308970209
Energy: 1.2392454562371218
Energy: 1.2551055010789354
Energy: 1.2221745878135482
Energy: 1.2551055010789354
Energy: 1.2221745878135482
Energy: 1.2551055010789354
Energy: 1.22217458781429
Energy: 1.3688337692991104
Energy: 1.2842315495831191
Energy: 1.3688337692991104
Energy: 1.2842315495823773
Energy: 1.3688337692998522
Energy: 1.2842315495823773
Energy: 1.2412870973332457
Energy: 1.2213565747398356
Energy: 1.181965494842173
Energy: 1.2213565747405777
Energy: 1.2412870973332457
Energy: 1.2213565747405777
Energy: 1.3138265068213648
Energy: 1.2622698076327892
Energy: 1.2550415113390065
Energy: 1.2622698076327892
Energy: 1.3138265068213648
Energy: 1.2622698076327892
Energy: 1.2598318216222772
Energy: 1.2210313604894756
Energy: 1.2598318216222772
Energy: 1.2210313604894756
Energy: 1.2598318216222772
Energy: 1.2210313604894756
Energy: 1.2198857089917508
Energy: 1.2937484867689806
Energy: 1.2198857089917508
Energy: 1.2937484867689806
Energy: 1.2198857089924928
Energy: 1.2937484867689806
Energy: 1.2549349833457042
Energy: 1.3693395554132686
Energy: 1.2549349833464463
Energy: 1.3693395554125265
Energy: 1.2549349833464463
Energy: 1.3693395554125265
Energy: 1.2228852011559936
Energy: 1.172328818726851
Energy: 1.2228852011559936
Energy: 1.172328818726851
Energy: 1.2228852011559936
Energy: 1.172328818726851
Energy: 1.2624112502494003
Energy: 1.2585458629222352
Energy: 1.2624112502494003
Energy: 1.2585458629222352
Energy: 1.2624112502494003
Energy: 1.2585458629222352

minimum gb energy = 1.1647941136096212 eV
minimum distance =  2.3147096333743 Angstroms
sigma value = 19


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

Energy: 1.2748582390722767
Energy: 1.3951259073884466
Energy: 1.2748582390722767
Energy: 1.3951259073890871
Energy: 1.2748582390722767
Energy: 1.3951259073890871
Energy: 1.283531476407771
Energy: 1.291701070633128
Energy: 1.283531476407771
Energy: 1.2917010706337395
Energy: 1.283531476407771
Energy: 1.2917010706318475
Energy: 1.4141747275294474
Energy: 1.2242239848819876
Energy: 1.4141747275294474
Energy: 1.2242239848819876
Energy: 1.4141747275294474
Energy: 1.2242239848826277
Energy: 1.2208238104123854
Energy: 1.283045713118089
Energy: 1.2208238104123854
Energy: 1.283045713118089
Energy: 1.2208238104123854
Energy: 1.283045713118089
Energy: 1.259452094184112
Energy: 1.2429958975854993
Energy: 1.2594520941847525
Energy: 1.2429958975848592
Energy: 1.2594520941847525
Energy: 1.2429958975854993
Energy: 1.2936402025435885
Energy: 1.232103966301229
Energy: 1.2936402025435885
Energy: 1.2321039663018696
Energy: 1.2936402025435885
Energy: 1.2321039663018696
Energy: 1.2018481906050618
Energy: 1.4208933128613586
Energy: 1.2018481906044212
Energy: 1.4208933128600778
Energy: 1.2018481906050618
Energy: 1.4208933128613586
Energy: 1.2513160389918085
Energy: 1.4189318857501405
Energy: 1.2513160389918085
Energy: 1.4189318857507809
Energy: 1.2513160389911684
Energy: 1.4189318857501405
Energy: 1.2879975235651402
Energy: 1.2001698995324568
Energy: 1.2879975235657806
Energy: 1.2001698995318166
Energy: 1.2879975235657806
Energy: 1.2001698995324568
Energy: 1.2848440959426315
Energy: 1.2902632825707034
Energy: 1.2848440959426315
Energy: 1.2902632825707034
Energy: 1.2848440959426315
Energy: 1.2902632825713436
Energy: 1.2126137691413756
Energy: 1.4247716425597636
Energy: 1.2126137691413756
Energy: 1.4247716425597636
Energy: 1.2126137691413756
Energy: 1.4247716425597636
Energy: 1.2779543908945898
Energy: 1.2244692565178672
Energy: 1.2779543908933089
Energy: 1.224469256516586
Energy: 1.2779543908926683
Energy: 1.2244692565172266
Energy: 1.2603732558475358
Energy: 1.2543722997928426
Energy: 1.2603732558468952
Energy: 1.2543722997928426
Energy: 1.2603732558475358
Energy: 1.2543722997928426
Energy: 1.2276653298667655
Energy: 1.2780860760279498
Energy: 1.2276653298667655
Energy: 1.2780860760279498
Energy: 1.2276653298667655
Energy: 1.2780860760279498
Energy: 1.290734580678759
Energy: 1.2250518638375056
Energy: 1.290734580678759
Energy: 1.2250518638375056
Energy: 1.290734580678759
Energy: 1.2250518638375056
Energy: 1.4124407770608685
Energy: 1.2002806273795907
Energy: 1.4124407770602279
Energy: 1.2002806273795907
Energy: 1.4124407770602279
Energy: 1.2002806273795907
Energy: 1.2347982644470408
Energy: 1.2715207493753338
Energy: 1.234798264447681
Energy: 1.2715207493759744
Energy: 1.234798264447681
Energy: 1.2715207493759744
Energy: 1.2665985610092407
Energy: 1.303469221304629
Energy: 1.2665985610086004
Energy: 1.303469221304629
Energy: 1.2665985610086004
Energy: 1.303469221304629
Energy: 1.3347160217466103
Energy: 1.2299204047514485
Energy: 1.33471602174597
Energy: 1.2299204047508079
Energy: 1.3347160217466103
Energy: 1.2299204047514485
Energy: 1.2468887845394676
Energy: 1.2478747356474775
Energy: 1.246888784538827
Energy: 1.2478747356474775
Energy: 1.2468887845394676
Energy: 1.2478747356474775
Energy: 1.193310872379417
Energy: 1.4154808432119552
Energy: 1.1933108723787766
Energy: 1.4154808432125956
Energy: 1.1933108723787766
Energy: 1.4154808432113148
Energy: 1.2919289001472551
Energy: 1.2243692103497905
Energy: 1.2919289001472551
Energy: 1.2243692103497905
Energy: 1.2919289001472551
Energy: 1.2243692103497905
Energy: 1.3301238634338552
Energy: 1.2850819902892163
Energy: 1.3301238634338552
Energy: 1.285081990288576
Energy: 1.3301238634338552
Energy: 1.2850819902892163
Energy: 1.2680335576030293
Energy: 1.395260441122657
Energy: 1.2680335576030293
Energy: 1.395260441122657
Energy: 1.268033557602389
Energy: 1.3952604411220166
Energy: 1.2308806896135334
Energy: 1.2244698284042486
Energy: 1.2308806896135334
Energy: 1.2244698284036082
Energy: 1.2308806896135334
Energy: 1.2244698284042486
Energy: 1.291521542044846
Energy: 1.2325111903538017
Energy: 1.291521542044846
Energy: 1.2325111903538017
Energy: 1.291521542044846
Energy: 1.2325111903538017
Energy: 1.2037189081485389
Energy: 1.2556458390434118
Energy: 1.2037189081491793
Energy: 1.2556458390434118
Energy: 1.2037189081485389
Energy: 1.2556458390434118
Energy: 1.2617521642601246
Energy: 1.2502868234803306
Energy: 1.2617521642601246
Energy: 1.2502868234803306
Energy: 1.2617521642594844
Energy: 1.2502868234796902
Energy: 1.2593555559058696
Energy: 1.230123396129481
Energy: 1.2593555559058696
Energy: 1.230123396129481
Energy: 1.2593555559058696
Energy: 1.230123396129481

minimum gb energy = 1.1933108723787766 eV
minimum distance =  2.27577216901821 Angstroms
sigma value = 101


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

Energy: 1.2040343658771742
Energy: 1.3083566792766144
Energy: 1.2040343658766113
Energy: 1.3083566792766144
Energy: 1.2040343658771742
Energy: 1.3083566792760515
Energy: 1.406122497087859
Energy: 1.209890020208974
Energy: 1.4061224970884216
Energy: 1.209890020208974
Energy: 1.406122497087859
Energy: 1.209890020208411
Energy: 1.1648177489116005
Energy: 1.1568895316186736
Energy: 1.1648177489116005
Energy: 1.1568895316197996
Energy: 1.1648177489104745
Energy: 1.1568895316197996
Energy: 1.1396952134260188
Energy: 1.5133035694943733
Energy: 1.1396952134265819
Energy: 1.5133035694943733
Energy: 1.1396952134260188
Energy: 1.5133035694943733
Energy: 1.1916006954061487
Energy: 1.2396349029787168
Energy: 1.1916006954067118
Energy: 1.2396349029798426
Energy: 1.1916006954067118
Energy: 1.2396349029787168
Energy: 1.26830466312564
Energy: 1.1567129534003115
Energy: 1.26830466312564
Energy: 1.1567129534003115
Energy: 1.26830466312564
Energy: 1.1567129534003115
Energy: 1.1742900876978681
Energy: 1.1877461820664152
Energy: 1.1742900876984312
Energy: 1.1877462485548989
Energy: 1.1742900876978681
Energy: 1.1877465554353508
Energy: 1.1400812649905607
Energy: 1.5241385374478629
Energy: 1.1400812649905607
Energy: 1.5241385374472998
Energy: 1.1400812649905607
Energy: 1.5241385374472998
Energy: 1.2678539947028995
Energy: 1.1578120385532495
Energy: 1.2678539947028995
Energy: 1.1578120385532495
Energy: 1.2678539947028995
Energy: 1.1578120385532495
Energy: 1.1910827804359851
Energy: 1.24844177947361
Energy: 1.1910827804359851
Energy: 1.2484417794752987
Energy: 1.1910827804359851
Energy: 1.24844177947361
Energy: 1.1372779668502677
Energy: 1.3135151656223985
Energy: 1.1372779668502677
Energy: 1.3135151656218356
Energy: 1.1372779668502677
Energy: 1.3135151656223985
Energy: 1.4078814640934068
Energy: 1.2090295545166636
Energy: 1.4078814640917177
Energy: 1.2090295545161005
Energy: 1.4078814640934068
Energy: 1.2090295545161005
Energy: 1.2402695476674488
Energy: 1.1565518378793223
Energy: 1.240269547668012
Energy: 1.1565518378810111
Energy: 1.2402695476674488
Energy: 1.1565518378804482
Energy: 1.203468616390453
Energy: 1.4873987648542661
Energy: 1.203468616390453
Energy: 1.4873987648542661
Energy: 1.2034686163898902
Energy: 1.4873987648542661
Energy: 1.2675985106513517
Energy: 1.175801723351085
Energy: 1.2675985106513517
Energy: 1.175801723351085
Energy: 1.2675985106513517
Energy: 1.175801723351648
Energy: 1.2708573062413742
Energy: 1.1758230758568642
Energy: 1.2708573062413742
Energy: 1.1758230758568642
Energy: 1.2708573062408113
Energy: 1.1758230758568642
Energy: 1.1325548407289108
Energy: 1.4071097174330707
Energy: 1.1325548407294737
Energy: 1.4071097174330707
Energy: 1.1325548407294737
Energy: 1.4071097174341967
Energy: 1.132697659987581
Energy: 1.28984625842816
Energy: 1.132697659987581
Energy: 1.28984625842816
Energy: 1.132697659987581
Energy: 1.289846258427597
Energy: 1.26657878211346
Energy: 1.1575712409005645
Energy: 1.266578782111771
Energy: 1.1575712409005645
Energy: 1.266578782112897
Energy: 1.1575712409005645
Energy: 1.2164382296663445
Energy: 1.2481924812072074
Energy: 1.2164382296663445
Energy: 1.2481924812072074
Energy: 1.2164382296657816
Energy: 1.2481924812077705
Energy: 1.1585260766332741
Energy: 1.321293693326139
Energy: 1.1585260766332741
Energy: 1.321293693326139
Energy: 1.1585260766327112
Energy: 1.321293693325576
Energy: 1.5090788671310837
Energy: 1.1560860227250649
Energy: 1.5090788671316469
Energy: 1.156086022725628
Energy: 1.5090788671316469
Energy: 1.156086022725628
Energy: 1.2460450907290836
Energy: 1.1505438932335936
Energy: 1.2460450907290836
Energy: 1.1505438932335936
Energy: 1.2460450907296465
Energy: 1.1505438932335936
Energy: 1.1398479907883934
Energy: 1.2877649581638868
Energy: 1.1398479907883934
Energy: 1.2877649581638868
Energy: 1.1398479907883934
Energy: 1.2877649581644497
Energy: 1.2830437271472845
Energy: 1.176303470280164
Energy: 1.2830437271472845
Energy: 1.176303470280727
Energy: 1.2830437271478476
Energy: 1.17630347028129
Energy: 1.2387264729026426
Energy: 1.1792662329335537
Energy: 1.2387264729020797
Energy: 1.1792662329335537
Energy: 1.2387264729037686
Energy: 1.1792662329329908
Energy: 1.2036142958029836
Energy: 1.3535261022140872
Energy: 1.2036142958029836
Energy: 1.3535261022135243
Energy: 1.203614295802421
Energy: 1.3535261022135243
Energy: 1.2043746811004554
Energy: 1.2775940778654606
Energy: 1.2043746811004554
Energy: 1.2775940778648975
Energy: 1.2043746811004554
Energy: 1.2775940778654606
Energy: 1.2543193792331138
Energy: 1.1737693340305269
Energy: 1.2543193792325509
Energy: 1.1737693340305269
Energy: 1.2543193792325509
Energy: 1.1737693340305269
Energy: 1.1331095120693022
Energy: 1.280778722510106
Energy: 1.133109512068739
Energy: 1.2807787225106688
Energy: 1.1331095120693022
Energy: 1.280778722510106
Energy: 1.1328091931661048
Energy: 1.1950726123045212
Energy: 1.1328091931666677
Energy: 1.1950726123050843
Energy: 1.1328091931661048
Energy: 1.1950726123045212
Energy: 1.3687700380250165
Energy: 1.1562638886898229
Energy: 1.3687700380250165
Energy: 1.156263888688697
Energy: 1.3687700380250165
Energy: 1.1562638886892598
Energy: 1.27195826577847
Energy: 1.1501856703171376
Energy: 1.27195826577847
Energy: 1.1501856703171376
Energy: 1.27195826577847
Energy: 1.1501856703182638

minimum gb energy = 1.1325548407289108 eV
minimum distance =  2.3085005361324 Angstroms
sigma value = 33


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

Energy: 0.020536265018897406
Energy: 0.9538654794496345
Energy: 0.020536265018897406
Energy: 0.9538654794501022
Energy: 0.020536265018897406
Energy: 0.9538654794501022
Energy: 0.021305661304077413
Energy: 0.42821870231783693
Energy: 0.021305661304077413
Energy: 0.42821870231783693
Energy: 0.021305661304077413
Energy: 0.42821870231783693
Energy: 1.3883832976793935
Energy: 0.4284593349980552
Energy: 1.3883832976803292
Energy: 0.4284593349980552
Energy: 1.3883832976798616
Energy: 0.4284593349980552
Energy: 0.02130566130360964
Energy: 0.42821870231783693
Energy: 0.021305661304077413
Energy: 0.42821870231783693
Energy: 0.021305661304077413
Energy: 0.42821870231783693

minimum gb energy = 0.020536265018897406 eV
minimum distance =  2.48058551160643 Angstroms
sigma value = 1