Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850998885929584
cohesive_energy=4.280334740105136
mass=55.845
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: 0.013296430121793247
Energy: 0.013566653847557153
Energy: 0.4530461511421319
Energy: 0.013566653847557153
Energy: 0.013296430121793247
Energy: 0.013566653847557153
Energy: 0.013566653847557153
Energy: 2.9154107055125817
Energy: 0.013566653847557153
Energy: 2.2208607209451565
Energy: 0.013566653847557153
Energy: 2.220860720945633
Energy: 0.4530461511421319
Energy: 0.013566653847557153
Energy: 0.013296430121793247
Energy: 0.013566653847557153
Energy: 0.4530461511421319
Energy: 0.013566653847557153
Energy: 0.013566653847557153
Energy: 2.2208607209451565
Energy: 0.013566653847557153
Energy: 2.2208607209451565
Energy: 0.013566653847557153
Energy: 2.8791960849945992
Energy: 0.013296430121793247
Energy: 0.013566653847557153
Energy: 0.4530461511421319
Energy: 0.013566653847557153
Energy: 0.013296430121793247
Energy: 0.013566653847557153
Energy: 0.013566653847557153
Energy: 2.2208607209451565
Energy: 0.013566653847557153
Energy: 2.8791960849945992
Energy: 0.013566653847557153
Energy: 2.2208607209451565

minimum gb energy = 0.013296430121793247 eV
minimum distance =  2.39822905563738 Angstroms
sigma value = 1


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

Energy: 1.0583622604306768
Energy: 1.1943714939862344
Energy: 1.0384405906346283
Energy: 1.194371493985021
Energy: 1.0583622604318903
Energy: 1.194371493985021
Energy: 1.0631447299156065
Energy: 1.0268700542676308
Energy: 1.06621729364846
Energy: 1.026870053829709
Energy: 1.0631447299156065
Energy: 1.026870054056559
Energy: 0.9664973341531816
Energy: 1.1461448444058384
Energy: 1.0617199028378226
Energy: 1.1461448444046247
Energy: 0.9664973341531816
Energy: 1.1461448444058384
Energy: 1.0827770530376015
Energy: 1.0715293265461001
Energy: 1.0148236383721385
Energy: 1.0715293265461001
Energy: 1.0827770530376015
Energy: 1.0715293265461001
Energy: 1.0869940442239583
Energy: 1.1945933195454812
Energy: 1.0718128709912067
Energy: 1.1945933195454812
Energy: 1.0869940442239583
Energy: 1.1945933195454812
Energy: 1.06308635391092
Energy: 1.1459688481764836
Energy: 0.9808515550025809
Energy: 1.1459688481752701
Energy: 1.06308635391092
Energy: 1.1459688481764836
Energy: 1.0683448633236414
Energy: 1.146318248409392
Energy: 0.9667081805962626
Energy: 1.146318248409392
Energy: 1.0683448633248551
Energy: 1.146318248409392
Energy: 1.0873378899369421
Energy: 1.1944136576642774
Energy: 0.9470991874745937
Energy: 1.1944136576642774
Energy: 1.0873378899393695
Energy: 1.1944136576642774
Energy: 1.0857028410692564
Energy: 1.0739738482888412
Energy: 1.0242898927918669
Energy: 1.0739738482876275
Energy: 1.0857028410692564
Energy: 1.0739738482888412
Energy: 1.0634668840119925
Energy: 1.1461998870507017
Energy: 0.9790159674083365
Energy: 1.1461998870507017
Energy: 1.0634668840119925
Energy: 1.1461998870507017
Energy: 1.0788760851586467
Energy: 1.068644099052083
Energy: 1.0636133236494545
Energy: 1.068644099052083
Energy: 1.0788760851586467
Energy: 1.068644099052083
Energy: 0.9489681241500124
Energy: 1.194639041000648
Energy: 0.9490047017953078
Energy: 1.194639041000648
Energy: 0.9489681241500124
Energy: 1.194639041000648
Energy: 1.063795017868477
Energy: 1.068644099052083
Energy: 0.9559163346659422
Energy: 1.0686440990532964
Energy: 1.063795017868477
Energy: 1.068644099052083
Energy: 0.9792010525002435
Energy: 1.1457680097079312
Energy: 1.063072954934911
Energy: 1.1457680097079312
Energy: 0.979201052499085
Energy: 1.1457680097079312
Energy: 1.024266460336056
Energy: 1.073994816616867
Energy: 1.0849756517844655
Energy: 1.073994816616867
Energy: 1.024266460336056
Energy: 1.0739948166180804
Energy: 0.9472293576058949
Energy: 1.1946780828197938
Energy: 1.0873895008074814
Energy: 1.1946780828197938
Energy: 0.9472293576058949
Energy: 1.1946780828197938
Energy: 0.9666850468937286
Energy: 1.1462255270369204
Energy: 1.0688842213866596
Energy: 1.1462255270369204
Energy: 0.9666850468937286
Energy: 1.1462255270369204
Energy: 0.9808698841316009
Energy: 1.1461868746322748
Energy: 1.0630048033568764
Energy: 1.1461868746322748
Energy: 0.9808698841303872
Energy: 1.1461868746322748
Energy: 1.1033686280078194
Energy: 1.1946710128897886
Energy: 1.0868435294242942
Energy: 1.1946710128897886
Energy: 1.1033686280078194
Energy: 1.1946710128897886
Energy: 1.0149805606589273
Energy: 1.071486998765017
Energy: 1.08289974568038
Energy: 1.071486998765017
Energy: 1.0149805606577136
Energy: 1.071486998765017
Energy: 1.0602335136601528
Energy: 1.1456532676041131
Energy: 0.9665057235887113
Energy: 1.1456532676041131
Energy: 1.06023351366258
Energy: 1.1456532676041131
Energy: 1.0660363450047958
Energy: 1.0254986091169178
Energy: 1.0631830120516716
Energy: 1.0254986091181313
Energy: 1.0660363450047958
Energy: 1.0254986091169178
Energy: 1.0701348890663311
Energy: 1.194371493985021
Energy: 1.058362260429463
Energy: 1.194371493985021
Energy: 1.0701348890663311
Energy: 1.194371493985021

minimum gb energy = 0.9470991874745937 eV
minimum distance =  2.30750764097965 Angstroms
sigma value = 33


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

Energy: 1.575737500117031
Energy: 1.2534222029364146
Energy: 1.0704470114524154
Energy: 1.2534222029364146
Energy: 1.575737500117031
Energy: 1.253422202937105
Energy: 1.1036306664285769
Energy: 1.2260714174729896
Energy: 1.1988776487403099
Energy: 1.2260714174729896
Energy: 1.1036306664278865
Energy: 1.2260714174729896
Energy: 1.0282825767265562
Energy: 1.2680867193203267
Energy: 1.1977408154816789
Energy: 1.2680867193203267
Energy: 1.0282825767258659
Energy: 1.2680867193203267
Energy: 1.1490549371113583
Energy: 1.1971316209959604
Energy: 1.2181790423449586
Energy: 1.1971316209959604
Energy: 1.1490549371113583
Energy: 1.1971316209959604
Energy: 1.1324798550253423
Energy: 1.2308472039290395
Energy: 1.187594067351184
Energy: 1.2308472039290395
Energy: 1.1324798550253423
Energy: 1.2308472039283491
Energy: 1.1342271689440986
Energy: 1.2256458830375274
Energy: 1.0434851282462922
Energy: 1.2256458830375274
Energy: 1.1342271689440986
Energy: 1.2256458830375274
Energy: 1.0946257753867779
Energy: 1.2258097215048187
Energy: 1.150980719985224
Energy: 1.2258097215041284
Energy: 1.0946257753867779
Energy: 1.2258097215048187
Energy: 1.058118726676328
Energy: 1.2257991677247582
Energy: 1.1123437549521313
Energy: 1.2257991677247582
Energy: 1.058118726676328
Energy: 1.2257991677247582
Energy: 1.0747896517188547
Energy: 1.150694729347921
Energy: 1.1605853548779266
Energy: 1.150694729347921
Energy: 1.0747896517195448
Energy: 1.150694729347921
Energy: 1.1057939607194591
Energy: 1.2706221199528958
Energy: 1.1154661611178258
Energy: 1.2706221199528958
Energy: 1.1057939607201495
Energy: 1.2706221199528958
Energy: 1.0948859719402417
Energy: 1.1634102503663533
Energy: 1.217168284790706
Energy: 1.1634102503663533
Energy: 1.094885971940932
Energy: 1.1634102503670434
Energy: 1.3097125970427947
Energy: 1.2424136831085089
Energy: 1.0735191042521885
Energy: 1.2424136831085089
Energy: 1.3097125970427947
Energy: 1.2424136831085089
Energy: 1.1959058560725633
Energy: 1.1699393572493388
Energy: 1.1190186951165777
Energy: 1.1699393572500292
Energy: 1.1959058560732536
Energy: 1.1699393572493388
Energy: 1.115751494591516
Energy: 1.267114219723454
Energy: 1.0648284640519483
Energy: 1.267114219723454
Energy: 1.115751494591516
Energy: 1.267114219723454
Energy: 1.183849393625302
Energy: 1.229403264811525
Energy: 1.1677119526084427
Energy: 1.229403264811525
Energy: 1.183849393625302
Energy: 1.229403264811525
Energy: 1.1846460043198876
Energy: 1.2415545637510021
Energy: 1.105597710482392
Energy: 1.2415545637510021
Energy: 1.1846460043198876
Energy: 1.2415545637510021
Energy: 1.1931957368377413
Energy: 1.2318683279767204
Energy: 1.1148957073917938
Energy: 1.2318683279767204
Energy: 1.1931957368377413
Energy: 1.2318683279767204
Energy: 1.194306171166384
Energy: 1.213668494407343
Energy: 1.2356255540850325
Energy: 1.213668494407343
Energy: 1.194306171166384
Energy: 1.213668494407343
Energy: 1.0434578673026007
Energy: 1.2259767388327762
Energy: 1.0681232373396436
Energy: 1.2259767388327762
Energy: 1.0434578673026007
Energy: 1.2259767388327762
Energy: 1.0982966048326732
Energy: 1.1505085062600429
Energy: 1.192456722549955
Energy: 1.1505085062600429
Energy: 1.0982966048326732
Energy: 1.1505085062593525
Energy: 1.3049602576776875
Energy: 1.2822538004436972
Energy: 1.0615965465443016
Energy: 1.2822538004430069
Energy: 1.3049602576769974
Energy: 1.2822538004430069
Energy: 1.0649693662012982
Energy: 1.126803852681553
Energy: 1.2190256399020782
Energy: 1.126803852681553
Energy: 1.0649693662026787
Energy: 1.126803852681553
Energy: 1.1145561950093348
Energy: 1.2307597458491661
Energy: 1.1881429104914076
Energy: 1.2307597458491661
Energy: 1.1145561950093348
Energy: 1.2307597458484756
Energy: 1.2168036030862965
Energy: 1.1988179937942034
Energy: 1.178475053187696
Energy: 1.198817993793513
Energy: 1.2168036030862965
Energy: 1.198817993793513
Energy: 1.1669121631877768
Energy: 1.242897965994525
Energy: 1.1978152634008747
Energy: 1.242897965994525
Energy: 1.1669121631877768
Energy: 1.242897965994525
Energy: 1.1406456681465746
Energy: 1.2339728787855744
Energy: 1.0735090775235128
Energy: 1.2339728787855744
Energy: 1.1406456681465746
Energy: 1.2339728787862647
Energy: 1.0994920768735446
Energy: 1.1821953670734837
Energy: 1.0724202314214073
Energy: 1.1821953670734837
Energy: 1.0994920768735446
Energy: 1.1821953670734837
Energy: 1.1670813703758718
Energy: 1.2430511632975612
Energy: 1.1827740092169012
Energy: 1.2430511632968708
Energy: 1.1670813703758718
Energy: 1.2430511632968708
Energy: 1.2136913808538952
Energy: 1.198682754938825
Energy: 1.1699346601318668
Energy: 1.198682754938825
Energy: 1.2136913808532048
Energy: 1.198682754938825
Energy: 1.1147787253731742
Energy: 1.2313002216544646
Energy: 1.1912500561017636
Energy: 1.231300221655155
Energy: 1.1147787253731742
Energy: 1.2313002216544646
Energy: 1.0843583449712388
Energy: 1.1268038526822433
Energy: 1.21800395335449
Energy: 1.126803852681553
Energy: 1.0843583449712388
Energy: 1.1268038526822433
Energy: 1.305115101143798
Energy: 1.2820309199421662
Energy: 1.0432364583489793
Energy: 1.2820309199421662
Energy: 1.3051151011444884
Energy: 1.2820309199421662
Energy: 1.0894388059515792
Energy: 1.2840204924612266
Energy: 1.1902692244687467
Energy: 1.2840204924612266
Energy: 1.0894388059515792
Energy: 1.2840204924612266
Energy: 1.0438901012434327
Energy: 1.2259822544830679
Energy: 1.1119620435855098
Energy: 1.2259822544823775
Energy: 1.0438901012441233
Energy: 1.2259822544823775
Energy: 1.1932818970332633
Energy: 1.2135155095810566
Energy: 1.2053729937009703
Energy: 1.2135155095810566
Energy: 1.1932818970332633
Energy: 1.2135155095803665
Energy: 1.1941216484011934
Energy: 1.231080008766145
Energy: 1.1149087229878873
Energy: 1.231080008766145
Energy: 1.1941216484011934
Energy: 1.231080008766145
Energy: 1.1838049575821499
Energy: 1.2416836180235384
Energy: 1.1357113812357873
Energy: 1.241683618022848
Energy: 1.1838049575828404
Energy: 1.2416836180235384
Energy: 1.1838520734473257
Energy: 1.2475139725312514
Energy: 1.2027619615766343
Energy: 1.2475139725319417
Energy: 1.1838520734473257
Energy: 1.2475139725319417
Energy: 1.1159068261267486
Energy: 1.2667266762188394
Energy: 1.0691211720184701
Energy: 1.266726676218149
Energy: 1.1159068261274387
Energy: 1.2667266762188394
Energy: 1.1923578563426094
Energy: 1.2309232273805182
Energy: 1.1283732298832578
Energy: 1.2309232273805182
Energy: 1.1923578563426094
Energy: 1.2309232273805182
Energy: 1.3097885711760056
Energy: 1.2424185444585112
Energy: 1.1521159995314665
Energy: 1.2424185444585112
Energy: 1.309788571176696
Energy: 1.2424185444585112

minimum gb energy = 1.0282825767258659 eV
minimum distance =  2.28031980718498 Angstroms
sigma value = 51


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

Energy: 1.4729152566076253
Energy: 1.3498885429419245
Energy: 1.2012203480673391
Energy: 1.3498885429403251
Energy: 1.4729152566076253
Energy: 1.3498885429419245
Energy: 1.133627318463279
Energy: 1.3070647720790465
Energy: 1.3420899761454623
Energy: 1.3070647720790465
Energy: 1.133627318463279
Energy: 1.3070647720790465
Energy: 1.1218286036679994
Energy: 1.2894581552011062
Energy: 1.3349280740571836
Energy: 1.2894581552011062
Energy: 1.1218286036679994
Energy: 1.2894581552011062
Energy: 1.1387164806218184
Energy: 1.2077912599073506
Energy: 1.3341282038589115
Energy: 1.2077912599073506
Energy: 1.1387164806218184
Energy: 1.2077912599073506
Energy: 1.141454449168888
Energy: 1.260708823795056
Energy: 1.3266779905544914
Energy: 1.260708823795056
Energy: 1.141454449168888
Energy: 1.260708823795056
Energy: 1.4063500461668028
Energy: 1.2050302307424974
Energy: 1.3505155073727624
Energy: 1.2050302307424974
Energy: 1.4063500461652032
Energy: 1.2050302307424974
Energy: 1.405965445335478
Energy: 1.2104741900845886
Energy: 1.2449556314017425
Energy: 1.2104741900829892
Energy: 1.405965445335478
Energy: 1.2104741900845886
Energy: 1.1384221000920323
Energy: 1.25952495660518
Energy: 1.103639599132807
Energy: 1.2595249566035807
Energy: 1.1384221000920323
Energy: 1.2595249566035807
Energy: 1.405266817687919
Energy: 1.358413882246123
Energy: 1.0350452667238503
Energy: 1.358413882246123
Energy: 1.405266817687919
Energy: 1.358413882246123
Energy: 1.1241584573456709
Energy: 1.2895307100936253
Energy: 1.1036968445781863
Energy: 1.2895307100936253
Energy: 1.1241584573456709
Energy: 1.2895307100936253
Energy: 1.3194900771016103
Energy: 1.2301091756921119
Energy: 1.3415286938734046
Energy: 1.2301091757113058
Energy: 1.3194900771016103
Energy: 1.2301091756777158
Energy: 1.4756504331492548
Energy: 1.3545446522288265
Energy: 1.350394820627722
Energy: 1.3545446522288265
Energy: 1.4756504331492548
Energy: 1.3545446522288265
Energy: 1.231889568163227
Energy: 1.307951966403304
Energy: 1.3358983176170371
Energy: 1.307951966403304
Energy: 1.231889568163227
Energy: 1.307951966403304
Energy: 1.123494438204873
Energy: 1.2910754846861094
Energy: 1.3495667831998401
Energy: 1.2910754846861094
Energy: 1.1234944382064727
Energy: 1.2910754846861094
Energy: 1.1330498961777844
Energy: 1.281618228322958
Energy: 1.3360643519681146
Energy: 1.281618228322958
Energy: 1.1330498961777844
Energy: 1.281618228322958
Energy: 1.1417179358067502
Energy: 1.261963092770371
Energy: 1.3491508878337115
Energy: 1.2619630927719705
Energy: 1.1417179358067502
Energy: 1.2619630927719705
Energy: 1.4468191653124083
Energy: 1.2794803273633188
Energy: 1.349489348528293
Energy: 1.2794803273633188
Energy: 1.4468191653124083
Energy: 1.2794803273633188
Energy: 1.4063218145964897
Energy: 1.351055924504066
Energy: 1.3427921357380648
Energy: 1.351055924504066
Energy: 1.4063218145964897
Energy: 1.351055924504066

minimum gb energy = 1.0350452667238503 eV
minimum distance =  2.28197592877812 Angstroms
sigma value = 19


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

Energy: 1.4610257657820558
Energy: 1.3406594778608685
Energy: 1.2705959504479387
Energy: 1.3406594778608685
Energy: 1.4610257657820558
Energy: 1.3406594778608685
Energy: 1.175618766269894
Energy: 1.3218506124638636
Energy: 1.2563425377553274
Energy: 1.3218506124638636
Energy: 1.175618766269894
Energy: 1.3218506124638636
Energy: 1.2247528067660296
Energy: 1.3306837333381358
Energy: 1.2106768131942276
Energy: 1.3306837333381358
Energy: 1.2247528067660296
Energy: 1.3306837333381358
Energy: 1.2494642782650192
Energy: 1.2948736312707674
Energy: 1.299258213415494
Energy: 1.2948736312698186
Energy: 1.2494642782640704
Energy: 1.2948736312707674
Energy: 1.2392961540821776
Energy: 1.3423315959415913
Energy: 1.249322476778921
Energy: 1.3423315959415913
Energy: 1.2392961540821776
Energy: 1.3423315959415913
Energy: 1.2991534641093054
Energy: 1.3509525234856965
Energy: 1.2402657179465484
Energy: 1.3509525234856965
Energy: 1.2991534641093054
Energy: 1.3509525234856965
Energy: 1.2995849291782102
Energy: 1.2951057728515858
Energy: 1.2496167319501812
Energy: 1.2951057728515858
Energy: 1.2995849291782102
Energy: 1.2951057728515858
Energy: 1.2113979989996555
Energy: 1.3428122283376287
Energy: 1.2248386150336859
Energy: 1.3428122283376287
Energy: 1.2113979989987067
Energy: 1.3428122283376287
Energy: 1.278834351846101
Energy: 1.3343141141575707
Energy: 1.1962832968984267
Energy: 1.3343141141575707
Energy: 1.278834351846101
Energy: 1.3343141141575707
Energy: 1.3173025068756197
Energy: 1.3126180334135553
Energy: 1.3832195563768437
Energy: 1.3126180334135553
Energy: 1.3173025068756197
Energy: 1.3126180334135553
Energy: 1.2563425377553274
Energy: 1.3218506124638636
Energy: 1.1942995609346605
Energy: 1.3218506124638636
Energy: 1.2563425377553274
Energy: 1.3218506124638636
Energy: 1.2106768131942276
Energy: 1.3306837333381358
Energy: 1.2249000903177776
Energy: 1.3306837333381358
Energy: 1.2106768131942276
Energy: 1.3306837333381358
Energy: 1.2915703794662836
Energy: 1.2948103835302134
Energy: 1.2494642782640704
Energy: 1.2948103835302134
Energy: 1.2915703794672324
Energy: 1.2948103835302134
Energy: 1.2748194572555673
Energy: 1.3425337316929988
Energy: 1.2392961540812288
Energy: 1.3425337316929988
Energy: 1.2748194572546185
Energy: 1.3425337316929988
Energy: 1.2341147708748021
Energy: 1.3509525234856965
Energy: 1.2991534641093054
Energy: 1.3509525234856965
Energy: 1.2341147708748021
Energy: 1.3509525234856965
Energy: 1.2543631422776527
Energy: 1.2951057728515858
Energy: 1.2995849291782102
Energy: 1.2951057728515858
Energy: 1.2543631422776527
Energy: 1.2951057728515858
Energy: 1.2248386150336859
Energy: 1.3428122283376287
Energy: 1.2119880087633663
Energy: 1.3428122283376287
Energy: 1.2248386150336859
Energy: 1.3428122283376287
Energy: 1.196283296897478
Energy: 1.3329654670309221
Energy: 1.278912593527938
Energy: 1.332965467031871
Energy: 1.196283296897478
Energy: 1.3329654670309221
Energy: 1.4610257657820558
Energy: 1.3406594778608685
Energy: 1.2705959504479387
Energy: 1.3406594778608685
Energy: 1.4610257657820558
Energy: 1.3406594778608685
Energy: 1.175618766269894
Energy: 1.3218506124638636
Energy: 1.2563425377562762
Energy: 1.3218506124638636
Energy: 1.175618766269894
Energy: 1.3218506124638636
Energy: 1.2247528067660296
Energy: 1.3306837333381358
Energy: 1.2106768131942276
Energy: 1.3306837333381358
Energy: 1.2247528067660296
Energy: 1.3306837333381358
Energy: 1.2494642782640704
Energy: 1.2948736312707674
Energy: 1.299258213415494
Energy: 1.2948736312698186
Energy: 1.2494642782640704
Energy: 1.2948736312707674
Energy: 1.2392961540821776
Energy: 1.3423315959415913
Energy: 1.2493224767779723
Energy: 1.3423315959415913
Energy: 1.2392961540812288
Energy: 1.3423315959415913
Energy: 1.2991534641093054
Energy: 1.3509525234856965
Energy: 1.2402657179465484
Energy: 1.3509525234856965
Energy: 1.2991534641093054
Energy: 1.3509525234856965
Energy: 1.2995849291782102
Energy: 1.2951057728515858
Energy: 1.2496167319501812
Energy: 1.2951057728515858
Energy: 1.2995849291782102
Energy: 1.2951057728515858
Energy: 1.2113979989987067
Energy: 1.3428122283376287
Energy: 1.2248386150336859
Energy: 1.3428122283376287
Energy: 1.2113979989987067
Energy: 1.3428122283376287
Energy: 1.278834351846101
Energy: 1.3343141141585193
Energy: 1.196283296897478
Energy: 1.3343141141575707
Energy: 1.278834351846101
Energy: 1.3343141141575707
Energy: 1.2753949237665805
Energy: 1.3126180334135553
Energy: 1.3832195563768437
Energy: 1.3126180334135553
Energy: 1.2753949237665805
Energy: 1.3126180334135553
Energy: 1.2563425377553274
Energy: 1.3218506124638636
Energy: 1.1942995609346605
Energy: 1.3218506124638636
Energy: 1.2563425377553274
Energy: 1.3218506124638636
Energy: 1.210676813193279
Energy: 1.3306837333381358
Energy: 1.2249000903177776
Energy: 1.3306837333381358
Energy: 1.210676813193279
Energy: 1.3306837333381358

minimum gb energy = 1.175618766269894 eV
minimum distance =  2.2706086173699 Angstroms
sigma value = 27


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

Energy: 1.2526968421364162
Energy: 1.2194310153071002
Energy: 1.4396175369779372
Energy: 1.2194310153075492
Energy: 1.2526968421359408
Energy: 1.2194310153075492
Energy: 1.250758683919314
Energy: 1.2196242536719453
Energy: 1.2872432329139425
Energy: 1.2196242536721826
Energy: 1.2507586839190763
Energy: 1.2196242536721826
Energy: 1.278986129068507
Energy: 1.4111387080941973
Energy: 1.2887514685150225
Energy: 1.4111387080937219
Energy: 1.2789861290687183
Energy: 1.4111387080937219
Energy: 1.2644131343791318
Energy: 1.221157990468058
Energy: 1.2867801087353792
Energy: 1.2211579904682954
Energy: 1.2644131343793696
Energy: 1.221157990468058
Energy: 1.2876064685741422
Energy: 1.2188133691153584
Energy: 1.2980850659803003
Energy: 1.2188133691153584
Energy: 1.2876064685739046
Energy: 1.2188133691151206
Energy: 1.2847474752213082
Energy: 1.410429304599681
Energy: 1.284009348581856
Energy: 1.4104293045994432
Energy: 1.2847474752213082
Energy: 1.4104293045994432
Energy: 1.2901767856344923
Energy: 1.2890735579058084
Energy: 1.2838243526238686
Energy: 1.289073557905333
Energy: 1.290176785634017
Energy: 1.289073557906046
Energy: 1.2647087961942922
Energy: 1.2215222133415264
Energy: 1.2879071249152125
Energy: 1.2215222133415264
Energy: 1.26470879619453
Energy: 1.2215222133415264
Energy: 1.2878743116992417
Energy: 1.2196551696564137
Energy: 1.2573894112314887
Energy: 1.2196551696566513
Energy: 1.2878743116992417
Energy: 1.2196551696568891
Energy: 1.2843093450093965
Energy: 1.476467038441608
Energy: 1.2843782759226186
Energy: 1.4764670384418457
Energy: 1.2843093450093965
Energy: 1.4764670384420835
Energy: 1.2872399071452636
Energy: 1.2195116409375775
Energy: 1.2878943754150665
Energy: 1.2195116409375775
Energy: 1.2872399071455012
Energy: 1.2195116409375775
Energy: 1.288314351578653
Energy: 1.2218184594160475
Energy: 1.2636010933643569
Energy: 1.2218184594160475
Energy: 1.2883143515791284
Energy: 1.221818459416285

minimum gb energy = 1.2188133691151206 eV
minimum distance =  2.27926107938311 Angstroms
sigma value = 9


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

Energy: 1.330108681573242
Energy: 1.361402627768933
Energy: 1.2755616506751306
Energy: 1.3614026277682802
Energy: 1.330108681573242
Energy: 1.361402627768933
Energy: 1.2057551266073803
Energy: 1.3346102706972718
Energy: 1.1904475108303991
Energy: 1.348673840187105
Energy: 1.2057551266067275
Energy: 1.3346102706972718
Energy: 1.1722649748039469
Energy: 1.3874062704077454
Energy: 1.167854444158569
Energy: 1.3874062704070924
Energy: 1.1722649748045997
Energy: 1.3874062704077454
Energy: 1.1861793603788404
Energy: 1.3524781257644307
Energy: 1.1934922949916493
Energy: 1.3524781257644307
Energy: 1.1861793603794935
Energy: 1.3524781257650837
Energy: 1.239321526406553
Energy: 1.3662823369129766
Energy: 1.1925628455552415
Energy: 1.3662823369129766
Energy: 1.239321526406553
Energy: 1.3662823369129766
Energy: 1.2189162337477326
Energy: 1.345037438529881
Energy: 1.1770285008340555
Energy: 1.3575750826207071
Energy: 1.2189162337483854
Energy: 1.3450374385292276
Energy: 1.2044477658945607
Energy: 1.3392925606678854
Energy: 1.1814688052893687
Energy: 1.3392925606678854
Energy: 1.2044477658945607
Energy: 1.3392925606678854
Energy: 1.2285203821180684
Energy: 1.335823797248836
Energy: 1.1882263429740578
Energy: 1.335823797248836
Energy: 1.2285203821180684
Energy: 1.335823797248836
Energy: 1.2047307435535666
Energy: 1.3890846623949236
Energy: 1.1831248924019364
Energy: 1.3890846623942705
Energy: 1.2047307435522605
Energy: 1.3890846623949236
Energy: 1.2174726150001443
Energy: 1.3493501705452255
Energy: 1.2496789032915707
Energy: 1.3493501705458788
Energy: 1.2174726150001443
Energy: 1.3493501705452255
Energy: 1.2011272300731202
Energy: 1.3606182856410935
Energy: 1.1708650540868473
Energy: 1.3606182856417466
Energy: 1.2011272300731202
Energy: 1.3606182856417466
Energy: 1.188131977523065
Energy: 1.365402503161896
Energy: 1.1507143952189636
Energy: 1.365402503161896
Energy: 1.188131977523065
Energy: 1.3654025031612431
Energy: 1.1930934334271575
Energy: 1.3798100770687796
Energy: 1.198465356449282
Energy: 1.3798100770687796
Energy: 1.1930934334278107
Energy: 1.3798100770694324
Energy: 1.26168813194604
Energy: 1.385533630224529
Energy: 1.2083178618617494
Energy: 1.385533630224529
Energy: 1.26168813194604
Energy: 1.385533630225182
Energy: 1.1877464191854934
Energy: 1.4027962381375496
Energy: 1.170889367283239
Energy: 1.4027962381375496
Energy: 1.1877464191848406
Energy: 1.4027962381375496
Energy: 1.1674019502689574
Energy: 1.3482694270816913
Energy: 1.1497329176040851
Energy: 1.348269427082344
Energy: 1.1674019502696105
Energy: 1.348269427082344
Energy: 1.2236953326583069
Energy: 1.3504220833939087
Energy: 1.218272755167294
Energy: 1.3504220833939087
Energy: 1.2236953326583069
Energy: 1.3504220833945615
Energy: 1.180775177363894
Energy: 1.4258269698059236
Energy: 1.1701246051337666
Energy: 1.4258269698065766
Energy: 1.180775177363241
Energy: 1.4258269698065766
Energy: 1.177932155018624
Energy: 1.385365768257578
Energy: 1.194066343782267
Energy: 1.385365768257578
Energy: 1.177932155019277
Energy: 1.385365768257578
Energy: 1.1855163540007858
Energy: 1.4218404993284486
Energy: 1.185536077133348
Energy: 1.4218404993284486
Energy: 1.1855163540007858
Energy: 1.4077586480546582
Energy: 1.1939010572051068
Energy: 1.3851925668962637
Energy: 1.1771443673624313
Energy: 1.3851925668962637
Energy: 1.1939010572057598
Energy: 1.3851925668962637
Energy: 1.1704411689314869
Energy: 1.4255120331367435
Energy: 1.181081593617657
Energy: 1.4255120331373965
Energy: 1.1704411689308338
Energy: 1.4255120331373965
Energy: 1.21845144755188
Energy: 1.3500916085082504
Energy: 1.2069686268404054
Energy: 1.3500916085075974
Energy: 1.21845144755188
Energy: 1.3500916085082504
Energy: 1.1500271801295838
Energy: 1.348257899649562
Energy: 1.1674418339850448
Energy: 1.348257899649562
Energy: 1.1500271801302369
Energy: 1.348257899649562
Energy: 1.1708044234134234
Energy: 1.4028845712656197
Energy: 1.187611817542979
Energy: 1.4028845712656197
Energy: 1.1708044234134234
Energy: 1.4028845712656197
Energy: 1.1967444953756974
Energy: 1.385296126368482
Energy: 1.2617341565828244
Energy: 1.385296126369135
Energy: 1.1967444953776565
Energy: 1.385296126369135
Energy: 1.198170410058734
Energy: 1.3791287972490105
Energy: 1.1931240382946033
Energy: 1.3791287972483575
Energy: 1.198170410058734
Energy: 1.3791287972490105
Energy: 1.1500521098033771
Energy: 1.3654945598084793
Energy: 1.1881135882626221
Energy: 1.3654945598084793
Energy: 1.1500521098033771
Energy: 1.3654945598084793
Energy: 1.1708782656081622
Energy: 1.360685905205731
Energy: 1.209369196226593
Energy: 1.3606859052050777
Energy: 1.1708782656081622
Energy: 1.360685905205731
Energy: 1.2494832090761128
Energy: 1.349530538362751
Energy: 1.216668866620932
Energy: 1.349530538362751
Energy: 1.2494832090761128
Energy: 1.349530538362751
Energy: 1.1926962689087213
Energy: 1.3890846623936175
Energy: 1.2042344975846333
Energy: 1.3890846623936175
Energy: 1.1926962689087213
Energy: 1.3890846623936175
Energy: 1.1881451136832264
Energy: 1.336125829056524
Energy: 1.228649705682399
Energy: 1.336125829056524
Energy: 1.1881451136825734
Energy: 1.336125829056524
Energy: 1.181297131470803
Energy: 1.339329446742845
Energy: 1.2044060101422858
Energy: 1.3393294467434977
Energy: 1.181297131470803
Energy: 1.3393294467434977
Energy: 1.177110758856713
Energy: 1.3555851152041292
Energy: 1.2189105738979584
Energy: 1.3555851152041292
Energy: 1.177110758857366
Energy: 1.3555851152041292
Energy: 1.1936970910122897
Energy: 1.3664310040065335
Energy: 1.2394996693900524
Energy: 1.3664310040065335
Energy: 1.1936970910129427
Energy: 1.3664310040065335
Energy: 1.1939421797895282
Energy: 1.3526445643956702
Energy: 1.1862986840505256
Energy: 1.3526445643950171
Energy: 1.1939421797888752
Energy: 1.3526445643950171
Energy: 1.1669935038590926
Energy: 1.3871224283305392
Energy: 1.1722433522808522
Energy: 1.3871224283305392
Energy: 1.1669935038590926
Energy: 1.3871224283305392
Energy: 1.1904888728070881
Energy: 1.3522349306678991
Energy: 1.1987279901063401
Energy: 1.352234930666593
Energy: 1.1904888728070881
Energy: 1.3522349306685522
Energy: 1.2335438047948473
Energy: 1.361402627768933
Energy: 1.330108681573242
Energy: 1.361402627768933
Energy: 1.2335438047941942
Energy: 1.3614026277682802
Energy: 1.1904475108303991
Energy: 1.3346102706972718
Energy: 1.2057551266080335
Energy: 1.3346102706972718
Energy: 1.1904475108297756
Energy: 1.3346102706972718
Energy: 1.167854444159222
Energy: 1.3874062704090515
Energy: 1.1722649748045997
Energy: 1.3874062704077454
Energy: 1.167854444159222
Energy: 1.3874062704077454
Energy: 1.1934922949916493
Energy: 1.3524781257650837
Energy: 1.1861793603801465
Energy: 1.3524781257644307
Energy: 1.193492294990996
Energy: 1.3524781257657368
Energy: 1.1925628455552415
Energy: 1.3662823369129766
Energy: 1.2393215264059
Energy: 1.3662823369129766
Energy: 1.1925628455545887
Energy: 1.3662823369129766

minimum gb energy = 1.1497329176040851 eV
minimum distance =  2.25945108901755 Angstroms
sigma value = 57


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

Energy: 1.0790148460966134
Energy: 1.0794718549868612
Energy: 1.1447558214284401
Energy: 1.0794718549868612
Energy: 1.0790148460966134
Energy: 1.0794718549868612
Energy: 0.9793178390876397
Energy: 1.3098727896778073
Energy: 1.0050296950058206
Energy: 1.3098727896763207
Energy: 0.9793178390876397
Energy: 1.3098727896763207
Energy: 0.9718727274758169
Energy: 1.2718838878863243
Energy: 1.0416495344901768
Energy: 1.2718838878863243
Energy: 0.9718727274758169
Energy: 1.2718838878863243
Energy: 1.0070587660062817
Energy: 1.0068217695145214
Energy: 1.00691215373172
Energy: 1.0068217695145214
Energy: 1.0070587660062817
Energy: 1.0068217695145214
Energy: 1.0076946594664773
Energy: 1.078670821884725
Energy: 1.0154439275120917
Energy: 1.078670821884725
Energy: 1.0076946594664773
Energy: 1.078670821884725
Energy: 1.0062168172243044
Energy: 1.0064050743894395
Energy: 0.9702046352532046
Energy: 1.0064050744934583
Energy: 1.0062168172243044
Energy: 1.0064050743196096
Energy: 1.0061567913698948
Energy: 1.0060667816668667
Energy: 0.9729281284595116
Energy: 1.0060667832864008
Energy: 1.0061567913698948
Energy: 1.0060667813563313
Energy: 1.0075475426998073
Energy: 1.078432629170953
Energy: 1.0068560748369417
Energy: 1.078432629170953
Energy: 1.0075475426998073
Energy: 1.078432629170953
Energy: 1.00721477062533
Energy: 1.0066894775105177
Energy: 1.049660356272657
Energy: 1.0066894767854284
Energy: 1.00721477062533
Energy: 1.0066894772103876
Energy: 0.9718966679117986
Energy: 1.2714817407458137
Energy: 1.041631096444757
Energy: 1.2714817407458137
Energy: 0.9718966679117986
Energy: 1.2714817407458137
Energy: 0.9791118057795117
Energy: 1.3098727896778073
Energy: 1.0067260935280857
Energy: 1.3098727896778073
Energy: 0.9791118057780253
Energy: 1.3098727896763207
Energy: 1.0790148460966134
Energy: 1.0794718549853746
Energy: 1.1430160049616043
Energy: 1.0794718549868612
Energy: 1.0790148460966134
Energy: 1.0794718549853746
Energy: 0.9793178390861532
Energy: 1.3098727896778073
Energy: 1.0050296950058206
Energy: 1.3098727896778073
Energy: 0.9793178390861532
Energy: 1.3098727896778073
Energy: 0.9718727274758169
Energy: 1.271883887884838
Energy: 1.0416495344901768
Energy: 1.2718838878863243
Energy: 0.9718727274758169
Energy: 1.2718838878863243
Energy: 1.0070587660062817
Energy: 1.0068217695145214
Energy: 1.00691215373172
Energy: 1.0068217695145214
Energy: 1.0070587660062817
Energy: 1.0068217695145214
Energy: 1.0076946594664773
Energy: 1.078670821884725
Energy: 1.0154439275076321
Energy: 1.078670821884725
Energy: 1.0076946594664773
Energy: 1.0786708218832384
Energy: 1.0062168172243044
Energy: 1.0064050743017723
Energy: 0.9702046352844202
Energy: 1.0064050741621122
Energy: 1.0062168172243044
Energy: 1.0064050745157214
Energy: 1.0061567913698948
Energy: 1.0060667823756047
Energy: 0.9729281284580251
Energy: 1.006066782298343
Energy: 1.0061567913698948
Energy: 1.0060667813132578
Energy: 1.0075475427012937
Energy: 1.078432629170953
Energy: 1.0068560748369417
Energy: 1.078432629170953
Energy: 1.0075475426998073
Energy: 1.078432629170953

minimum gb energy = 0.9702046352532046 eV
minimum distance =  2.27496109984415 Angstroms
sigma value = 11


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

Energy: 0.9294880424171327
Energy: 1.3300145918737274
Energy: 1.0246949117357569
Energy: 1.3300145918737274
Energy: 0.9294880424171327
Energy: 1.3300145918737274
Energy: 0.9007147795397314
Energy: 1.1061414106712977
Energy: 0.8923580870168246
Energy: 1.1061414106680312
Energy: 0.9007147795397314
Energy: 1.10614141065932
Energy: 0.938953596306521
Energy: 0.9398495451244089
Energy: 0.9603219631343152
Energy: 0.9398495451244089
Energy: 0.938953596306521
Energy: 0.9398495451254979
Energy: 0.9049152696831791
Energy: 0.9192652507400056
Energy: 0.8924581248291807
Energy: 0.9192652507410946
Energy: 0.9049152696831791
Energy: 0.9192652507421833
Energy: 0.8929506852104194
Energy: 1.3165680120238954
Energy: 0.9384702016998899
Energy: 1.3165680120238954
Energy: 0.8929506852104194
Energy: 1.3165680120238954
Energy: 0.9183558394500412
Energy: 1.2754023939332033
Energy: 0.8920191398469611
Energy: 1.2754023939332033
Energy: 0.9183558394500412
Energy: 1.2754023939332033
Energy: 0.9203809811013348
Energy: 0.940294472080985
Energy: 0.8994968228757672
Energy: 0.940294472079896
Energy: 0.9203809811013348
Energy: 0.9402944720788072
Energy: 0.9255172610906319
Energy: 1.3149457623591996
Energy: 0.8974343770682355
Energy: 1.3149457623581107
Energy: 0.9255172610895429
Energy: 1.3149457623591996
Energy: 0.9246708307040126
Energy: 1.31846220857901
Energy: 0.901098486482972
Energy: 1.31846220857901
Energy: 0.9246708307029239
Energy: 1.31846220857901
Energy: 0.9186679375445912
Energy: 0.9437153746353333
Energy: 0.9029007386844738
Energy: 0.9437153746353333
Energy: 0.9186679375445912
Energy: 0.9437153746342443
Energy: 0.9197193965046956
Energy: 1.2768998311709887
Energy: 0.8993279855404976
Energy: 1.2768998311709887
Energy: 0.9197193965046956
Energy: 1.2768998311698996
Energy: 0.893099198326186
Energy: 1.2986380563956867
Energy: 0.8928282387917778
Energy: 1.2986380563956867
Energy: 0.893099198326186
Energy: 1.2986380563945978
Energy: 0.9232606137898629
Energy: 0.9186111340505988
Energy: 0.9136467699666821
Energy: 0.91861113404951
Energy: 0.9232606137898629
Energy: 0.91861113404951
Energy: 0.9396117309572483
Energy: 0.942060265834032
Energy: 0.9210276739520623
Energy: 0.942060265834032
Energy: 0.9396117309572483
Energy: 0.9420602658351209
Energy: 0.8997258397205741
Energy: 0.9918747150812126
Energy: 0.9001115073564304
Energy: 0.9918747150779461
Energy: 0.8997258397194852
Energy: 0.9918747154164338
Energy: 0.9303385995388003
Energy: 1.2989052735845887
Energy: 0.9320448711199525
Energy: 1.2989052735834998
Energy: 0.9303385995388003
Energy: 1.2989052735845887
Energy: 0.9054628116309605
Energy: 1.106216269323866
Energy: 0.9125770509518445
Energy: 1.1062162693249549
Energy: 0.9054628116320494
Energy: 1.1062162693249549
Energy: 0.9402449506088195
Energy: 0.9427108075913256
Energy: 0.9371580305842441
Energy: 0.9427108075913256
Energy: 0.9402449506088195
Energy: 0.9427108075913256
Energy: 0.9056507954221218
Energy: 0.9191841373922881
Energy: 0.8994410458736412
Energy: 0.9191841373933768
Energy: 0.9056507954221218
Energy: 0.9191841373944658
Energy: 0.8926143763993375
Energy: 1.3033564530527129
Energy: 0.9226507039324922
Energy: 1.3033564530527129
Energy: 0.8926143763993375
Energy: 1.3033564530527129
Energy: 0.9790730781030973
Energy: 1.2721207262295022
Energy: 0.8921668713561473
Energy: 1.2721207262295022
Energy: 0.9790730781030973
Energy: 1.2721207262295022
Energy: 0.9190418683544668
Energy: 0.9403027798622201
Energy: 0.8972924606164031
Energy: 0.9403027798578647
Energy: 0.9190418683544668
Energy: 0.9403027798567758
Energy: 0.9270215363829324
Energy: 1.297857459750532
Energy: 0.9414435982913546
Energy: 1.297857459749443
Energy: 0.9270215363807548
Energy: 1.297857459750532
Energy: 0.8928917420594652
Energy: 1.3081822152427
Energy: 0.8926852605811998
Energy: 1.3081822152427
Energy: 0.8928917420594652
Energy: 1.3081822152427
Energy: 0.9196119229489257
Energy: 0.9443910948873173
Energy: 0.8925167857241385
Energy: 0.9443910948873173
Energy: 0.9196119229489257
Energy: 0.9443910948840507
Energy: 0.918445656712119
Energy: 1.2969919276828994
Energy: 0.8969183242486882
Energy: 1.2969919276839879
Energy: 0.918445656713208
Energy: 1.2969919276828994

minimum gb energy = 0.8920191398469611 eV
minimum distance =  2.30713510816447 Angstroms
sigma value = 41


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

Energy: 1.3471815776295086
Energy: 1.2224499521063872
Energy: 0.9584323139324982
Energy: 1.2224499521055292
Energy: 1.3471815776295086
Energy: 1.2224499521055292
Energy: 0.8125575209132541
Energy: 1.0191116372428222
Energy: 0.8121022166506284
Energy: 1.0191116372436806
Energy: 0.8125575209269854
Energy: 1.0191116372428222
Energy: 0.8241452755074876
Energy: 1.1565154069762165
Energy: 0.8903967759053509
Energy: 1.156515406977075
Energy: 0.8241452755074876
Energy: 1.1565154069762165
Energy: 0.8304637265546917
Energy: 0.8490692741457603
Energy: 0.8112967205284096
Energy: 0.8490692741457603
Energy: 0.8304637265564081
Energy: 0.8490692741449021
Energy: 0.8415118055897651
Energy: 0.8419835389531443
Energy: 0.8669202062912659
Energy: 0.8419835389522861
Energy: 0.8415118055897651
Energy: 0.8419835389522861
Energy: 0.8488713512048969
Energy: 1.1348429838075325
Energy: 0.8115540291106714
Energy: 1.1348429838075325
Energy: 0.8488713512048969
Energy: 1.1348429838075325
Energy: 0.8117335443239867
Energy: 1.1563995700950738
Energy: 0.8154926029852968
Energy: 1.1563995700950738
Energy: 0.8117335443239867
Energy: 1.1563995700950738
Energy: 0.9176386647900494
Energy: 1.1550054365507954
Energy: 0.8028809940577493
Energy: 1.1550054365507954
Energy: 0.9176386647900494
Energy: 1.1550054365507954
Energy: 0.8548305239507734
Energy: 0.842210948922156
Energy: 0.9903270258534688
Energy: 0.842210948922156
Energy: 0.8548305239499152
Energy: 0.842210948922156
Energy: 0.9644356748987767
Energy: 1.1538449974273237
Energy: 0.8057860106398526
Energy: 1.1538449974273237
Energy: 0.9644356748987767
Energy: 1.1538449974273237
Energy: 0.8649297226648991
Energy: 1.157480232484242
Energy: 0.9307231108344877
Energy: 1.157480232484242
Energy: 0.8649297226648991
Energy: 1.157480232484242
Energy: 0.849525439551962
Energy: 1.1781592049044924
Energy: 0.8027601764664737
Energy: 1.1757206976351697
Energy: 0.849525439551962
Energy: 1.1781592049044924
Energy: 0.8491054721078329
Energy: 1.1426465688072343
Energy: 0.9882344510670035
Energy: 1.1426465688080925
Energy: 0.8491054721086914
Energy: 1.1426465688072343
Energy: 0.8114163639666585
Energy: 1.1542881565559622
Energy: 0.8116566959668263
Energy: 1.1542881565559622
Energy: 0.8114163639666585
Energy: 1.1542881565559622
Energy: 0.849483733279454
Energy: 1.1367838644981356
Energy: 0.8150443084080726
Energy: 1.1367838644981356
Energy: 0.8494837332785958
Energy: 1.1367838644981356
Energy: 0.843274475467469
Energy: 1.1774559461916942
Energy: 0.811893127519708
Energy: 1.1774559461916942
Energy: 0.843274475467469
Energy: 1.1774559461916942
Energy: 0.8115474373256203
Energy: 1.1394905365761108
Energy: 0.8552564396660698
Energy: 1.1394905365761108
Energy: 0.8115474373256203
Energy: 1.1394905365761108
Energy: 0.8260942173902487
Energy: 1.1545472100025167
Energy: 0.8490254360641328
Energy: 1.1545472100025167
Energy: 0.826094217391107
Energy: 1.1545472100025167
Energy: 0.8125323105560417
Energy: 0.9193667836343513
Energy: 0.8151712270295094
Energy: 0.9193667838059151
Energy: 0.8125323099426953
Energy: 0.919366783826512
Energy: 1.3373408123427366
Energy: 1.1780800087499625
Energy: 0.9648069777594596
Energy: 1.1780800087499625
Energy: 1.3373408123418784
Energy: 1.1780800087499625
Energy: 0.8343022712863175
Energy: 0.9180484689978158
Energy: 0.8415412054051067
Energy: 0.9180484689969576
Energy: 0.8343022712734444
Energy: 0.9180484689978158
Energy: 0.8258934005998665
Energy: 1.1543810987266439
Energy: 0.85050194935676
Energy: 1.1543810987266439
Energy: 0.8258934005990082
Energy: 1.1543810987266439
Energy: 0.8307726018470329
Energy: 0.8490304192216827
Energy: 0.8148818130893765
Energy: 0.8490304192225409
Energy: 0.8307726018470329
Energy: 0.8490304192216827
Energy: 0.8433187425060277
Energy: 1.0275734060760078
Energy: 0.8502783836318188
Energy: 1.0275734060751496
Energy: 0.8433187425060277
Energy: 1.0275734060760078
Energy: 0.8491174938089621
Energy: 1.133496785389145
Energy: 0.8487158488790846
Energy: 1.133496785389145
Energy: 0.8491174938089621
Energy: 1.133496785389145
Energy: 0.8113881196602974
Energy: 1.0273945381557001
Energy: 0.8121692457931203
Energy: 1.0273945381557001
Energy: 0.8113881196602974
Energy: 1.0273945381557001
Energy: 0.9182509378518067
Energy: 1.1534217230156953
Energy: 0.8211383459490748
Energy: 1.1534217230156953
Energy: 0.9182509378518067
Energy: 1.1534217230156953
Energy: 0.8497380215537227
Energy: 1.0344485590638814
Energy: 0.9349870566614025
Energy: 1.0344485590638814
Energy: 0.8497380215537227
Energy: 1.0344485590638814
Energy: 0.8492563008533343
Energy: 1.1536533582511814
Energy: 1.0527863727621305
Energy: 1.1536533582511814
Energy: 0.8492563008533343
Energy: 1.1536533582511814
Energy: 0.8118562578302447
Energy: 1.1510172488227381
Energy: 0.8219760333200954
Energy: 1.1510172488227381
Energy: 0.8118562578302447
Energy: 1.1510172488227381
Energy: 0.8546938463761988
Energy: 1.1534683733510915
Energy: 0.8227446086382689
Energy: 1.1534683733510915
Energy: 0.8546938463761988
Energy: 1.1534683733510915
Energy: 0.8496802633331222
Energy: 1.1582912219512898
Energy: 0.8128492154158873
Energy: 1.1582912219512898
Energy: 0.8496802633331222
Energy: 1.1582912219512898
Energy: 0.8152173148321383
Energy: 1.1533295688939078
Energy: 0.8489846258993804
Energy: 1.1533295688939078
Energy: 0.8152173148321383
Energy: 1.1533295688939078

minimum gb energy = 0.8027601764664737 eV
minimum distance =  2.30861045453339 Angstroms
sigma value = 33


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

Energy: 1.084661698587915
Energy: 0.9994158355860837
Energy: 0.8463259193783454
Energy: 0.9994158355854813
Energy: 1.084661698587915
Energy: 0.9994158355860837
Energy: 1.6159066427895417
Energy: 0.7862232732581036
Energy: 0.7290307944893253
Energy: 0.7862232732581036
Energy: 1.6159066427895417
Energy: 0.786223273258706
Energy: 1.0761704452096923
Energy: 1.0422254353281115
Energy: 0.7943431844164011
Energy: 1.0422254353281115
Energy: 1.0761704452096923
Energy: 1.0422254353281115
Energy: 1.4729047965546747
Energy: 0.75121260328954
Energy: 0.7291795737735601
Energy: 0.75121260328954
Energy: 1.4729047965552768
Energy: 0.75121260328954
Energy: 0.7288481333055484
Energy: 0.985713138322509
Energy: 0.7440617686447477
Energy: 0.9857131383219065
Energy: 0.7288481333055484
Energy: 0.985713138322509
Energy: 0.7226958410148355
Energy: 0.9777125602246102
Energy: 0.7290750895331121
Energy: 0.9777125602246102
Energy: 0.7226958346851033
Energy: 0.9777125602246102
Energy: 0.7276955073521031
Energy: 0.9803270171293731
Energy: 0.7222508705954302
Energy: 0.9803270171293731
Energy: 0.7276955073521031
Energy: 0.9803270171293731
Energy: 0.9530847761332524
Energy: 0.9788910623008359
Energy: 0.7221939465175204
Energy: 0.9788910623008359
Energy: 0.9530847761332524
Energy: 0.9788910623008359
Energy: 0.7142412814068301
Energy: 0.9858235842808643
Energy: 0.8500242961152671
Energy: 0.9858235842808643
Energy: 0.7142412814068301
Energy: 0.9858235842808643
Energy: 0.899457562745815
Energy: 0.9843986669469994
Energy: 0.8919261572053984
Energy: 0.9843986669469994
Energy: 0.8994575627452126
Energy: 0.9843986669469994
Energy: 0.7209339935004947
Energy: 0.9806046201332835
Energy: 0.891428811141912
Energy: 0.9806046201332835
Energy: 0.7209339935004947
Energy: 0.9806046201338857
Energy: 0.7885102278593663
Energy: 0.9974803150514159
Energy: 0.8965095497018962
Energy: 0.9974803150520181
Energy: 0.7885102280225348
Energy: 0.9974803150514159
Energy: 0.8869022371857895
Energy: 0.9858239854318753
Energy: 1.0934490847978715
Energy: 0.9858239854318753
Energy: 0.8869022371857895
Energy: 0.9858239854318753
Energy: 0.9002503192151291
Energy: 0.9960046088453349
Energy: 1.2028692055479029
Energy: 0.9960046088453349
Energy: 0.9002503192157314
Energy: 0.9960046088453349
Energy: 0.9008097177995844
Energy: 0.9831268971622099
Energy: 1.2032532039294221
Energy: 0.9831268971622099
Energy: 0.9008097177995844
Energy: 0.9831268971622099
Energy: 0.8933644666101195
Energy: 0.9988563890684249
Energy: 0.8955843308651025
Energy: 0.9988563890684249
Energy: 0.8933644666101195
Energy: 0.998856389069027
Energy: 0.8871055682936505
Energy: 0.9873021085672209
Energy: 1.0941739991095072
Energy: 0.9873021085678232
Energy: 0.8871055682930482
Energy: 0.9873021085678232
Energy: 0.721754918525183
Energy: 0.9958794716562377
Energy: 0.8909087918151655
Energy: 0.9958794716562377
Energy: 0.721754918525183
Energy: 0.9958794716562377
Energy: 0.9006379019268165
Energy: 0.985409402265316
Energy: 0.884913524197808
Energy: 0.9854094022659182
Energy: 0.9006379019262141
Energy: 0.985409402265316
Energy: 0.7153367410770518
Energy: 0.9980993650147276
Energy: 0.7225603289464725
Energy: 0.9980993650147276
Energy: 0.7153367410776542
Energy: 0.9980993650147276
Energy: 0.8871693147578388
Energy: 0.9873127509956975
Energy: 0.8062985083661518
Energy: 0.9873127509956975
Energy: 0.8871693147578388
Energy: 0.9873127509956975
Energy: 0.7323388768823861
Energy: 0.995793766506347
Energy: 0.729586423244217
Energy: 0.995793766506347
Energy: 0.7323388768823861
Energy: 0.995793766506347
Energy: 0.7215306694414008
Energy: 0.99800286352452
Energy: 0.7213452284950008
Energy: 0.9980028635239176
Energy: 0.7215306709928155
Energy: 0.9980028635251224
Energy: 0.7341091006971746
Energy: 0.997853480474546
Energy: 0.7288085164678045
Energy: 0.9978534804751483
Energy: 0.7341091006965723
Energy: 0.9978534804751483
Energy: 1.1966996366424878
Energy: 0.985576307379621
Energy: 0.8514011342304802
Energy: 0.9855763073802233
Energy: 1.19669963664309
Energy: 0.9855763073802233
Energy: 1.0720492671327164
Energy: 0.9956234429886082
Energy: 0.7492083921500864
Energy: 0.9956234429886082
Energy: 1.0720492671327164
Energy: 0.9956234429886082
Energy: 1.4721749245981695
Energy: 0.8725462810282868
Energy: 0.7211945904106059
Energy: 0.8725462810288892
Energy: 1.4721749245981695
Energy: 0.8725462810282868
Energy: 1.0818757894721784
Energy: 0.9984121772759328
Energy: 0.8162811367331153
Energy: 0.9984121772759328
Energy: 1.0818757894721784
Energy: 0.9984121772765353
Energy: 1.3361377730621269
Energy: 0.9793276289545418
Energy: 0.8021504943143142
Energy: 0.9793276289545418
Energy: 1.3361377730621269
Energy: 0.979327628955144
Energy: 1.0721967041931266
Energy: 0.9956723710035915
Energy: 0.7730670447648021
Energy: 0.9956723710035915
Energy: 1.0721967041925244
Energy: 0.9956723710041937
Energy: 1.112760739758374
Energy: 0.7422783089344402
Energy: 0.7217061876805764
Energy: 0.7422783089837741
Energy: 1.1127607402833604
Energy: 0.7422783090265374
Energy: 0.7332974352302286
Energy: 0.9815249541441228
Energy: 0.8156958204795722
Energy: 0.9815249541441228
Energy: 0.7332974352308309
Energy: 0.9815249541441228
Energy: 0.8126442808439099
Energy: 0.9764672306578677
Energy: 0.7147393454342221
Energy: 0.9764672306572654
Energy: 0.8126442808433075
Energy: 0.9764672306572654
Energy: 0.7317834321970302
Energy: 0.9766209279008945
Energy: 0.8224729211018608
Energy: 0.9766209279002921
Energy: 0.731783432196428
Energy: 0.9766209279002921
Energy: 0.8228370663413155
Energy: 0.9767038143004786
Energy: 0.7317586298452496
Energy: 0.9767038143004786
Energy: 0.8228370663401109
Energy: 0.9767038143004786
Energy: 0.7147298999334084
Energy: 0.9764066476647131
Energy: 0.8129141474385027
Energy: 0.9764066476647131
Energy: 0.7147298999340107
Energy: 0.9764066476641108
Energy: 0.816014465288442
Energy: 0.9815560571321461
Energy: 0.733403526305201
Energy: 0.9815560571321461
Energy: 0.8160144652878396
Energy: 0.9815560571315438
Energy: 0.7217865246935747
Energy: 0.7453856502085655
Energy: 1.1128971703564563
Energy: 0.7453856502091677
Energy: 0.7217865246935747
Energy: 0.7453856502073608
Energy: 0.7730670447654046
Energy: 0.9957586840737207
Energy: 1.0720096745110907
Energy: 0.9957586840737207
Energy: 0.7730670447660069
Energy: 0.9957586840737207
Energy: 0.8923868160439137
Energy: 0.9790299088932495
Energy: 1.3365177584412016
Energy: 0.9790299088938518
Energy: 0.8923868160433115
Energy: 0.9790299088938518
Energy: 0.741367398554966
Energy: 0.9984387100998102
Energy: 1.0819551778201018
Energy: 0.9984387100998102
Energy: 0.7413673985561705
Energy: 0.9984387100998102
Energy: 0.7210133097033122
Energy: 0.8723691239847906
Energy: 1.4720911320947474
Energy: 0.8723691239841883
Energy: 0.7210133097027098
Energy: 0.8723691239841883
Energy: 0.7490771054679791
Energy: 0.9958671327603035
Energy: 1.0722325393491432
Energy: 0.9958671327603035
Energy: 0.7490771054673768
Energy: 0.9958671327603035
Energy: 0.8916547396689855
Energy: 0.9856054721997645
Energy: 1.1967820150321906
Energy: 0.9856054722003665
Energy: 0.8916547396683832
Energy: 0.9856054722003665
Energy: 0.7288316974393579
Energy: 0.9981189136452125
Energy: 0.7341651864930994
Energy: 0.9981189136446101
Energy: 0.7288316974393579
Energy: 0.9981189136446101
Energy: 0.7213472921383981
Energy: 0.9980028635239176
Energy: 0.7225976159553245
Energy: 0.99800286352452
Energy: 0.7213472921383981
Energy: 0.9980028635233154
Energy: 0.7291755675289187
Energy: 0.9963330902509089
Energy: 0.7322077056068774
Energy: 0.9963330902515111
Energy: 0.7291755675283162
Energy: 0.9963330902515111

minimum gb energy = 0.7142412814068301 eV
minimum distance =  2.31459723232518 Angstroms
sigma value = 67


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

Energy: 0.19044038101517335
Energy: 0.1910420306735153
Energy: 0.6308180523974357
Energy: 0.19104203067310363
Energy: 0.19044038101517335
Energy: 0.19104203067310363
Energy: 0.20304924078447237
Energy: 0.7233880092460484
Energy: 0.5044771425495811
Energy: 0.7233880092460484
Energy: 0.20304924078488407
Energy: 0.7233880092456367
Energy: 0.19044038101517335
Energy: 0.1910420306735153
Energy: 0.6308180523970242
Energy: 0.1910420306735153
Energy: 0.19044038101517335
Energy: 0.1910420306735153
Energy: 0.20304924078488407
Energy: 0.7233880092456367
Energy: 0.5044771425495811
Energy: 0.7233880092456367
Energy: 0.20304924078447237
Energy: 0.7233880092456367
Energy: 0.19044038101517335
Energy: 0.1910420306735153
Energy: 1.2366630578447209
Energy: 0.1910420306735153
Energy: 0.19044038101517335
Energy: 0.1910420306735153
Energy: 0.20304924078488407
Energy: 0.7233880092460484
Energy: 0.5044771425495811
Energy: 0.7233880092456367
Energy: 0.20304924078447237
Energy: 0.7233880092456367
Energy: 0.19044038101517335
Energy: 0.1910420306735153
Energy: 1.2077610090890558
Energy: 0.1910420306735153
Energy: 0.19044038101517335
Energy: 0.1910420306735153

minimum gb energy = 0.19044038101517335 eV
minimum distance =  2.42287033441165 Angstroms
sigma value = 3


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

Energy: 1.2544465316863211
Energy: 0.978026535899358
Energy: 0.863662758805974
Energy: 0.978026535899358
Energy: 1.2544465316863211
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Energy: 0.9289277639367416
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Energy: 0.9289277639372895
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Energy: 1.1815594469634911
Energy: 0.9371433955344864
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Energy: 0.9200909505512447
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Energy: 0.6960662141463848
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Energy: 0.8970338147793537
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Energy: 0.6985990906829441
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Energy: 0.9126953464941268
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Energy: 0.8803918828033447
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Energy: 0.92184276647417
Energy: 0.942220776493624
Energy: 0.898923551823758
Energy: 0.9422207764941717
Energy: 0.7006277889344092
Energy: 0.8871059213802868
Energy: 1.1234368384618323
Energy: 0.8871059213808346
Energy: 0.7006277889344092
Energy: 0.8871059213802868
Energy: 0.7029764411801508
Energy: 0.9142554130348812
Energy: 0.937875504073104
Energy: 0.9142554130343334
Energy: 0.7029764411806985
Energy: 0.9142554130354291
Energy: 0.694547460292388
Energy: 0.9089254165545627
Energy: 1.1269840059144935
Energy: 0.9089254165545627
Energy: 0.694547460292388
Energy: 0.9089254165545627
Energy: 0.7114002158846109
Energy: 0.9512087036667545
Energy: 1.2116488708071071
Energy: 0.9512087036667545
Energy: 0.711400215884063
Energy: 0.9512087036673024
Energy: 0.7003847012498804
Energy: 0.7288440847874915
Energy: 1.2605754310313715
Energy: 0.7288440847809181
Energy: 0.7003847012504282
Energy: 0.7288440847748925
Energy: 0.7007200735835655
Energy: 0.9519531113017802
Energy: 1.2333105226951004
Energy: 0.9519531113023281
Energy: 0.7007200735830178
Energy: 0.9519531113023281
Energy: 0.6947284295858911
Energy: 0.8068279866127537
Energy: 1.2731739225923349
Energy: 0.8068279866133014
Energy: 0.694728429586439
Energy: 0.8068279866127537
Energy: 0.7173227554440016
Energy: 0.9524847425057503
Energy: 1.2117522042269557
Energy: 0.9524847425057503
Energy: 0.7173227554445495
Energy: 0.9524847425062981
Energy: 0.7006346154464039
Energy: 0.6990152421591419
Energy: 1.2608201366501388
Energy: 0.6990152421580464
Energy: 0.7006346154464039
Energy: 0.6990152421591419
Energy: 0.6997973475410453
Energy: 0.9126940404476515
Energy: 0.9383050027433969
Energy: 0.9126940404471038
Energy: 0.6997973475410453
Energy: 0.9126940404471038
Energy: 0.6950758034435017
Energy: 0.8022869238966094
Energy: 0.9372280225529565
Energy: 0.8022869238977048
Energy: 0.6950758034440495
Energy: 0.8022869238982526
Energy: 0.8873397456864418
Energy: 0.9353174801707004
Energy: 0.9229456772558897
Energy: 0.9353174801707004
Energy: 0.8873397456864418
Energy: 0.9353174801685092

minimum gb energy = 0.694547460292388 eV
minimum distance =  2.30873701466474 Angstroms
sigma value = 81


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

Energy: 1.1908169043471957
Energy: 1.1119450536233064
Energy: 0.9679076625692293
Energy: 1.1119450536233064
Energy: 1.1908169043471957
Energy: 1.1119450536233064
Energy: 1.3948273910895497
Energy: 0.8307243917102207
Energy: 0.7642622014025884
Energy: 0.8307243917102207
Energy: 1.3948273910903013
Energy: 0.8307243917102207
Energy: 1.1527484559184815
Energy: 1.0581092035010713
Energy: 0.9458877296148247
Energy: 1.0581092035010713
Energy: 1.1527484559184815
Energy: 1.0581092035010713
Energy: 1.0476398196378556
Energy: 0.779614547842314
Energy: 0.7642414461961375
Energy: 0.779614547842314
Energy: 1.0476398196378556
Energy: 0.779614547842314
Energy: 0.7757115599689723
Energy: 1.0101481763145905
Energy: 0.8632174208545622
Energy: 1.0101481763145905
Energy: 0.7757115599689723
Energy: 1.0101481763145905
Energy: 0.906677941156538
Energy: 1.032984389758404
Energy: 0.7618966232343591
Energy: 1.0329843897591555
Energy: 0.9066779411557861
Energy: 1.032984389758404
Energy: 0.7601213046187638
Energy: 1.0253422177116454
Energy: 0.7630743564037096
Energy: 1.0253422177116454
Energy: 0.760121304618012
Energy: 1.0253422177116454
Energy: 0.7774578913578721
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Energy: 0.7769218256662044
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Energy: 0.7715089036594556
Energy: 0.7706932864490699
Energy: 1.1123567677764883
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Energy: 0.9200097550821182
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Energy: 0.7770128116997916
Energy: 1.0627359670771765
Energy: 1.1788926535273687
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Energy: 0.7770128116997916
Energy: 1.0627359670771765
Energy: 0.7711010736665097
Energy: 1.0357857486873256
Energy: 1.0589376062613793
Energy: 1.0357857486873256
Energy: 0.7711010736665097
Energy: 1.0357857486880777
Energy: 0.786673612676568
Energy: 1.053980542812537
Energy: 1.0677507432545037
Energy: 1.0539805428117854
Energy: 0.786673612676568
Energy: 1.053980542812537
Energy: 0.7871734741663996
Energy: 1.0867416892871948
Energy: 1.0484502022863238
Energy: 1.0867416892879467
Energy: 0.7871734741663996
Energy: 1.0867416892879467
Energy: 0.7711084160004824
Energy: 1.0618222324319033
Energy: 0.7773782189082149
Energy: 1.0618222324319033
Energy: 0.7711084160004824
Energy: 1.0618222324326552
Energy: 0.7712807625051458
Energy: 1.0357078870316812
Energy: 0.9865654729088598
Energy: 1.0357078870331848
Energy: 0.7712807625051458
Energy: 1.0357078870331848
Energy: 1.0514370665205313
Energy: 1.0498881833656706
Energy: 0.7621909077434134
Energy: 1.0498881833656706
Energy: 1.0514370665205313
Energy: 1.0498881833664224
Energy: 1.0517013850785124
Energy: 1.0721614362418763
Energy: 0.776619687115173
Energy: 1.0721614362418763
Energy: 1.0517013850785124
Energy: 1.0721614362418763
Energy: 1.0906955513963146
Energy: 1.0619248684499396
Energy: 0.7649877142781841
Energy: 1.0619248684499396
Energy: 1.0906955513963146
Energy: 1.0619248684499396
Energy: 1.0898856668223875
Energy: 1.0547633815993676
Energy: 1.0901469092635756
Energy: 1.0547633815993676
Energy: 1.089885666821636
Energy: 1.0547633816001196
Energy: 1.410966760877846
Energy: 1.052604002038896
Energy: 0.77887393236379
Energy: 1.052604002038896
Energy: 1.410966760877846
Energy: 1.052604002038896
Energy: 1.4110133605987403
Energy: 1.0522617398249834
Energy: 0.7787875023097999
Energy: 1.0522617398249834
Energy: 1.4110133605987403
Energy: 1.0522617398249834
Energy: 1.0897732802068734
Energy: 1.054759039579455
Energy: 1.0900671265298634
Energy: 1.054759039579455
Energy: 1.0897732802076252
Energy: 1.054759039578703
Energy: 1.0905239720385658
Energy: 1.0619541056409378
Energy: 0.7648525482918154
Energy: 1.0619541056409378
Energy: 1.0905239720385658
Energy: 1.0619541056409378
Energy: 1.066583444789248
Energy: 1.0721281453910272
Energy: 0.7766049727994128
Energy: 1.0721281453902751
Energy: 1.0665834447884963
Energy: 1.0721281453902751
Energy: 1.0535249577126977
Energy: 1.0493985029911925
Energy: 0.7621560570210532
Energy: 1.0493985029919444
Energy: 1.0535249577126977
Energy: 1.0493985029919444
Energy: 0.7712478693847423
Energy: 1.0357286078747778
Energy: 0.9865586100808588
Energy: 1.0357286078747778
Energy: 0.7712478693847423
Energy: 1.0357286078740262
Energy: 0.7712159920280492
Energy: 1.0619429870227277
Energy: 0.7773650212450885
Energy: 1.0619429870227277
Energy: 0.7712159920280492
Energy: 1.0619429870227277
Energy: 0.7870034118851079
Energy: 1.0867416892864432
Energy: 1.048551497581482
Energy: 1.0867416892864432
Energy: 0.7870034118851079
Energy: 1.0867416892856911
Energy: 0.7867084812618084
Energy: 1.053802781823608
Energy: 1.068099038292657
Energy: 1.053802781823608
Energy: 0.7867084812618084
Energy: 1.053802781823608
Energy: 0.7712230622664298
Energy: 1.0356356129990163
Energy: 1.0822348787516278
Energy: 1.0356356129982647
Energy: 0.7712230622664298
Energy: 1.0356356129982647
Energy: 0.7769250146869177
Energy: 1.0623222209926058
Energy: 1.1790724982069023
Energy: 1.0623222209926058
Energy: 0.7769250146869177
Energy: 1.0623222209926058
Energy: 0.7874634929151779
Energy: 0.9196236555886105
Energy: 1.2419523826520724
Energy: 0.9196236555893624
Energy: 0.7874634929151779
Energy: 0.9196236555886105
Energy: 0.8161143072590888
Energy: 1.053714955349303
Energy: 1.0692567806925917
Energy: 1.0537149553485854
Energy: 0.8161143072598407
Energy: 1.053714955349303
Energy: 0.7713023154373908
Energy: 0.7707033711010018
Energy: 1.157434312037385
Energy: 0.7707033711017537
Energy: 0.7713023154373908
Energy: 0.7707033711017537
Energy: 0.7774520746492725
Energy: 1.007376341752401
Energy: 0.7769184598553758
Energy: 1.0073763417516495
Energy: 0.7774520746492725
Energy: 1.0073763417516495
Energy: 0.7603430476730324
Energy: 1.0249699642815648
Energy: 0.7629977830282177
Energy: 1.0249699642815648
Energy: 0.7603430476730324
Energy: 1.0249699642808132

minimum gb energy = 0.760121304618012 eV
minimum distance =  2.24986611878266 Angstroms
sigma value = 43


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

Energy: 1.3228952162688312
Energy: 1.2121646666823525
Energy: 1.047670885701132
Energy: 1.2121646666823525
Energy: 1.3228952162688312
Energy: 1.2121646666823525
Energy: 1.239836573538293
Energy: 0.9143643256025159
Energy: 0.8092638138092766
Energy: 0.9143643256025159
Energy: 1.239836573538293
Energy: 0.9143643256025159
Energy: 0.8390437135045958
Energy: 1.0971238743438771
Energy: 1.006555793297714
Energy: 1.097123874342954
Energy: 0.8390437135045958
Energy: 1.0971238743438771
Energy: 0.9973711206885202
Energy: 0.8278784274207277
Energy: 0.8092378638572072
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Energy: 0.9973711206885202
Energy: 0.8278784274207277
Energy: 0.801721017441625
Energy: 1.1120059211279416
Energy: 0.8285863909851223
Energy: 1.1120059211279416
Energy: 0.801721017441625
Energy: 1.1120059211288653
Energy: 0.8276871867187112
Energy: 1.1306544333395263
Energy: 0.8034696268113115
Energy: 1.1306544333395263
Energy: 0.8276871867187112
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Energy: 0.8161861392868637
Energy: 0.815613100354392
Energy: 0.8030350071857766
Energy: 0.8156131004070095
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Energy: 0.8156131003036217
Energy: 0.8980572634383517
Energy: 1.1102018728366205
Energy: 0.841035396680614
Energy: 1.1102018728366205
Energy: 0.8980572634383517
Energy: 1.1102018728375442
Energy: 0.8377322578941019
Energy: 0.9865217747608258
Energy: 1.2429330159225702
Energy: 0.9865217747608258
Energy: 0.8377322578941019
Energy: 0.9865217747608258
Energy: 0.8278497958783002
Energy: 1.1430309819717408
Energy: 1.033108641221646
Energy: 1.1430309819708175
Energy: 0.8278497958783002
Energy: 1.1430309819717408
Energy: 0.8151050641976236
Energy: 1.1788929593403203
Energy: 0.8032241944726383
Energy: 1.1788929593403203
Energy: 0.8151050641976236
Energy: 1.1788929593403203
Energy: 0.8370594605149729
Energy: 1.1100147216915293
Energy: 0.8414230254949191
Energy: 1.1100147216906058
Energy: 0.8370594605149729
Energy: 1.1100147216915293
Energy: 0.8371888789114794
Energy: 0.8355571605420014
Energy: 0.828656752985289
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Energy: 0.8371888789114794
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Energy: 0.8189085164688121
Energy: 1.143939237707913
Energy: 0.8039086301541157
Energy: 1.143939237707913
Energy: 0.8189085164688121
Energy: 1.143939237707913
Energy: 0.8011907922342085
Energy: 1.140463182420679
Energy: 0.8257453335751527
Energy: 1.140463182420679
Energy: 0.8011907922342085
Energy: 1.140463182420679
Energy: 0.8028558783913574
Energy: 0.9836982133337724
Energy: 0.8100171146317743
Energy: 0.9836982133337724
Energy: 0.8028558783913574
Energy: 0.9836982133337724
Energy: 0.8033908450011722
Energy: 1.116601230155548
Energy: 1.0622119744849376
Energy: 1.116601230155548
Energy: 0.8033908450002487
Energy: 1.116601230155548
Energy: 0.835808451034715
Energy: 1.1176240353948395
Energy: 0.8275954917473407
Energy: 1.1176240353948395
Energy: 0.835808451034715
Energy: 1.1176240353948395
Energy: 0.8359956988511122
Energy: 1.1181440967321243
Energy: 0.8263130305445822
Energy: 1.1181440967321243
Energy: 0.8359956988511122
Energy: 1.1181440967321243
Energy: 0.8040109065307932
Energy: 1.1795503612615046
Energy: 0.8105725985158846
Energy: 1.1795503612615046
Energy: 0.8040109065317168
Energy: 1.1795503612615046
Energy: 0.8023249169162888
Energy: 1.1758431206296276
Energy: 0.8099123333265462
Energy: 1.1758431206296276
Energy: 0.8023249169162888
Energy: 1.1758431206296276
Energy: 0.8181259759362207
Energy: 1.1406435230744476
Energy: 0.8272372305686402
Energy: 1.1406435230753706
Energy: 0.8181259759362207
Energy: 1.1406435230744476
Energy: 0.8010454076185854
Energy: 1.1423674755991073
Energy: 0.8066242178436552
Energy: 1.1423674755991073
Energy: 0.8010454076195089
Energy: 1.1423674755991073
Energy: 0.8336471930296138
Energy: 1.1458932325862659
Energy: 0.8166344985400401
Energy: 1.1458932325862659
Energy: 0.8336471930296138
Energy: 1.1458932325862659
Energy: 0.8353298156906525
Energy: 1.1758669012870342
Energy: 0.837519987057995
Energy: 1.1758669012879577
Energy: 0.8353298156906525
Energy: 1.1758669012870342
Energy: 0.8144415958831887
Energy: 1.1795343363701989
Energy: 0.8053541958332171
Energy: 1.1795343363701989
Energy: 0.8144415958831887
Energy: 1.1795343363701989
Energy: 0.8266222856649278
Energy: 1.1426160505676328
Energy: 1.034066974977739
Energy: 1.1426160505685565
Energy: 0.8266222856649278
Energy: 1.1426160505676328
Energy: 0.8330591692947172
Energy: 1.1650496904825944
Energy: 0.8378447075958178
Energy: 1.1650496904825944
Energy: 0.8330591692947172
Energy: 1.165049690483518
Energy: 0.8970356828290924
Energy: 1.1116164401074455
Energy: 0.843976390684257
Energy: 1.111616440106522
Energy: 0.8970356828290924
Energy: 1.111616440106522
Energy: 0.8139240535171272
Energy: 0.8159838163899059
Energy: 0.8035157844555464
Energy: 0.8159838168016104
Energy: 0.8139240535171272
Energy: 0.8159838152997585
Energy: 0.8270669205776469
Energy: 1.1412680111998097
Energy: 0.8061854117979106
Energy: 1.1412680111998097
Energy: 0.8270669205776469
Energy: 1.1412680112007334

minimum gb energy = 0.8010454076185854 eV
minimum distance =  2.30426625852928 Angstroms
sigma value = 57


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

Energy: 0.930158334945179
Energy: 1.2501929613741891
Energy: 1.359941027427218
Energy: 1.2501929613729936
Energy: 0.930158334945179
Energy: 1.2501929613741891
Energy: 0.8733045887557245
Energy: 1.0010729812126868
Energy: 0.8731560789872799
Energy: 1.0010729812126868
Energy: 0.8733045887545288
Energy: 1.0010729812126868
Energy: 0.8596286125283837
Energy: 1.2572611559115545
Energy: 1.0901314333189256
Energy: 1.2572611559115545
Energy: 0.8596286125283837
Energy: 1.2572611559127502
Energy: 0.8946509689836113
Energy: 0.884332855892878
Energy: 0.8732898119313511
Energy: 0.8843328558916823
Energy: 0.8946509689836113
Energy: 0.884332855892878
Energy: 0.8692933426597969
Energy: 0.8825195711432606
Energy: 1.0316929792564444
Energy: 0.8825195711432606
Energy: 0.8692933426597969
Energy: 0.8825195711432606
Energy: 0.8981241991763491
Energy: 1.281794709886362
Energy: 0.8622872563410586
Energy: 1.281794709886362
Energy: 0.8981241991763491
Energy: 1.281794709886362
Energy: 0.8968471903460985
Energy: 1.091232111573374
Energy: 0.8614877389527587
Energy: 1.0912321115721784
Energy: 0.8968471903460985
Energy: 1.0912321115721784
Energy: 0.8945856662514173
Energy: 1.2679752646190223
Energy: 0.9334641307367526
Energy: 1.2679752646238056
Energy: 0.8945856662514173
Energy: 1.2679752646214142
Energy: 0.8693824573962607
Energy: 0.994127754547813
Energy: 1.0315387206497009
Energy: 0.994127754547813
Energy: 0.8693824573962607
Energy: 0.994127754547813
Energy: 0.8933432733594985
Energy: 1.2753652854003654
Energy: 0.86259579808561
Energy: 1.2753652854003654
Energy: 0.8933432733594985
Energy: 1.2753652854003654
Energy: 0.8947109697559595
Energy: 0.8949301261995378
Energy: 0.895088852885344
Energy: 0.8949301261995378
Energy: 0.8947109697559595
Energy: 0.8949301261995378
Energy: 0.8869521833418348
Energy: 1.1045497314193524
Energy: 0.8740668651707325
Energy: 1.1045497314205484
Energy: 0.8869521833418348
Energy: 1.1045497314205484
Energy: 0.8593948304445337
Energy: 1.2873553074172404
Energy: 0.9923330145601215
Energy: 1.2873553074172404
Energy: 0.859394830443338
Energy: 1.2873553074172404
Energy: 0.8596898514602148
Energy: 1.0924846498679859
Energy: 0.8883925748178917
Energy: 1.0924846498667904
Energy: 0.859689851459019
Energy: 1.0924846498667904
Energy: 0.88524742386835
Energy: 1.2699887285343194
Energy: 0.8887855277445668
Energy: 1.2699887285343194
Energy: 0.8852474238360657
Energy: 1.2699887285343194
Energy: 0.8859867786200972
Energy: 1.2853598222106437
Energy: 0.8745114214406697
Energy: 1.2853598222106437
Energy: 0.8859867786200972
Energy: 1.2853598222106437
Energy: 0.8596529327631697
Energy: 1.2707561631567041
Energy: 0.8914875762678768
Energy: 1.2707561631567041
Energy: 0.8596529327631697
Energy: 1.2707561631567041
Energy: 0.892759717123075
Energy: 1.155677046538421
Energy: 0.892746390262901
Energy: 1.155677046538421
Energy: 0.8927597171218793
Energy: 1.155677046538421
Energy: 0.8825129236144229
Energy: 1.2707464646790694
Energy: 0.8592163269303275
Energy: 1.2707464646790694
Energy: 0.8825129236144229
Energy: 1.2707464646790694
Energy: 0.8745723018715329
Energy: 1.2853912268490357
Energy: 0.8860330437094962
Energy: 1.2853912268490357
Energy: 0.8745723018715329
Energy: 1.2853912268490357
Energy: 0.888587719840467
Energy: 1.269585095698478
Energy: 0.8842252055841395
Energy: 1.269585095698478
Energy: 0.888587719840467
Energy: 1.269585095698478
Energy: 0.8884773422444896
Energy: 1.0979368326683419
Energy: 0.8596426824405702
Energy: 1.0979368337069515
Energy: 0.8884773422456581
Energy: 1.0979368338957922
Energy: 0.9446803753025944
Energy: 1.287524474590524
Energy: 0.8590823594755084
Energy: 1.287524474590524
Energy: 0.9446803753025944
Energy: 1.287524474590524
Energy: 0.8740082553913139
Energy: 1.1043255228882796
Energy: 0.8868472614666401
Energy: 1.1043255228882796
Energy: 0.8740082553913139
Energy: 1.1043255228882796

minimum gb energy = 0.8590823594755084 eV
minimum distance =  2.3030830013374 Angstroms
sigma value = 17


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

Energy: 0.9464919601569511
Energy: 0.9450663688782313
Energy: 1.0571914049490423
Energy: 0.9450663688765402
Energy: 0.9464919601569511
Energy: 0.9450663688782313
Energy: 1.0101580183093601
Energy: 0.9654349660221443
Energy: 0.9657835197314184
Energy: 0.9654349660221443
Energy: 1.0101580183093601
Energy: 0.9654349660204532
Energy: 0.9542737067561751
Energy: 0.9544074464085022
Energy: 1.2201397202423514
Energy: 0.9544074464085022
Energy: 0.9542737067561751
Energy: 0.9544074464085022
Energy: 1.0074290364649674
Energy: 0.9551597617516411
Energy: 0.958005507815358
Energy: 0.9551597617516411
Energy: 1.0074290364649674
Energy: 0.9551597617516411
Energy: 0.9628835587070343
Energy: 0.9631989641899132
Energy: 1.252155885145341
Energy: 0.9631989641899132
Energy: 0.9628835587070343
Energy: 0.9631989641899132
Energy: 0.9692747351148818
Energy: 0.9451635929908703
Energy: 0.9503198265931498
Energy: 0.9451635929908703
Energy: 0.9692747351148818
Energy: 0.9451635929908703
Energy: 0.9725109410685208
Energy: 1.1921058516035734
Energy: 1.0069372843629962
Energy: 1.1921058516035734
Energy: 0.9725109410668298
Energy: 1.1921058516035734
Energy: 0.9548566831461615
Energy: 1.2171830329697726
Energy: 0.9573525964065407
Energy: 1.2171830329697726
Energy: 0.9548566831461615
Energy: 1.2171830329697726
Energy: 0.9546548062641013
Energy: 0.9584197787820147
Energy: 1.180468839010606
Energy: 0.9584197787820147
Energy: 0.9546548062624488
Energy: 0.9584197787820147
Energy: 0.9439362649101793
Energy: 0.9296994627183933
Energy: 0.9658688389919624
Energy: 0.9296994627183933
Energy: 0.9439362649101793
Energy: 0.9296994627183933
Energy: 0.944382251439255
Energy: 1.3962795020668035
Energy: 0.9631438070637657
Energy: 1.3962795020668035
Energy: 0.944382251439255
Energy: 1.3962795020668035
Energy: 0.9558663997928983
Energy: 1.2234936238354646
Energy: 0.9640395186502729
Energy: 1.2234936238354646
Energy: 0.9558663997928983
Energy: 1.2234936238354646
Energy: 0.9549758222861787
Energy: 1.4028097141230123
Energy: 0.989572795528854
Energy: 1.4028097141230123
Energy: 0.9549758222861787
Energy: 1.4028097141230123
Energy: 0.9892295320604123
Energy: 0.9552309752610834
Energy: 0.9557294689871808
Energy: 0.9552309752610834
Energy: 0.9892295320604123
Energy: 0.9552309752610834
Energy: 0.9722071030375986
Energy: 1.2230770765700527
Energy: 0.9442952504346108
Energy: 1.2230770765700527
Energy: 0.9722071030375986
Energy: 1.2230770765700527
Energy: 0.9632538245509492
Energy: 1.3945916519512382
Energy: 0.9443836179490381
Energy: 1.3945916519512382
Energy: 0.9632538245509492
Energy: 1.3945916519512382
Energy: 0.9921128446316004
Energy: 0.956303393409502
Energy: 0.9548700818167494
Energy: 0.956303393409502
Energy: 0.9921128446316004
Energy: 0.956303393407811

minimum gb energy = 0.9296994627183933 eV
minimum distance =  2.28599150390061 Angstroms
sigma value = 17


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

Energy: 1.3970890811747312
Energy: 1.4544343626458986
Energy: 1.5045391544455275
Energy: 1.4544343626458986
Energy: 1.3970890811747312
Energy: 1.4544343626458986
Energy: 1.180546007194907
Energy: 0.9487158808144481
Energy: 0.9393825318467491
Energy: 0.9487158808137952
Energy: 1.180546007194254
Energy: 0.9487158808137952
Energy: 0.9398627656297659
Energy: 1.0267016679533136
Energy: 1.1762141510735913
Energy: 1.0267016679526608
Energy: 0.9398627656297659
Energy: 1.0267016679526608
Energy: 0.9512897138361684
Energy: 1.26178617589226
Energy: 1.0284545693599905
Energy: 1.26178617589226
Energy: 0.9512897138368215
Energy: 1.2617861758929132
Energy: 0.9434236585155541
Energy: 1.0143503596043622
Energy: 1.2264577367015697
Energy: 1.0143503596043622
Energy: 0.9434236585155541
Energy: 1.0143503596043622
Energy: 1.0586197449686634
Energy: 0.9404326055602733
Energy: 1.053633764932014
Energy: 0.9404326055615794
Energy: 1.0586197449699697
Energy: 0.9404326055602733
Energy: 0.9369845143457648
Energy: 1.0517034148157238
Energy: 1.1789576941825326
Energy: 1.0517034148157238
Energy: 0.9369845143457648
Energy: 1.051703414815071
Energy: 1.3395794177698301
Energy: 0.933731505470879
Energy: 0.93514456082867
Energy: 0.9337315054728381
Energy: 1.3395794177698301
Energy: 0.933731505470879
Energy: 1.0588107211669686
Energy: 0.9398962020688885
Energy: 0.9482808605776997
Energy: 0.9398962020675824
Energy: 1.0588107211676216
Energy: 0.9398962020675824
Energy: 1.338027227252577
Energy: 1.027089865105835
Energy: 0.9379179031672917
Energy: 0.9997540653315458
Energy: 1.338027227251924
Energy: 1.027089865105835
Energy: 1.0336105847229062
Energy: 1.238932509402225
Energy: 1.0373986657182221
Energy: 1.2389325093794
Energy: 1.0336105847229062
Energy: 1.2389325094041839
Energy: 0.9534709177434493
Energy: 0.9515200195770004
Energy: 0.9471837288514349
Energy: 0.9515200195776534
Energy: 0.9534709177441024
Energy: 0.9515200195789594
Energy: 0.9388474494063492
Energy: 0.9378303505743917
Energy: 1.3477381206466632
Energy: 0.9378303506527219
Energy: 0.9388474494070022
Energy: 0.9378303505926758
Energy: 0.9487710890043171
Energy: 0.9389262544637049
Energy: 1.4048971095712597
Energy: 0.938926254469582
Energy: 0.9487710890036639
Energy: 0.9389262544663171
Energy: 0.9432303693993598
Energy: 1.3864250632169033
Energy: 1.0375094653271038
Energy: 1.3864250632175563
Energy: 0.9432303694000127
Energy: 1.3864250632175563
Energy: 1.0271283093818258
Energy: 1.336688822925265
Energy: 0.947084694540891
Energy: 0.9312876419652862
Energy: 1.0271283093811727
Energy: 1.3366888229246119
Energy: 1.0268356276555537
Energy: 0.9348469878406388
Energy: 0.9651913442490139
Energy: 0.9348469878406388
Energy: 1.0268356276555537
Energy: 0.9348469878406388
Energy: 1.3424751071706558
Energy: 1.0287941405100143
Energy: 0.9642515512861355
Energy: 1.0287941405296044
Energy: 1.3424751071713088
Energy: 1.0287941404949954
Energy: 1.2689999270729855
Energy: 1.106464678145918
Energy: 0.9331612654883358
Energy: 1.1064646781433058
Energy: 1.2689999270729855
Energy: 1.106464678153101
Energy: 0.9340655778662694
Energy: 1.232131442871809
Energy: 0.9338809216156053
Energy: 1.2684719184599693
Energy: 0.9340655778662694
Energy: 1.232131442874421
Energy: 0.9334613557221587
Energy: 1.0974612450477634
Energy: 1.3370824865437463
Energy: 1.0974612450471104
Energy: 0.9334613557221587
Energy: 1.0974612450464576
Energy: 0.9642338339070194
Energy: 1.0289364816724687
Energy: 1.3420409696944993
Energy: 1.0289364816724687
Energy: 0.9642338339070194
Energy: 1.0289364816731217
Energy: 0.9516184628974732
Energy: 0.9348595338902298
Energy: 1.0265900083823274
Energy: 0.9348595338895769
Energy: 0.9516184628981262
Energy: 0.9348595338902298
Energy: 0.9473779589329192
Energy: 1.153357305931762
Energy: 1.026836156147724
Energy: 1.1533573059311089
Energy: 0.9473779589329192
Energy: 1.153357305932415
Energy: 1.037509934127697
Energy: 1.3863939850927978
Energy: 0.9485073347857879
Energy: 1.3863939850927978
Energy: 1.0375099341283498
Energy: 1.3863939850927978
Energy: 1.405028270926066
Energy: 0.9389343230698943
Energy: 0.9490204450695414
Energy: 0.9389343230692413
Energy: 1.405028270926066
Energy: 0.9389343230685884
Energy: 1.3477818303755438
Energy: 0.9369041090422726
Energy: 0.9388900748408592
Energy: 0.9369041090396606
Energy: 1.3477818303761966
Energy: 0.9369041090409665
Energy: 0.9477313483301258
Energy: 0.9512955059836107
Energy: 0.9532607944754176
Energy: 0.9512955059836107
Energy: 0.9477313483301258
Energy: 0.9512955059836107
Energy: 1.0374997794143426
Energy: 1.1041757263354772
Energy: 1.0310994007508272
Energy: 1.1041759179017272
Energy: 1.0374997794143426
Energy: 1.104175469165425
Energy: 0.9381504443512491
Energy: 1.0269407670439652
Energy: 1.3379626757107164
Energy: 1.0269407670439652
Energy: 0.9381504443519021
Energy: 1.0269407670433124
Energy: 0.9481870379158199
Energy: 0.9403568450836166
Energy: 1.0590776061989562
Energy: 0.9403568450836166
Energy: 0.9481870379145139
Energy: 0.9403568450842696
Energy: 0.9351321593665778
Energy: 0.9341504984030581
Energy: 1.3391634666555106
Energy: 0.934150498404364
Energy: 0.9351321593659248
Energy: 0.9341504984030581
Energy: 1.1788265203420547
Energy: 1.0520878255605066
Energy: 0.9371947457624854
Energy: 1.0520878255611597
Energy: 1.178826520341402
Energy: 1.0520878255605066
Energy: 1.0535122408559534
Energy: 0.9409833057452119
Energy: 1.058314387727932
Energy: 0.9409833057432528
Energy: 1.0535122408559534
Energy: 0.9409833057439059
Energy: 1.1998764789031675
Energy: 1.0143503596030559
Energy: 0.9434195114383397
Energy: 1.0143503596037091
Energy: 1.1998764789031675
Energy: 1.0143503596037091
Energy: 1.028451672174063
Energy: 0.9314296626220192
Energy: 0.9511442922983889
Energy: 0.9314296626226723
Energy: 1.0284516721734103
Energy: 0.9314296626213663
Energy: 1.176279407660916
Energy: 1.026082192812328
Energy: 0.9398367647249107
Energy: 1.026082192812328
Energy: 1.176279407660916
Energy: 1.026082192811675
Energy: 0.9393625862708693
Energy: 0.9485254913501137
Energy: 1.1808472146653664
Energy: 0.9485254913501137
Energy: 0.9393625862708693
Energy: 0.9485254913501137
Energy: 0.9684922461227717
Energy: 1.4544343626458986
Energy: 1.3970890811747312
Energy: 1.4544343626465517
Energy: 0.9684922268691496
Energy: 1.4544343626458986
Energy: 0.9393825318460962
Energy: 0.9487158808137952
Energy: 1.180546007197519
Energy: 0.9487158808131422
Energy: 0.9393825318460962
Energy: 0.9487158808137952
Energy: 1.1762141510735913
Energy: 1.0267016679520076
Energy: 0.9398627656297659
Energy: 1.0267016679507017
Energy: 1.1762141510735913
Energy: 1.0267016679520076
Energy: 1.0284545693599905
Energy: 1.26178617589226
Energy: 0.9512897138374744
Energy: 1.2617861758929132
Energy: 1.0284545693599905
Energy: 1.2617861758929132
Energy: 1.226457736702223
Energy: 1.0143503596037091
Energy: 0.9434236585155541
Energy: 1.0143503596037091
Energy: 1.2264577367028757
Energy: 1.0143503596043622

minimum gb energy = 0.9312876419652862 eV
minimum distance =  2.29064465537848 Angstroms
sigma value = 57


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

Energy: 1.2277619368310082
Energy: 1.4511711178304159
Energy: 1.3526056067384704
Energy: 1.4511711178304159
Energy: 1.2277619368310082
Energy: 1.4511711178314792
Energy: 1.0921367217372484
Energy: 0.9433102591593999
Energy: 0.9436259749943864
Energy: 0.9433102591593999
Energy: 1.0921367217372484
Energy: 0.9433102591583367
Energy: 0.9424699134798523
Energy: 1.0322321873638116
Energy: 1.0043465694262605
Energy: 1.0322321873670013
Energy: 0.9424699134798523
Energy: 1.032232187364875
Energy: 1.1604196973727698
Energy: 1.0270205301721278
Energy: 1.1932042143942547
Energy: 1.0270205301689381
Energy: 1.1604196973727698
Energy: 1.0270205301700015
Energy: 0.8959014115441742
Energy: 1.0152371976072188
Energy: 1.0954268679213266
Energy: 1.0152371976082821
Energy: 0.8959014115441742
Energy: 1.0152371976082821
Energy: 1.2021412180662445
Energy: 1.0268291829745049
Energy: 1.1928730116458328
Energy: 1.0268291830361245
Energy: 1.2021412180651814
Energy: 1.0268291830032124
Energy: 0.9450783338520096
Energy: 1.0337568688505803
Energy: 0.950262414915303
Energy: 1.033756868844201
Energy: 0.9450783338520096
Energy: 1.0337568688526584
Energy: 1.2582940426450995
Energy: 1.0100547175048942
Energy: 0.9435563995389443
Energy: 1.0100547175048942
Energy: 1.2582940426440363
Energy: 1.0100547175048942
Energy: 1.0748585848198855
Energy: 1.1624493777773166
Energy: 0.9433422818000413
Energy: 1.1624493777720004
Energy: 1.0748585848198855
Energy: 1.1624493777762532
Energy: 1.4635023371463551
Energy: 0.9457522978978528
Energy: 0.9472396550678783
Energy: 0.9457522978967896
Energy: 1.4635023371452922
Energy: 0.9457522978978528
Energy: 0.9452764346597112
Energy: 1.1662910389057255
Energy: 1.1906872814455964
Energy: 1.1662910389067886
Energy: 0.9452764346597112
Energy: 1.1662910389046621
Energy: 1.0195697125644938
Energy: 1.027576795184231
Energy: 1.2008090847482304
Energy: 1.0275767951810413
Energy: 1.0195697125644938
Energy: 1.027576795170409
Energy: 0.900039587336721
Energy: 1.0342869114536568
Energy: 1.190017156119958
Energy: 1.0342869114557833
Energy: 0.900039587336721
Energy: 1.03428691145472
Energy: 1.2081635455809352
Energy: 0.9379876659414915
Energy: 1.2003955872882701
Energy: 0.9379876659414915
Energy: 1.2081635455819981
Energy: 0.9379876659425547
Energy: 0.9474566621636504
Energy: 1.0348418126085588
Energy: 0.9429691858248367
Energy: 1.0348418126085588
Energy: 0.9474566621636504
Energy: 1.034841812609622
Energy: 1.324483816802247
Energy: 0.9749097262590245
Energy: 0.9477346805827689
Energy: 0.9749098937988905
Energy: 1.3244838168033104
Energy: 0.9749097672403587
Energy: 1.2439724452585843
Energy: 1.2038347884682612
Energy: 0.944556807598107
Energy: 1.2038347884682612
Energy: 1.2439724452575212
Energy: 1.2038347884682612
Energy: 1.1970814827759906
Energy: 1.122831796137502
Energy: 0.951770391928707
Energy: 1.122831796137502
Energy: 1.1970814827759906
Energy: 1.122831796137502
Energy: 0.9471269919037104
Energy: 0.8968700779900697
Energy: 1.1992891417540423
Energy: 0.8968700779890064
Energy: 0.9471269919037104
Energy: 0.8968700779890064
Energy: 1.0435265297567515
Energy: 1.0414371581760193
Energy: 1.1804512849272564
Energy: 1.0414371581760193
Energy: 1.0435265297567515
Energy: 1.0414371581760193
Energy: 0.8989581109086408
Energy: 1.0355075437408865
Energy: 1.1988948174217153
Energy: 1.0355075437408865
Energy: 0.8989581109086408
Energy: 1.0355075437398236
Energy: 0.9470690093659816
Energy: 0.8962325078490455
Energy: 1.2047683038387338
Energy: 0.8962325078490455
Energy: 0.9470690093649182
Energy: 0.8962325078490455
Energy: 0.9554026288536226
Energy: 1.036849720172417
Energy: 0.9446470250003589
Energy: 1.0368497201692273
Energy: 0.9554026288536226
Energy: 1.036849720172417
Energy: 1.0699318718213877
Energy: 0.8955898568132791
Energy: 0.951384432251475
Energy: 0.8955898568132791
Energy: 1.0699318718213877
Energy: 0.8955898568132791
Energy: 1.06981364473813
Energy: 1.0609550492118693
Energy: 0.9499542792583396
Energy: 1.0609550492118693
Energy: 1.06981364473813
Energy: 1.0609550492129327
Energy: 0.9480417099143075
Energy: 1.035828504049627
Energy: 0.9468204822821269
Energy: 1.0358285040623856
Energy: 0.9480417099143075
Energy: 1.0358285040825388
Energy: 0.9557666717187294
Energy: 0.8963158988736333
Energy: 1.1782490360381206
Energy: 0.8963158988736333
Energy: 0.9557666717187294
Energy: 0.8963158988736333

minimum gb energy = 0.8955898568132791 eV
minimum distance =  2.33629713576591 Angstroms
sigma value = 43


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

Energy: 1.1245296540836944
Energy: 1.367393410160412
Energy: 1.3328289287602155
Energy: 1.367393410160412
Energy: 1.1245296540836944
Energy: 1.3673934101611867
Energy: 1.042930342799716
Energy: 0.9849441858335779
Energy: 0.9615730802908252
Energy: 0.9849441858343527
Energy: 1.0429303427989411
Energy: 0.9849441858335779
Energy: 0.9593005194436338
Energy: 1.0956588783654795
Energy: 1.0297900602469605
Energy: 1.0956588783662542
Energy: 0.9593005194428591
Energy: 1.0956588783654795
Energy: 1.0494995946408099
Energy: 1.3508698382371285
Energy: 1.0742488921011688
Energy: 1.3508698382355795
Energy: 1.0494995946400352
Energy: 1.3508698382348048
Energy: 0.9741141127932458
Energy: 1.0542024695193128
Energy: 1.091242468017831
Energy: 1.0542024695185381
Energy: 0.9741141127932458
Energy: 1.0542024695193128
Energy: 1.0827567038571202
Energy: 1.0635793515251823
Energy: 0.9782281587312422
Energy: 1.0635793515251823
Energy: 1.0827567038571202
Energy: 1.0635793515251823
Energy: 0.9803549617170713
Energy: 1.0640575934362426
Energy: 0.9843001258910073
Energy: 1.0640575934362426
Energy: 0.9803549617170713
Energy: 1.0640575934362426
Energy: 1.1162530613609245
Energy: 1.054067151103337
Energy: 0.9731430501568156
Energy: 1.0540671511017876
Energy: 1.1162530613609245
Energy: 1.0540671511017876
Energy: 1.0767585721272084
Energy: 1.349727835530964
Energy: 1.1103173160627602
Energy: 1.349727835530964
Energy: 1.0767585721272084
Energy: 1.349727835530964
Energy: 1.1722633292436202
Energy: 1.097242717551794
Energy: 0.9631281040487976
Energy: 1.097242717551794
Energy: 1.1722633292436202
Energy: 1.097242717551794
Energy: 0.9639098593616369
Energy: 1.020513439389212
Energy: 1.4262172815981726
Energy: 1.0205134393899866
Energy: 0.9639098593616369
Energy: 1.020513439389212
Energy: 0.9835321727275249
Energy: 0.9771301234988978
Energy: 1.127425209873993
Energy: 0.9771301235012217
Energy: 0.9835321727275249
Energy: 0.9771301234996724
Energy: 0.9604358315955038
Energy: 0.9853884739690428
Energy: 1.1104459299825187
Energy: 0.9853884739690428
Energy: 0.9604358315947292
Energy: 0.9853884739690428
Energy: 1.0853518193679155
Energy: 1.162685441367378
Energy: 0.9637392216540632
Energy: 1.1626854413619552
Energy: 1.0853518193679155
Energy: 1.1626854413542087
Energy: 1.0732946189762929
Energy: 0.9598319696924398
Energy: 0.9840696862793725
Energy: 0.9598319696932143
Energy: 1.0732946189762929
Energy: 0.9598319696932143
Energy: 1.0827124947562943
Energy: 1.0975317929593635
Energy: 0.9629492023925208
Energy: 1.0975317929601378
Energy: 1.0827124947562943
Energy: 1.0975317929609125
Energy: 0.9768096268326452
Energy: 0.9769094491650971
Energy: 1.082708540868888
Energy: 0.9769094491635478
Energy: 0.9768096268326452
Energy: 0.9769094491643225
Energy: 0.985343231235896
Energy: 1.0653585043763376
Energy: 0.9769573194456586
Energy: 1.0653585043763376
Energy: 0.985343231235896
Energy: 1.0653585043763376
Energy: 0.9685248367046334
Energy: 0.9859018963061552
Energy: 1.0735302659417743
Energy: 0.9859018963053804
Energy: 0.9685248367046334
Energy: 0.9859018963061552
Energy: 0.9597120413940098
Energy: 1.4553344580979133
Energy: 1.0732582025776682
Energy: 1.4553344580986878
Energy: 0.9597120413940098
Energy: 1.4553344580979133
Energy: 0.9595279414800425
Energy: 1.0995594680902998
Energy: 0.984073042278343
Energy: 1.0995594680902998
Energy: 0.9595279414792679
Energy: 1.0995594680902998
Energy: 1.5112514371421282
Energy: 0.9634810146428562
Energy: 0.9599566898373145
Energy: 0.9634810146428562
Energy: 1.5112514371429027
Energy: 0.9634810146428562
Energy: 1.3154902922277265
Energy: 1.2322100203732929
Energy: 0.9835413298098005
Energy: 1.2322100203732929
Energy: 1.3154902922277265
Energy: 1.2322100203732929
Energy: 0.9597045977533933
Energy: 1.0976483851925467
Energy: 0.9839646740078891
Energy: 1.0976483851933214
Energy: 0.9597045977533933
Energy: 1.0976483851933214
Energy: 0.9598426669129045
Energy: 1.251411090198086
Energy: 1.074053481463068
Energy: 1.251411090198086
Energy: 0.9598426669129045
Energy: 1.2514110901988607
Energy: 0.9845575561962742
Energy: 1.1423092398894181
Energy: 1.0735041888497916
Energy: 1.1423092398886436
Energy: 0.9845575561962742
Energy: 1.1423092398894181
Energy: 0.9666391165363134
Energy: 1.1648861770892913
Energy: 1.0636446169002465
Energy: 1.1648861770869674
Energy: 0.9666391165370881
Energy: 1.1648861770892913
Energy: 1.06370263126718
Energy: 1.432232293989098
Energy: 1.063646281943572
Energy: 1.432232293989098
Energy: 1.0637026312679547
Energy: 1.432232293989098
Energy: 1.0636150675627958
Energy: 1.1640770624467864
Energy: 0.9841544388148337
Energy: 1.1640770624715762
Energy: 1.063615067562021
Energy: 1.1640770624731258
Energy: 1.0734857037868715
Energy: 1.142503207614255
Energy: 0.9845556684677588
Energy: 1.14250320761348
Energy: 1.0734857037868715
Energy: 1.14250320761348
Energy: 1.0737286977263776
Energy: 1.2512781833763775
Energy: 0.959637332464683
Energy: 1.2512781833763775
Energy: 1.0737286977263776
Energy: 1.2512781833756026
Energy: 0.984268223249024
Energy: 1.0976512123956286
Energy: 0.959506483663566
Energy: 1.0976512123933047
Energy: 0.984268223249024
Energy: 1.0976512123956286
Energy: 0.9838974227431827
Energy: 1.2324178170565692
Energy: 1.5095562246156586
Energy: 1.2324178170565692
Energy: 0.9838974227431827
Energy: 1.2324178170565692
Energy: 0.9598123920539504
Energy: 0.9635857670524486
Energy: 1.5112447295307445
Energy: 0.9635857670532233
Energy: 0.9598123920539504
Energy: 0.9635857670524486
Energy: 0.9840065745763432
Energy: 1.0993453367021697
Energy: 0.9594243916985954
Energy: 1.0993453367021697
Energy: 0.9840065745763432
Energy: 1.0993453367029444
Energy: 1.0735829321324724
Energy: 1.4551596644351577
Energy: 0.9599169840558603
Energy: 1.4551596644351577
Energy: 1.0735829321332468
Energy: 1.455159664434383

minimum gb energy = 0.9593005194428591 eV
minimum distance =  2.31484829545598 Angstroms
sigma value = 81


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

Energy: 0.9714051603843508
Energy: 0.9718624387591024
Energy: 2.091275837754594
Energy: 0.9718624387591024
Energy: 0.971405160384642
Energy: 0.9718624387593935
Energy: 0.9721216416736962
Energy: 0.9717198637503965
Energy: 0.971354371673705
Energy: 0.9717198637503965
Energy: 0.9721216416736962
Energy: 0.9717198637503965
Energy: 0.9713311708713493
Energy: 0.9717785578193968
Energy: 1.2873106742228027
Energy: 0.9717785578191056
Energy: 0.9713311708716403
Energy: 0.9717785578193968
Energy: 2.091275837754885
Energy: 0.9718624387596845
Energy: 0.9714051603840596
Energy: 0.9718624387593935
Energy: 2.091275837754594
Energy: 0.9718624387593935
Energy: 0.971354371673996
Energy: 0.9717198637503965
Energy: 0.9721216416736962
Energy: 0.9717198637503965
Energy: 0.971354371673705
Energy: 0.9717198637503965
Energy: 1.6393717607538842
Energy: 0.9717785578193968
Energy: 0.9713311708713493
Energy: 0.9717785578193968
Energy: 1.6393717607541753
Energy: 0.9717785578193968
Energy: 0.9714051603843508
Energy: 0.9718624387591024
Energy: 1.612872257634698
Energy: 0.9718624387593935
Energy: 0.9714051603843508
Energy: 0.9718624387591024
Energy: 0.9721216416734051
Energy: 0.9717198637501054
Energy: 0.971354371673705
Energy: 0.9717198637506876
Energy: 0.9721216416736962
Energy: 0.9717198637503965
Energy: 0.9713311708716403
Energy: 0.9717785578193968
Energy: 1.6393717607538842
Energy: 0.9717785578193968
Energy: 0.9713311708719314
Energy: 0.9717785578193968
Energy: 1.5047084192247349
Energy: 0.9718624387593935
Energy: 0.9714051603840596
Energy: 0.9718624387593935
Energy: 1.5047084192241527
Energy: 0.9718624387593935

minimum gb energy = 0.9713311708713493 eV
minimum distance =  2.27821113649469 Angstroms
sigma value = 3


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

Energy: 1.4706741104854832
Energy: 1.271791054735419
Energy: 1.411774027907715
Energy: 1.2717910547371225
Energy: 1.4706741104854832
Energy: 1.2717910547362707
Energy: 0.9513049860063301
Energy: 1.0661484509771415
Energy: 0.941877351080492
Energy: 1.0661484509771415
Energy: 0.9513049860003676
Energy: 1.0661484509762897
Energy: 0.9539467204248007
Energy: 0.9544036855349666
Energy: 0.947860531081837
Energy: 0.9544036855349666
Energy: 0.9539467204239488
Energy: 0.9544036855349666
Energy: 0.9549442951045952
Energy: 1.2552473877859864
Energy: 1.0736347238696313
Energy: 1.255247387784283
Energy: 0.9549442951037433
Energy: 1.2552473877791726
Energy: 1.0463345117068807
Energy: 1.0428350524041896
Energy: 1.1369522598929118
Energy: 1.0428350524041896
Energy: 1.0463345117068807
Energy: 1.0428350524033378
Energy: 0.9692973714081004
Energy: 1.0061082446347753
Energy: 0.9357734316449378
Energy: 1.0061082446347753
Energy: 0.9692973714089521
Energy: 1.0061082446347753
Energy: 1.0458371582199697
Energy: 1.042980240023858
Energy: 0.9649140174803219
Energy: 1.042980240023858
Energy: 1.0458371582199697
Energy: 1.042980240023858
Energy: 1.052043427594975
Energy: 1.4199383861812036
Energy: 1.0721941817063951
Energy: 1.4199383861812036
Energy: 1.0520434275941233
Energy: 1.4199383861812036
Energy: 0.9535846552256072
Energy: 0.953881691229425
Energy: 1.1926126362795
Energy: 0.953881691229425
Energy: 0.9535846552247554
Energy: 0.953881691229425
Energy: 0.9646522139976481
Energy: 1.0657671156433206
Energy: 0.9413421929341689
Energy: 1.0657671156433206
Energy: 0.9646522139976481
Energy: 1.0657671156433206
Energy: 1.3472991430491994
Energy: 1.0468008397804391
Energy: 1.072591822688374
Energy: 1.0468008397795874
Energy: 1.3472991430491994
Energy: 1.0468008397804391
Energy: 1.3719103232199499
Energy: 1.1585369393985157
Energy: 0.9410785294269768
Energy: 1.1585369393985157
Energy: 1.3719103232199499
Energy: 1.1585369393985157
Energy: 0.9540512732531725
Energy: 1.0011360313038289
Energy: 0.9409671242651743
Energy: 1.0011360313038289
Energy: 0.9540512732531725
Energy: 1.0011360313038289
Energy: 0.9618576926236334
Energy: 1.247752808438983
Energy: 1.0708399341097756
Energy: 1.2477528083963938
Energy: 0.9618576926236334
Energy: 1.2477528084806813
Energy: 1.042268435206178
Energy: 1.1209361337173205
Energy: 1.0705512972610944
Energy: 1.1209361337181722
Energy: 1.042268435205326
Energy: 1.1209361337181722
Energy: 1.0422327649024759
Energy: 1.1361400339158243
Energy: 0.9344070123747003
Energy: 1.1361400339158243
Energy: 1.0422327649033276
Energy: 1.1361400339158243
Energy: 1.0481612644373677
Energy: 1.269410432052408
Energy: 0.9341559077750434
Energy: 1.269410432052408
Energy: 1.048161264463773
Energy: 1.269410432053221
Energy: 1.0420609896902706
Energy: 1.083616683151305
Energy: 1.0707972817325784
Energy: 1.083616683151305
Energy: 1.042060989675829
Energy: 1.0836166831504535
Energy: 0.9579371191607374
Energy: 1.158572366459116
Energy: 1.070951653883429
Energy: 1.1585723664582641
Energy: 0.9579371191607374
Energy: 1.158572366459116
Energy: 0.9542205937908101
Energy: 1.141317915267943
Energy: 0.9407074748566957
Energy: 1.141317915267943
Energy: 0.9542205937908101
Energy: 1.141317915267943
Energy: 1.4061895137636886
Energy: 1.070069249073943
Energy: 0.9412552347743925
Energy: 1.070069249073943
Energy: 1.4061895137645406
Energy: 1.070069249073943
Energy: 1.4888069902246008
Energy: 1.1655709321863323
Energy: 1.0654215333745922
Energy: 1.1655709321863323
Energy: 1.4888069902246008
Energy: 1.1655709321863323
Energy: 0.9579060711575864
Energy: 0.9599494250530296
Energy: 0.9413520719899892
Energy: 0.959949425052178
Energy: 0.9579060711584382
Energy: 0.959949425052178
Energy: 0.9539006534774341
Energy: 1.0706096837392423
Energy: 1.2762466897181588
Energy: 1.0706096837383903
Energy: 0.953900653478286
Energy: 1.0706096837383903
Energy: 0.9572478751535209
Energy: 1.0850287305646789
Energy: 1.071096618189645
Energy: 1.0850287305646789
Energy: 0.9572478751526692
Energy: 1.085028730563827
Energy: 1.042659215282756
Energy: 1.295552203221593
Energy: 1.0161957015633283
Energy: 1.295552203221593
Energy: 1.0426592152819043
Energy: 1.2955522032207412
Energy: 0.9487753275482261
Energy: 0.9597784474217227
Energy: 0.9347146415250315
Energy: 0.9597784474217227
Energy: 0.9487753275482261
Energy: 0.9597784474217227
Energy: 1.0425449385649332
Energy: 0.941306658959169
Energy: 0.9552712436422878
Energy: 0.941306658959169
Energy: 1.0425449385649332
Energy: 0.941306658959169
Energy: 1.0188000876408105
Energy: 1.2532639508255263
Energy: 1.075752165782968
Energy: 1.2532639508255263
Energy: 1.0188000876408105
Energy: 1.2532639508255263
Energy: 0.9558390440051389
Energy: 0.9534189817429052
Energy: 0.9482830303833103
Energy: 0.9534189817429052
Energy: 0.9558390440051389
Energy: 0.9534189817429052
Energy: 1.2668319577425804
Energy: 1.0681859412054224
Energy: 0.9441979706581881
Energy: 1.0681859412054224
Energy: 1.2668319577425804
Energy: 1.0681859412054224
Energy: 1.3479320046967451
Energy: 1.3496000597066027
Energy: 0.986176337132765
Energy: 1.3496000597066027
Energy: 1.3479320046967451
Energy: 1.3496000597074542
Energy: 0.9519021761177635
Energy: 1.0666705551357254
Energy: 0.9414980267810249
Energy: 1.0666705551357254
Energy: 0.9519021761169117
Energy: 1.0666705551357254

minimum gb energy = 0.9341559077750434 eV
minimum distance =  2.22904958013465 Angstroms
sigma value = 67


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

Energy: 1.1016751143247172
Energy: 1.3051067148159428
Energy: 1.366121861253341
Energy: 1.3051067147904554
Energy: 1.1016751143247172
Energy: 1.3051067147491897
Energy: 1.2540132893283782
Energy: 1.0345626948246653
Energy: 0.9086224204312164
Energy: 1.0345626948246653
Energy: 1.2540132893283782
Energy: 1.0345626948246653
Energy: 0.8966899614639317
Energy: 0.9710440133445805
Energy: 1.0770095442680772
Energy: 0.9710440133457942
Energy: 0.8966899614639317
Energy: 0.9710440133445805
Energy: 1.2348958973358761
Energy: 1.3303507770218488
Energy: 1.0295403429205203
Energy: 1.3303507770182075
Energy: 1.2348958973346624
Energy: 1.3303507770182075
Energy: 1.0339101552833034
Energy: 1.3305484208557825
Energy: 1.2628703409277728
Energy: 1.3305484208691332
Energy: 1.0339101552833034
Energy: 1.3305484208897655
Energy: 1.0286159791035838
Energy: 0.901741329774328
Energy: 0.8998297076082433
Energy: 0.901741329774328
Energy: 1.0286159791035838
Energy: 0.901741329774328
Energy: 0.9126048984025729
Energy: 1.0352762767563966
Energy: 0.9026641393007603
Energy: 1.0352762767563966
Energy: 0.9126048984025729
Energy: 1.0352762767563966
Energy: 1.0390785168049463
Energy: 1.477433552577128
Energy: 1.4241056075477068
Energy: 1.477433552577128
Energy: 1.0390785168049463
Energy: 1.477433552577128
Energy: 1.0472683808207017
Energy: 0.9026020479074465
Energy: 1.4248296500481956
Energy: 0.9026020479074465
Energy: 1.0472683808207017
Energy: 0.9026020479086602
Energy: 1.0337486966836726
Energy: 1.0349970973665494
Energy: 0.9087417496427176
Energy: 1.0349970974090286
Energy: 1.0337486966933822
Energy: 1.0349970973883957
Energy: 1.0278073483112933
Energy: 1.2417870700448637
Energy: 0.9024067143639315
Energy: 1.2417870700448637
Energy: 1.0278073483125068
Energy: 1.2417870700448637
Energy: 1.0278409202777041
Energy: 0.9810878296967676
Energy: 1.0284271152127737
Energy: 0.9810878296955539
Energy: 1.0278409202777041
Energy: 0.9810878296967676
Energy: 0.9024926207987796
Energy: 1.1358302062497672
Energy: 1.0274831217593077
Energy: 1.1358302062497672
Energy: 0.9024926207975659
Energy: 1.1358302062485537
Energy: 0.9039279449175612
Energy: 1.0946700608087832
Energy: 1.0383733302532376
Energy: 1.0946700608087832
Energy: 0.9039279449163475
Energy: 1.0946700608087832
Energy: 1.416863820155056
Energy: 1.3546162935372426
Energy: 1.0473921124894445
Energy: 1.3546162935372426
Energy: 1.41686382015627
Energy: 1.354616293536029
Energy: 1.5996086796103086
Energy: 1.37547932562382
Energy: 1.0402462961743377
Energy: 1.3754793257099367
Energy: 1.5996086796103086
Energy: 1.3754793256917315
Energy: 0.9026469042469184
Energy: 1.0342755376327182
Energy: 0.8960708195438232
Energy: 1.0342755376327182
Energy: 0.9026469042469184
Energy: 1.0342755376327182
Energy: 0.9025671081405975
Energy: 0.9018300218089328
Energy: 1.027623715920484
Energy: 0.9018300218089328
Energy: 0.9025671081405975
Energy: 0.9018300218089328
Energy: 1.0913623856028247
Energy: 1.3292461963224311
Energy: 1.0338797835781823
Energy: 1.3292461963212177
Energy: 1.0913623856016108
Energy: 1.3292461963224311
Energy: 1.0297817343371698
Energy: 1.3294496753087195
Energy: 1.2441277867435208
Energy: 1.3294496752856595
Energy: 1.0297817343371698
Energy: 1.3294496753111469
Energy: 1.070819706616167
Energy: 1.094536860202395
Energy: 0.8916526379225715
Energy: 1.094536860203609
Energy: 1.0708197066137397
Energy: 1.094536860203609
Energy: 0.9117420165319946
Energy: 1.0337352227348302
Energy: 1.2360488424810916
Energy: 1.033735222738471
Energy: 0.9117420165319946
Energy: 1.033735222736044
Energy: 1.1360017952334283
Energy: 1.4237604788911962
Energy: 0.9570890458139183
Energy: 1.42376047889241
Energy: 1.1360017952334283
Energy: 1.4237604788911962

minimum gb energy = 0.8916526379225715 eV
minimum distance =  2.24223729096305 Angstroms
sigma value = 33


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

Energy: 1.17114183219836
Energy: 1.492390089076097
Energy: 1.3457686558981365
Energy: 1.492390089076097
Energy: 1.17114183219836
Energy: 1.4923900890745572
Energy: 1.2444657962029475
Energy: 1.1664564275799594
Energy: 0.8184178850798793
Energy: 1.1664564275807294
Energy: 1.244465796202178
Energy: 1.1664564275776494
Energy: 0.8253971693244753
Energy: 0.9085761204010517
Energy: 1.2406096474533423
Energy: 0.908576120399512
Energy: 0.8253971693252451
Energy: 0.9085761204002819
Energy: 0.9094903646217274
Energy: 1.1341885725066525
Energy: 0.8343661949516296
Energy: 1.1341885725058825
Energy: 0.9094903646217274
Energy: 1.1341885725058825
Energy: 1.1412719956310824
Energy: 1.4967225227227867
Energy: 1.1392576868448465
Energy: 1.4967225227235568
Energy: 1.1412719956318524
Energy: 1.4967225227235568
Energy: 1.1424747901444265
Energy: 0.9348409745491985
Energy: 0.8297114403067614
Energy: 0.9348409745484285
Energy: 1.1424747901436563
Energy: 0.8429336801473468
Energy: 0.8264131604330887
Energy: 0.8419841234890522
Energy: 0.8546609636788148
Energy: 0.8419841234890522
Energy: 0.8264131604330887
Energy: 0.8419841234890522
Energy: 0.8411071393168353
Energy: 1.2165846320347888
Energy: 1.1486110215249536
Energy: 1.2165846320347888
Energy: 0.8411071393160653
Energy: 1.2165846320347888
Energy: 1.1365895475441519
Energy: 1.0678901996434973
Energy: 1.1420900180691353
Energy: 1.0678901996434973
Energy: 1.136589547543382
Energy: 1.0678901996450374
Energy: 0.8437936492347948
Energy: 1.0878916595112755
Energy: 0.8290365718053876
Energy: 1.0878916595105057
Energy: 0.8437936492347948
Energy: 1.0529420820844173
Energy: 0.819408119805281
Energy: 1.236868457141028
Energy: 0.8485586930867546
Energy: 1.236868457140258
Energy: 0.8194081198045112
Energy: 1.236868457140258
Energy: 0.8262825306733826
Energy: 0.9082049617834616
Energy: 1.2454097212532809
Energy: 0.9082049617834616
Energy: 0.8262825306733826
Energy: 0.9082049617834616
Energy: 1.1500505893061548
Energy: 1.361824063307701
Energy: 1.170767698952927
Energy: 1.361824063307701
Energy: 1.1500505893061548
Energy: 1.3618240633023113
Energy: 0.8186097729659764
Energy: 1.1674451850742886
Energy: 0.8329053597241354
Energy: 1.1674451850742886
Energy: 0.8186097729659764
Energy: 1.1674451850750587
Energy: 1.1751585482430733
Energy: 0.9085049901491966
Energy: 0.8212005869862516
Energy: 0.9085049901484266
Energy: 1.1751585482423033
Energy: 0.9085049901484266
Energy: 0.8343390061035026
Energy: 1.1344498667550442
Energy: 1.2446357843866875
Energy: 1.1344498667558143
Energy: 0.8343390061035026
Energy: 1.1344498667550442
Energy: 1.2804893334452758
Energy: 1.498096956145004
Energy: 1.1319540921894933
Energy: 1.498096956145774
Energy: 1.2804893334452758
Energy: 1.498096956145774
Energy: 0.8222555659647343
Energy: 0.8414293104308116
Energy: 1.008746461818207
Energy: 0.8414293104308116
Energy: 0.8222555659647343
Energy: 0.8414293104308116
Energy: 0.9793747914090997
Energy: 0.841177713543908
Energy: 0.8215455859760827
Energy: 0.8411777135431382
Energy: 0.9793747914098697
Energy: 0.8411777135431382
Energy: 1.1344143566578164
Energy: 1.4966270558835155
Energy: 0.8439060140202765
Energy: 1.4966270558827455
Energy: 1.1344143566578164
Energy: 1.4966270558835155
Energy: 1.2510624560891916
Energy: 1.3119859223607733
Energy: 0.8371078958512188
Energy: 1.3119859223607733
Energy: 1.2510624560891916
Energy: 1.3119859223607733
Energy: 0.8221491809591227
Energy: 0.8414721181261147
Energy: 1.1372122213377198
Energy: 0.8414721181284245
Energy: 0.8221491809591227
Energy: 0.8414721181245749
Energy: 0.8431218119940155
Energy: 1.168837994710411
Energy: 0.8215523973799524
Energy: 1.1688379947288896
Energy: 0.8431218119940155
Energy: 1.16883799472658
Energy: 1.1878904507017152
Energy: 1.0509163506779655
Energy: 0.8181204608173247
Energy: 1.0509163506795054
Energy: 1.1878904507009453
Energy: 1.0509163506787356
Energy: 1.2415133293108336
Energy: 0.9076159173652947
Energy: 0.8187554901860877
Energy: 0.9076159173652947
Energy: 1.2415133293108336
Energy: 0.9076159173645248
Energy: 0.843894887779389
Energy: 1.2793726935746534
Energy: 0.8266517594539706
Energy: 1.2793726935746534
Energy: 0.843894887779389
Energy: 1.2793726935746534
Energy: 0.8254051450937355
Energy: 1.0089214239602387
Energy: 1.1389775753130493
Energy: 1.0089214239610087
Energy: 0.8254051450945055
Energy: 1.0089214239602387
Energy: 1.1422800515876188
Energy: 1.0515692524270863
Energy: 0.8422908489435817
Energy: 1.0515692524263165
Energy: 1.142280051586849
Energy: 1.0515692524270863
Energy: 1.141282267537789
Energy: 1.3874397940257641
Energy: 0.8414575863733804
Energy: 1.387439794024994
Energy: 1.141282267538559
Energy: 1.3874397940242242
Energy: 0.840865293103236
Energy: 0.8412867983824543
Energy: 0.8226696812691169
Energy: 0.8412867983824543
Energy: 0.840865293103236
Energy: 0.8412867983824543
Energy: 0.8255484520985379
Energy: 1.0293211865948073
Energy: 1.2507231098859484
Energy: 1.0293211865948073
Energy: 0.8255484520985379
Energy: 1.0293211865963474
Energy: 0.9792494011582468
Energy: 1.4967002453813263
Energy: 1.1343571362477152
Energy: 1.4967002453813263
Energy: 0.9792494010959165
Energy: 1.4967002453813263
Energy: 0.8334432706018681
Energy: 1.1374748230941603
Energy: 1.2397675029516673
Energy: 1.13747482309339
Energy: 0.8334432706018681
Energy: 1.1374748230926204
Energy: 1.2403206110040557
Energy: 0.9085310746823185
Energy: 0.8221028915776668
Energy: 0.9085310746823185
Energy: 1.2403206110032856
Energy: 0.9085310746823185
Energy: 0.8175395184506009
Energy: 1.1669711120050295
Energy: 1.0477353056272816
Energy: 1.1669711120050295
Energy: 0.8175395184506009
Energy: 1.1669711120050295
Energy: 1.1515299605027658
Energy: 1.4907474346292724
Energy: 1.174411018099634
Energy: 1.4907474346300422
Energy: 1.151529960503536
Energy: 1.4907474346300422
Energy: 0.8207124417472997
Energy: 1.33070987965145
Energy: 1.2475445789304467
Energy: 1.3307098796506802
Energy: 0.8207124417472997
Energy: 1.3307098796506802

minimum gb energy = 0.8175395184506009 eV
minimum distance =  2.23764375764771 Angstroms
sigma value = 41


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

Energy: 0.655381673213402
Energy: 1.5315875898387756
Energy: 1.5042961203855167
Energy: 1.5315875898366733
Energy: 0.655381673213402
Energy: 1.5315875898387756
Energy: 1.2402288736052791
Energy: 0.6241746598625558
Energy: 0.6274379992318313
Energy: 0.6241746598625558
Energy: 1.2402288736052791
Energy: 0.6241746598625558
Energy: 0.6521559504735027
Energy: 0.8831589130860046
Energy: 0.6299470809957195
Energy: 0.8831589130860046
Energy: 0.6521559504735027
Energy: 0.8831589130860046
Energy: 1.293802914258516
Energy: 0.6241778137791048
Energy: 0.6276954828673915
Energy: 0.6241778137791048
Energy: 1.293802914968764
Energy: 0.6241778137791048
Energy: 0.6526853686432862
Energy: 1.1105890301570838
Energy: 0.6289129768305414
Energy: 1.1105890298566161
Energy: 0.6526853686432862
Energy: 1.1105890300352053
Energy: 0.6538604383060328
Energy: 0.6691831131476911
Energy: 0.6276204096560111
Energy: 0.6691831131476911
Energy: 0.6538604383060328
Energy: 0.6691831131476911
Energy: 1.2941868522861824
Energy: 0.6237437820935954
Energy: 0.6275892484047579
Energy: 0.6237437820935954
Energy: 1.2941868522861824
Energy: 0.6237437820935954
Energy: 0.6517511588408917
Energy: 0.6240638419292296
Energy: 0.6288932632497508
Energy: 0.6240638419292296
Energy: 0.6517511588408917
Energy: 0.6240638419292296
Energy: 1.2014652658489213
Energy: 0.6690379281080453
Energy: 0.6275905145916223
Energy: 0.6690379281080453
Energy: 1.2014652658489213
Energy: 0.6690379281080453
Energy: 0.6559216275941343
Energy: 1.1141245361321268
Energy: 0.629859515368434
Energy: 1.1141245361321268
Energy: 0.6559216275962364
Energy: 1.1141245361321268
Energy: 1.2089295260727595
Energy: 0.624075525669907
Energy: 0.6270498474552024
Energy: 0.624075525669907
Energy: 1.2089295260727595
Energy: 0.624075525669907
Energy: 0.6509425292744122
Energy: 0.8831630578427992
Energy: 1.217595213903732
Energy: 0.8831630578427992
Energy: 0.6509425292744122
Energy: 0.8831630578427992
Energy: 1.2092960561378365
Energy: 0.6240641915063961
Energy: 0.6270589624581177
Energy: 0.6240641915063961
Energy: 1.2092960561378365
Energy: 0.6240641915063961
Energy: 0.6559141647991178
Energy: 1.1096456792964215
Energy: 0.6300213326176414
Energy: 1.1096456792964215
Energy: 0.6559141647991178
Energy: 1.1096456792964215

minimum gb energy = 0.6237437820935954 eV
minimum distance =  2.2740641169264 Angstroms
sigma value = 11


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

Energy: 1.384569303369737
Energy: 1.6817012135283076
Energy: 1.413934198859552
Energy: 1.6817012135283076
Energy: 1.3845693033688138
Energy: 1.6817012135283076
Energy: 0.9417803010642601
Energy: 1.3957215415206203
Energy: 0.9419194490410825
Energy: 1.3957215415206203
Energy: 0.9417803010651835
Energy: 1.3957215415206203
Energy: 0.942759590653651
Energy: 1.1594621422357083
Energy: 0.9442132138182409
Energy: 1.1594621422357083
Energy: 0.942759590653651
Energy: 1.1594621422357083
Energy: 0.9740280063141232
Energy: 0.9762768399250473
Energy: 0.943013387333157
Energy: 0.9762768399250473
Energy: 0.9740280063141232
Energy: 0.9762768399250473
Energy: 0.9432119795509304
Energy: 1.040550437501428
Energy: 0.975076019649517
Energy: 1.0405504375060457
Energy: 0.9432119795518539
Energy: 1.0405504375041987
Energy: 0.9731485264487684
Energy: 1.2088164474643956
Energy: 0.9429978258536192
Energy: 1.2088164474643956
Energy: 0.9731485264487684
Energy: 1.2088164474643956
Energy: 0.9741880097384689
Energy: 0.9432407734697433
Energy: 0.9689302283125791
Energy: 0.9432407734706669
Energy: 0.9741880097393923
Energy: 0.9432407734706669
Energy: 0.9427862444052942
Energy: 0.9756058487120812
Energy: 0.9441214164497553
Energy: 0.9756058487120812
Energy: 0.9427862444052942
Energy: 0.9756058487120812
Energy: 0.9405982774248667
Energy: 1.0718116059826719
Energy: 0.9416599150927267
Energy: 1.0718116059835956
Energy: 0.9405982774285607
Energy: 1.0718116059826719
Energy: 0.9414211621140035
Energy: 0.9754964904974152
Energy: 0.9742352771652387
Energy: 0.9754964905334099
Energy: 0.9414211621140035
Energy: 0.9754964905361804
Energy: 0.9568999761507689
Energy: 1.3486928723417801
Energy: 0.9699539322512752
Energy: 1.3486928723427036
Energy: 0.9568999761507689
Energy: 1.3486928723417801
Energy: 0.9424578797990724
Energy: 1.0339177882068553
Energy: 0.9705289333377214
Energy: 1.0339177882059318
Energy: 0.9424578797990724
Energy: 1.0339177882050083
Energy: 0.9451938605757707
Energy: 1.2244037779717571
Energy: 1.0054643287390244
Energy: 1.2244037779726806
Energy: 0.9451938605757707
Energy: 1.2244037779708339
Energy: 0.9749721579051138
Energy: 1.0714805347025613
Energy: 0.9745712528749139
Energy: 1.0714805347034848
Energy: 0.9749721579051138
Energy: 1.0714805347034848
Energy: 0.9417458043099046
Energy: 1.332834893364399
Energy: 0.942763807077359
Energy: 1.3328348933625522
Energy: 0.9417458043099046
Energy: 1.3328348933634757
Energy: 0.9738721506776362
Energy: 1.3580626039765273
Energy: 0.9694068533711034
Energy: 1.3580626039765273
Energy: 0.9738721506776362
Energy: 1.358062603975604
Energy: 0.9696305655502622
Energy: 1.357715908663176
Energy: 0.9422602628207888
Energy: 1.357715908663176
Energy: 0.9696305655502622
Energy: 1.357715908663176
Energy: 0.9436224804260895
Energy: 1.170705905364291
Energy: 0.9416412897563137
Energy: 1.170705905364291
Energy: 0.9436224804260895
Energy: 1.170705905364291
Energy: 0.9757798651285803
Energy: 1.2226120167932606
Energy: 0.9746288217055937
Energy: 1.2226120167932606
Energy: 0.9757798651285803
Energy: 1.2226120167932606
Energy: 0.9453687293258888
Energy: 1.2264356762157067
Energy: 0.9443695005830088
Energy: 1.2264356762147837
Energy: 0.9453687293268122
Energy: 1.2264356762157067
Energy: 0.9698669206655118
Energy: 1.031981673533972
Energy: 0.9433136957190038
Energy: 1.031981673533972
Energy: 0.9698669206655118
Energy: 1.031981673533972
Energy: 0.9694551005502434
Energy: 1.3489630394648895
Energy: 0.974195293703025
Energy: 1.3489630394648895
Energy: 0.9694551005520905
Energy: 1.3489630394648895
Energy: 1.1193044390769664
Energy: 1.3944873021227218
Energy: 0.9413555490318958
Energy: 1.3944873021227218
Energy: 1.1193044390769664
Energy: 1.3944873021227218
Energy: 0.9429387447549781
Energy: 1.0715806014971805
Energy: 0.9409560921818225
Energy: 1.0715806014981037
Energy: 0.9429387447549781
Energy: 1.0715806014981037
Energy: 0.9434816831330685
Energy: 0.9771378938610542
Energy: 0.9430242615252784
Energy: 0.9771378938610542
Energy: 0.943481683132145
Energy: 0.9771378938610542
Energy: 0.9699929752663725
Energy: 0.9437343140485992
Energy: 0.9740823967312007
Energy: 0.9437343146412008
Energy: 0.9699929752654489
Energy: 0.9437343142581244
Energy: 0.9440647244131278
Energy: 1.0335767048896862
Energy: 0.9425902907969638
Energy: 1.0335767049007683
Energy: 0.9440647244140513
Energy: 1.0335767049386098
Energy: 0.9739553242874497
Energy: 1.040715219509484
Energy: 0.9730365986158598
Energy: 1.040715219911009
Energy: 0.9739553242874497
Energy: 1.040715219576856
Energy: 0.943828572245042
Energy: 0.9748303340203386
Energy: 0.9741702097829359
Energy: 0.9748303340194152
Energy: 0.943828572245042
Energy: 0.9748303340203386
Energy: 0.9457118416171512
Energy: 0.9740427045770572
Energy: 0.9428671691361067
Energy: 0.9740427062358169
Energy: 0.9457118416171512
Energy: 0.9740427109471617
Energy: 0.9416689590062357
Energy: 1.3948609689510005
Energy: 0.9418405689710412
Energy: 1.3948609689510005
Energy: 0.9416689590071593
Energy: 1.3948609689519242

minimum gb energy = 0.9405982774248667 eV
minimum distance =  2.24153254693401 Angstroms
sigma value = 57


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

Energy: 1.0960591276045366
Energy: 1.0960607832954545
Energy: 1.3465533766858255
Energy: 1.0960607832954545
Energy: 1.0960591276045366
Energy: 1.0960607832954545
Energy: 1.0935601955906809
Energy: 1.057930957953666
Energy: 1.057367209780865
Energy: 1.057930957953666
Energy: 1.0935601955923242
Energy: 1.1052497635909597
Energy: 1.0604053209434492
Energy: 1.1567496081507016
Energy: 1.0575264576951557
Energy: 1.1567496081507016
Energy: 1.0604053209434492
Energy: 1.1567496081507016
Energy: 1.0579088303237998
Energy: 1.2238940661397275
Energy: 1.057929405602985
Energy: 1.1416017078354244
Energy: 1.0579088303254431
Energy: 1.142425327070277
Energy: 1.0576150057204652
Energy: 1.1566830361911287
Energy: 1.06038762443691
Energy: 1.1566830361911287
Energy: 1.0576150057204652
Energy: 1.1566830361894853
Energy: 1.057212076832453
Energy: 1.0581238900596437
Energy: 1.0936887865142964
Energy: 1.0581238900596437
Energy: 1.057212076832453
Energy: 1.0581238900596437
Energy: 1.2237010650603073
Energy: 1.0960607832954545
Energy: 1.0960591276061797
Energy: 1.0960607832954545
Energy: 1.2237010650619506
Energy: 1.0960607832954545
Energy: 1.0573672097792217
Energy: 1.1354564661460533
Energy: 1.0935601955906809
Energy: 1.13545646614441
Energy: 1.0573672097792217
Energy: 1.13545646614441
Energy: 1.0575264576951557
Energy: 1.1567496081507016
Energy: 1.0604053209434492
Energy: 1.1567496081507016
Energy: 1.0575264576951557
Energy: 1.1567496081507016
Energy: 1.057929405602985
Energy: 1.201786396206356
Energy: 1.0579088303254431
Energy: 1.1424253270686338
Energy: 1.057929405602985
Energy: 1.1416017078403171
Energy: 1.06038762443691
Energy: 1.1566830361894853
Energy: 1.0576150057204652
Energy: 1.1566830361894853
Energy: 1.06038762443691
Energy: 1.1566830361894853
Energy: 1.0936887865142964
Energy: 1.0581238900596437
Energy: 1.057212076832453
Energy: 1.0581238900596437
Energy: 1.0936887865142964
Energy: 1.0581238900596437
Energy: 1.0960591276045366
Energy: 1.0960607832954545
Energy: 1.2237010650603073
Energy: 1.0960607832954545
Energy: 1.0960591276045366
Energy: 1.0960607832954545
Energy: 1.0935601955906809
Energy: 1.1052497635909597
Energy: 1.0573672097792217
Energy: 1.105249763592603
Energy: 1.0935601955906809
Energy: 1.1052497635909597
Energy: 1.0604053209434492
Energy: 1.1567496081507016
Energy: 1.0575264576951557
Energy: 1.1567496081507016
Energy: 1.0604053209434492
Energy: 1.1567496081507016
Energy: 1.0579088303237998
Energy: 1.1424253270669904
Energy: 1.057929405602985
Energy: 1.199599701370288
Energy: 1.0579088303254431
Energy: 1.1424253270686338
Energy: 1.0576150057204652
Energy: 1.1566830361894853
Energy: 1.06038762443691
Energy: 1.1566830361911287
Energy: 1.0576150057204652
Energy: 1.1566830361894853

minimum gb energy = 1.057212076832453 eV
minimum distance =  2.27934395513003 Angstroms
sigma value = 9


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

Energy: 1.153626502399505
Energy: 1.26857546574557
Energy: 1.231630794970401
Energy: 1.268575465744228
Energy: 1.153626502399505
Energy: 1.268575465744228
Energy: 1.049583722996568
Energy: 1.1301807134750874
Energy: 1.066421345137584
Energy: 1.1301807134764292
Energy: 1.049583722996568
Energy: 1.1301807134764292
Energy: 1.086535449657676
Energy: 1.1336714427761652
Energy: 1.069445587730594
Energy: 1.1336714427761652
Energy: 1.086535449657676
Energy: 1.1336714427748233
Energy: 1.08650428249897
Energy: 1.1103967714561191
Energy: 1.0334554053914056
Energy: 1.1103967714561191
Energy: 1.08650428249897
Energy: 1.1103967714561191
Energy: 1.028659041464549
Energy: 1.275426726196753
Energy: 1.0695628934973365
Energy: 1.275426726196753
Energy: 1.028659041464549
Energy: 1.275426726196753
Energy: 1.086338902749858
Energy: 1.1147603017026055
Energy: 1.1078341611764193
Energy: 1.1147603017026055
Energy: 1.086338902749858
Energy: 1.1147603017026055
Energy: 1.089192155686678
Energy: 1.1469144980775894
Energy: 1.069893025386989
Energy: 1.1469144980775894
Energy: 1.089192155686678
Energy: 1.1469144980775894
Energy: 1.073950613774172
Energy: 1.1024046046801586
Energy: 1.0662819109588595
Energy: 1.1024046046801586
Energy: 1.073950613774172
Energy: 1.1024046046801586
Energy: 1.0242050021690794
Energy: 1.1275895418175328
Energy: 1.0333305207807246
Energy: 1.1275895418175328
Energy: 1.0242050021690794
Energy: 1.1275895418175328
Energy: 1.132441865076842
Energy: 1.1694375510911417
Energy: 1.0663942107041078
Energy: 1.169437551088458
Energy: 1.132441865076842
Energy: 1.1694375510911417
Energy: 1.0895643160799537
Energy: 1.1595585650273337
Energy: 1.0520149616939032
Energy: 1.1595585650273337
Energy: 1.0895643160799537
Energy: 1.1595585650273337
Energy: 1.0864179486337444
Energy: 1.139591067290224
Energy: 1.0617005750847364
Energy: 1.139591067290224
Energy: 1.0864179486337444
Energy: 1.139591067290224
Energy: 1.0889118473993824
Energy: 1.1080437423999463
Energy: 1.0712893002791328
Energy: 1.1080437423986045
Energy: 1.0889118473993824
Energy: 1.1080437423972629
Energy: 1.0866551874124757
Energy: 1.1665798681887378
Energy: 1.0357232679152995
Energy: 1.1665798681887378
Energy: 1.0866551874124757
Energy: 1.1665798681887378
Energy: 1.129060466606356
Energy: 1.1479073859673996
Energy: 1.08541830896893
Energy: 1.1479073859687414
Energy: 1.129060466606356
Energy: 1.1479073859673996
Energy: 1.0228450440979902
Energy: 1.127384257364782
Energy: 1.0311366047562722
Energy: 1.127384257364782
Energy: 1.0228450440979902
Energy: 1.127384257364782
Energy: 1.0706453154741304
Energy: 1.1447251961720837
Energy: 1.0322270633801114
Energy: 1.1447251961720837
Energy: 1.0706453154741304
Energy: 1.1447251961720837
Energy: 1.126566566403025
Energy: 1.14707526684735
Energy: 1.0664715097549564
Energy: 1.14707526684735
Energy: 1.126566566403025
Energy: 1.1470752668460082
Energy: 1.0907450333311126
Energy: 1.0885269139582943
Energy: 1.0322215982732512
Energy: 1.0885269139582943
Energy: 1.0907450333311126
Energy: 1.0885269139582943
Energy: 1.0862627579580524
Energy: 1.2701198914047203
Energy: 1.0668369140775318
Energy: 1.2701198914047203
Energy: 1.0862627579580524
Energy: 1.2701198914033782
Energy: 1.0897043263950343
Energy: 1.1380437367664098
Energy: 1.063605965645313
Energy: 1.1380437367650682
Energy: 1.0897043263950343
Energy: 1.1380437367650682

minimum gb energy = 1.0228450440979902 eV
minimum distance =  2.28042612967014 Angstroms
sigma value = 27


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

Energy: 1.2005716309978118
Energy: 1.0669240851178468
Energy: 1.2710951860083815
Energy: 1.0669240849991404
Energy: 1.2005716309978118
Energy: 1.066924084916601
Energy: 1.0535590145996843
Energy: 1.2244946654481095
Energy: 1.0540470157256148
Energy: 1.2244946655555313
Energy: 1.0535590145996843
Energy: 1.2244946654809095
Energy: 1.0696781377689477
Energy: 1.0698701586874015
Energy: 1.053678909959134
Energy: 1.0698701586885324
Energy: 1.0696781377689477
Energy: 1.0698701586874015
Energy: 1.0568897208470465
Energy: 1.222599239701243
Energy: 1.0994838174952977
Energy: 1.222599239701243
Energy: 1.0568897208470465
Energy: 1.222599239701243
Energy: 1.0552254493741238
Energy: 1.3085162847918026
Energy: 1.0528067812018742
Energy: 1.3085162847929335
Energy: 1.0552254493741238
Energy: 1.3085162847929335
Energy: 1.0738454431539253
Energy: 1.0771347721671356
Energy: 1.1170999278962592
Energy: 1.0771347721660045
Energy: 1.0738454431539253
Energy: 1.0771347721671356
Energy: 1.0566139127036434
Energy: 1.224208318869122
Energy: 1.0538350960352352
Energy: 1.224208318869122
Energy: 1.0566139127036434
Energy: 1.224208318869122
Energy: 1.0527773288505944
Energy: 1.153699160737622
Energy: 1.0531690406663794
Energy: 1.153699160737622
Energy: 1.0527773288517253
Energy: 1.153699160737622
Energy: 1.1522558319119973
Energy: 1.1973187140327224
Energy: 1.1704237310100691
Energy: 1.1973187140327224
Energy: 1.1522558319131286
Energy: 1.1973187140327224
Energy: 1.0534067862508212
Energy: 1.2672549926129955
Energy: 1.0985344779677424
Energy: 1.2672549926129955
Energy: 1.0534067862519523
Energy: 1.2672549926129955
Energy: 1.0533440375428862
Energy: 1.266773377316572
Energy: 1.0989527468993205
Energy: 1.2667733773177028
Energy: 1.053344037541755
Energy: 1.2667733773177028
Energy: 1.1524038627502802
Energy: 1.197365325956727
Energy: 1.170509607960838
Energy: 1.197365325956727
Energy: 1.1524038627502802
Energy: 1.197365325956727
Energy: 1.0527924236652209
Energy: 1.1534219514930784
Energy: 1.0531387300935224
Energy: 1.1534219514930784
Energy: 1.0527924236640898
Energy: 1.1534219514930784
Energy: 1.0563655913841454
Energy: 1.2242381278695813
Energy: 1.0534681554156224
Energy: 1.2242381278695813
Energy: 1.0563655913841454
Energy: 1.2242381278695813
Energy: 1.0739614338507735
Energy: 1.076250694337121
Energy: 1.117110226017176
Energy: 1.076250694337121
Energy: 1.0739614338507735
Energy: 1.0762506943382522
Energy: 1.055190707973919
Energy: 1.3085162847929335
Energy: 1.0532825959543397
Energy: 1.3085162847929335
Energy: 1.055190707973919
Energy: 1.3085162847940646
Energy: 1.056899190335615
Energy: 1.222568897254352
Energy: 1.0785600762309668
Energy: 1.222568897254352
Energy: 1.056899190335615
Energy: 1.222568897254352
Energy: 1.0696555014822817
Energy: 1.0698966168053086
Energy: 1.0541989613582974
Energy: 1.0698966168053086
Energy: 1.0696555014822817
Energy: 1.0698966168064397
Energy: 1.053547480103137
Energy: 1.2243000187515933
Energy: 1.0536630428530755
Energy: 1.2243000187515933
Energy: 1.053547480103137
Energy: 1.2243000187515933
Energy: 1.2005716309978118
Energy: 1.0669240849392214
Energy: 1.1961119407574081
Energy: 1.0669240849719956
Energy: 1.2005716309978118
Energy: 1.0669240850884403
Energy: 1.0535590145996843
Energy: 1.2244946654255147
Energy: 1.0540470157244834
Energy: 1.2244946654085491
Energy: 1.0535590145996843
Energy: 1.2244946654119422
Energy: 1.0696781377689477
Energy: 1.0698701586874015
Energy: 1.0536789099568717
Energy: 1.0698701586874015
Energy: 1.0696781377689477
Energy: 1.0698701586874015
Energy: 1.0568897208470465
Energy: 1.222599239701243
Energy: 1.135366423543341
Energy: 1.222599239701243
Energy: 1.0568897208470465
Energy: 1.222599239701243
Energy: 1.0552254493741238
Energy: 1.3085162847929335
Energy: 1.0528067812018742
Energy: 1.3085162847929335
Energy: 1.0552254493741238
Energy: 1.3085162847929335
Energy: 1.0738454431539253
Energy: 1.0771347721671356
Energy: 1.1170999278962592
Energy: 1.0771347721671356
Energy: 1.0738454431539253
Energy: 1.0771347721671356

minimum gb energy = 1.0527773288505944 eV
minimum distance =  2.30048327653431 Angstroms
sigma value = 19


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

Energy: 1.3122539728156677
Energy: 1.0363704517555006
Energy: 1.2587219486123593
Energy: 1.036370451756477
Energy: 1.3122539728156677
Energy: 1.0363704517633112
Energy: 1.0271378481813245
Energy: 1.1326117305038104
Energy: 1.016604539034595
Energy: 1.1326117305038104
Energy: 1.0271378481813245
Energy: 1.1326117305038104
Energy: 1.0340073935967204
Energy: 1.1663154623433223
Energy: 1.016638617472835
Energy: 1.1663154623442986
Energy: 1.0340073935967204
Energy: 1.1663154623433223
Energy: 1.01949942964836
Energy: 1.175931726571728
Energy: 1.0431674894899188
Energy: 1.175931726571728
Energy: 1.01949942964836
Energy: 1.175931726571728
Energy: 1.0194488644311817
Energy: 1.0377875520065039
Energy: 1.0487042908479463
Energy: 1.0377875520074802
Energy: 1.0194488644311817
Energy: 1.0377875520065039
Energy: 1.0335063430595661
Energy: 1.1238177221693442
Energy: 1.0387316313972468
Energy: 1.1238177221703203
Energy: 1.0335063430595661
Energy: 1.1238177221693442
Energy: 1.0194126763924019
Energy: 1.2364675917712311
Energy: 1.047300850839946
Energy: 1.2364675917712311
Energy: 1.0194126763924019
Energy: 1.2364675917712311
Energy: 1.028946057158581
Energy: 1.1524969811919124
Energy: 1.0374491773540688
Energy: 1.1524969811919124
Energy: 1.028946057158581
Energy: 1.1524969811919124
Energy: 1.0202211054465316
Energy: 1.1717753611002522
Energy: 1.0710554941467592
Energy: 1.1717753611002522
Energy: 1.0202211054475079
Energy: 1.1717753611002522
Energy: 1.0270316365314844
Energy: 1.2105735636450106
Energy: 1.016883978620783
Energy: 1.2105735636450106
Energy: 1.0270316365314844
Energy: 1.2105735636450106
Energy: 1.0345397370007274
Energy: 1.166904804284616
Energy: 1.0379139840937341
Energy: 1.166904804285592
Energy: 1.0345397370007274
Energy: 1.166904804285592
Energy: 1.0458007481557916
Energy: 1.2085736433339858
Energy: 1.01402630541521
Energy: 1.2085736433330094
Energy: 1.0458007481557916
Energy: 1.2085736433330094
Energy: 1.0460105049175143
Energy: 1.017850446182398
Energy: 1.0170900734652724
Energy: 1.017850446182398
Energy: 1.0460105049175143
Energy: 1.017850446182398
Energy: 1.0396817843722175
Energy: 1.1673398457253492
Energy: 1.048622558562764
Energy: 1.1673398457253492
Energy: 1.0396817843722175
Energy: 1.1673398457253492
Energy: 1.0345822037591366
Energy: 1.1875540889961391
Energy: 1.0171314234231414
Energy: 1.1875540889961391
Energy: 1.0345822037591366
Energy: 1.1875540889961391
Energy: 1.0328374726753524
Energy: 1.1673334602516763
Energy: 1.0168872813476841
Energy: 1.1673334602516763
Energy: 1.0328374726753524
Energy: 1.1673334602516763
Energy: 1.0333850883040896
Energy: 1.1638654806509323
Energy: 1.0136257730554175
Energy: 1.1638654806509323
Energy: 1.0333850883040896
Energy: 1.1638654806509323
Energy: 1.0324338831538666
Energy: 1.1300022996352688
Energy: 1.0167167735903806
Energy: 1.1300022996352688
Energy: 1.0324338831538666
Energy: 1.1300022996352688
Energy: 1.0334107904896468
Energy: 1.163910299163457
Energy: 1.0136025383852945
Energy: 1.163910299163457
Energy: 1.0334107904896468
Energy: 1.163910299163457
Energy: 1.0329979274012417
Energy: 1.1671806634983415
Energy: 1.016908178361911
Energy: 1.1671806634983415
Energy: 1.0329979274012417
Energy: 1.1671806634983415
Energy: 1.0345905880450872
Energy: 1.187667938531469
Energy: 1.0171151863997474
Energy: 1.187667938531469
Energy: 1.0345905880450872
Energy: 1.187667938531469
Energy: 1.0396188438736256
Energy: 1.1672889582570662
Energy: 1.0486575129380054
Energy: 1.1672889582570662
Energy: 1.0396188438726492
Energy: 1.1672889582560901
Energy: 1.0459723422912046
Energy: 1.017550482940806
Energy: 1.0170880784471559
Energy: 1.0175504829398296
Energy: 1.0459723422902283
Energy: 1.0175504829398296
Energy: 1.0458869402419926
Energy: 1.0431772531761259
Energy: 1.0140203043236127
Energy: 1.0431772547726303
Energy: 1.0458869402419926
Energy: 1.043177255088816
Energy: 1.0345705740145419
Energy: 1.1667829917953998
Energy: 1.0379284493633896
Energy: 1.1667829917953998
Energy: 1.0345705740145419
Energy: 1.1667829917953998
Energy: 1.0195302438973173
Energy: 1.210660871719809
Energy: 1.0168463491570585
Energy: 1.210660871719809
Energy: 1.0195302438973173
Energy: 1.210660871719809
Energy: 1.0202168712523272
Energy: 1.1716176298273817
Energy: 1.1156486800601486
Energy: 1.1716176298273817
Energy: 1.0202168712523272
Energy: 1.1716176298273817
Energy: 1.0285523438672266
Energy: 1.1525167852146236
Energy: 1.0374396978594649
Energy: 1.1525167852146236
Energy: 1.0285523438672266
Energy: 1.1525167852146236
Energy: 1.0194168822613188
Energy: 1.2364675917712311
Energy: 1.0473053227963622
Energy: 1.2364675917712311
Energy: 1.0194168822613188
Energy: 1.2364675917712311

minimum gb energy = 1.0136025383852945 eV
minimum distance =  2.27931389903835 Angstroms
sigma value = 101


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

Energy: 1.3608827055397095
Energy: 1.1799642344906947
Energy: 1.178238403744125
Energy: 1.179964234491553
Energy: 1.3608827055397095
Energy: 1.1799642344906947
Energy: 1.0141266754056348
Energy: 1.1041955550236426
Energy: 1.0135096012535127
Energy: 1.1041955550227847
Energy: 1.0141266754056348
Energy: 1.1041955550227847
Energy: 1.0082795023868085
Energy: 1.1508858985543058
Energy: 1.0406522377387617
Energy: 1.1508858985543058
Energy: 1.0082795023868085
Energy: 1.1508858985551638
Energy: 1.019318199728603
Energy: 1.1505699327232803
Energy: 1.0076883867174522
Energy: 1.1614134575728048
Energy: 1.019318199728603
Energy: 1.1314187090747123
Energy: 0.9918037126791721
Energy: 1.1034860477798196
Energy: 1.013907429957233
Energy: 1.103486047780678
Energy: 0.9918037126791721
Energy: 1.103486047780678
Energy: 1.00897849651717
Energy: 1.1290245682623212
Energy: 0.9924687161308422
Energy: 1.1290245682623212
Energy: 1.00897849651717
Energy: 1.1290245682623212
Energy: 1.0113338220036796
Energy: 1.1904524005948662
Energy: 0.9913172395881568
Energy: 1.1904524005957244
Energy: 1.0113338220036796
Energy: 1.1904524005948662
Energy: 1.008072419094659
Energy: 1.1600661027636268
Energy: 1.009235943851361
Energy: 1.1648335024948167
Energy: 1.008072419094659
Energy: 1.1600661027636268
Energy: 0.991271950474069
Energy: 1.1134564164797256
Energy: 1.0089426076176835
Energy: 1.1134564164797256
Energy: 0.991271950474069
Energy: 1.1134564164797256
Energy: 0.9927386754818442
Energy: 1.1248189769940593
Energy: 0.9926410781965072
Energy: 1.1248189769940593
Energy: 0.9927386754818442
Energy: 1.1248189769940593
Energy: 1.0343814487701135
Energy: 1.1147117556119623
Energy: 1.1991646337038318
Energy: 1.1147117556119623
Energy: 1.0343814487701135
Energy: 1.1147117556119623
Energy: 1.0130808934138198
Energy: 1.0866488531645118
Energy: 0.9919797086983462
Energy: 1.0866488509856362
Energy: 1.0130808934138198
Energy: 1.0866488504031853
Energy: 1.0407931392939014
Energy: 1.1513051993381835
Energy: 1.0014431176934757
Energy: 1.1513051993381835
Energy: 1.040793139293043
Energy: 1.1513051993381835
Energy: 1.0206252124435802
Energy: 1.0197629869402647
Energy: 1.0130806232726153
Energy: 1.0166407003024325
Energy: 1.0206252124435802
Energy: 1.0197629869402647
Energy: 0.9989436233686956
Energy: 1.0774862784019805
Energy: 1.0130474695115839
Energy: 1.0774862784019805
Energy: 0.9989436233686956
Energy: 1.0774862784011225
Energy: 1.0397332027144344
Energy: 1.1670517859151714
Energy: 1.0094202242875967
Energy: 1.1670517859151714
Energy: 1.0397332027144344
Energy: 1.1670517859151714
Energy: 0.9914942502463612
Energy: 1.1618060755024209
Energy: 1.0198512048004527
Energy: 1.1618060755024209
Energy: 0.9914942502463612
Energy: 1.1618060755024209
Energy: 1.0086465618242386
Energy: 1.0078464171869157
Energy: 0.9916936123567777
Energy: 1.0078464171869157
Energy: 1.0086465618242386
Energy: 1.0078464171869157
Energy: 1.0075399316233378
Energy: 1.1255730448210075
Energy: 1.0073325507326762
Energy: 1.1255730448201493
Energy: 1.0075399316233378
Energy: 1.1255730448210075
Energy: 0.9914879269915393
Energy: 1.1920779270124446
Energy: 0.9915341718367565
Energy: 1.192077927013303
Energy: 0.9914879269915393
Energy: 1.1920779270115864
Energy: 1.0243915706220896
Energy: 1.0983977777357095
Energy: 1.0076152745283367
Energy: 1.0983977777357095
Energy: 1.0243915706220896
Energy: 1.0983977777357095
Energy: 0.9921145764787522
Energy: 1.1127934390694973
Energy: 0.9924242239707771
Energy: 1.1127934390694973
Energy: 0.9921145764787522
Energy: 1.1127934390694973
Energy: 1.0089622452364027
Energy: 1.1256659897856278
Energy: 0.9911563978411377
Energy: 1.125665989786486
Energy: 1.0089622452364027
Energy: 1.1256659897856278
Energy: 1.019423656752048
Energy: 1.160891773480919
Energy: 1.0651954044371696
Energy: 1.1608917734817772
Energy: 1.019423656752048
Energy: 1.1608917734817772
Energy: 0.9915502907408786
Energy: 1.0817666809259474
Energy: 0.9913775454268106
Energy: 1.081766680925089
Energy: 0.9915502907408786
Energy: 1.0817666809259474
Energy: 1.0071495628460037
Energy: 1.15048992167964
Energy: 1.0253402188738994
Energy: 1.15048992167964
Energy: 1.0071495628451455
Energy: 1.15048992167964
Energy: 1.0141912998784892
Energy: 1.0190017412687495
Energy: 0.9911762770354163
Energy: 1.019001741267891
Energy: 1.0141912998776308
Energy: 1.019001741267891
Energy: 1.0130985881026398
Energy: 0.9921686755084889
Energy: 0.9927681769137838
Energy: 0.9921686755487856
Energy: 1.0130985881034982
Energy: 0.9921686755582261
Energy: 1.0621940908689202
Energy: 1.1522894694828838
Energy: 1.2059270976398042
Energy: 1.1522894694820256
Energy: 1.0621940908689202
Energy: 1.1522894694828838
Energy: 0.9914372419725508
Energy: 1.097729493863678
Energy: 0.9927150547177579
Energy: 1.097729493863678
Energy: 0.9914372419716926
Energy: 1.097729493864536
Energy: 1.0182500986255616
Energy: 1.158638093780388
Energy: 1.0079147331118055
Energy: 1.158638093780388
Energy: 1.0182500986247034
Energy: 1.158638093780388
Energy: 1.0069564418190347
Energy: 1.118335738369244
Energy: 0.9926246986481612
Energy: 1.118335738369244
Energy: 1.0069564418190347
Energy: 1.118335738369244
Energy: 0.9913519066367988
Energy: 1.064543434937458
Energy: 1.007970378993359
Energy: 1.064543434937458
Energy: 0.9913519066367988
Energy: 1.064543434937458

minimum gb energy = 0.9911563978411377 eV
minimum distance =  2.2932571863959 Angstroms
sigma value = 33


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

Energy: 0.015042786699215003
Energy: 0.015555654997214074
Energy: 1.4267318237314681
Energy: 0.015555654961006568
Energy: 0.015042786699215003
Energy: 0.01555565495890701
Energy: 0.015358857991778642
Energy: 0.570767761914863
Energy: 0.015358857991778642
Energy: 0.570767761914863
Energy: 0.015358857991778642
Energy: 0.570767761914863
Energy: 1.132251922965461
Energy: 0.015555654947062323
Energy: 0.015042786699215003
Energy: 0.015555654922659888
Energy: 1.132251922965461
Energy: 0.015555654905229581
Energy: 0.015358857991778642
Energy: 0.570767761914863
Energy: 0.015358857991778642
Energy: 0.570767761914863
Energy: 0.015358857991778642
Energy: 0.570767761914863

minimum gb energy = 0.015042786699215003 eV
minimum distance =  2.43819146525656 Angstroms
sigma value = 1