Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.810535640529527
mass=95.95
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: 0.0174070646253689
Energy: 0.018682856179304118
Energy: 1.4262791169129032
Energy: 0.018682856179718058
Energy: 0.0174070646253689
Energy: 0.018682856179304118
Energy: 0.018682856179304118
Energy: 22.719944713391286
Energy: 0.018682856179304118
Energy: 22.42615574505426
Energy: 0.018682856178890185
Energy: 22.400664232432668
Energy: 1.4262791169129032
Energy: 0.018682856179304118
Energy: 0.017407064625000957
Energy: 0.018682856178890185
Energy: 1.4262791169132714
Energy: 0.018682856179304118
Energy: 0.018682856178890185
Energy: 22.40552058589896
Energy: 0.018682856178890185
Energy: 22.47959032208787
Energy: 0.018682856179304118
Energy: 22.82418429751078
Energy: 0.0174070646253689
Energy: 0.018682856179304118
Energy: 1.4262791169129032
Energy: 0.018682856179304118
Energy: 0.0174070646253689
Energy: 0.018682856179718058
Energy: 0.018682856179304118
Energy: 22.38859897407174
Energy: 0.018682856178890185
Energy: 22.510056274645592
Energy: 0.018682856178890185
Energy: 22.383444010809743

minimum gb energy = 0.017407064625000957 eV
minimum distance =  1.62389124271713 Angstroms
sigma value = 1


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

Energy: 1.944521152053045
Energy: 1.9867300365935268
Energy: 2.142841889909422
Energy: 1.9867300365935268
Energy: 1.944521152053045
Energy: 1.9867300365935268
Energy: 1.9947416414088022
Energy: 1.9682357465142606
Energy: 1.8952641435094106
Energy: 1.9682357465142606
Energy: 1.9947416414088022
Energy: 1.9682357465142606
Energy: 2.0306426225804017
Energy: 1.9658835814250684
Energy: 1.9048625103908245
Energy: 1.9658835814250684
Energy: 2.0306426225804017
Energy: 1.9658835814250684
Energy: 2.0239992888487803
Energy: 1.9041885270804697
Energy: 2.019414464898239
Energy: 1.9041885270804697
Energy: 2.0239992888497764
Energy: 1.9041885270794732
Energy: 1.9925910827023936
Energy: 1.9915603058344606
Energy: 1.9721920991876403
Energy: 1.9915603058344606
Energy: 1.9925910827033901
Energy: 1.991560305833464
Energy: 1.8965864991027916
Energy: 1.966254213556741
Energy: 2.031995479934443
Energy: 1.9662542135577372
Energy: 1.8965864991047843
Energy: 1.9662542135577372
Energy: 1.89550710611509
Energy: 1.9676856083223309
Energy: 2.036955637600543
Energy: 1.9676856083223309
Energy: 1.8955071060583406
Energy: 1.9676856083223309
Energy: 1.9808741450530805
Energy: 1.9930023964919883
Energy: 2.012231806282152
Energy: 1.9930023964919883
Energy: 1.980874145062048
Energy: 1.9930023964919883
Energy: 1.951772708884599
Energy: 1.8946307733264598
Energy: 2.013895048882829
Energy: 1.8946307733284529
Energy: 1.951772708972236
Energy: 1.8946307733274563
Energy: 1.8990946300655023
Energy: 1.9660326501865946
Energy: 2.032821736264541
Energy: 1.966032650185598
Energy: 1.8990946300655023
Energy: 1.9660326501865946
Energy: 2.025924872506846
Energy: 1.9690433731855577
Energy: 1.9619968248478947
Energy: 1.969043373186554
Energy: 2.025924872506846
Energy: 1.9690433731855577
Energy: 2.022842589574493
Energy: 1.9890484883324306
Energy: 2.0102359503526452
Energy: 1.9890484883324306
Energy: 2.022842589574493
Energy: 1.9890484883324306
Energy: 1.899127153509276
Energy: 1.9690433731855577
Energy: 2.0555974644875854
Energy: 1.969043373186554
Energy: 1.8991271535102723
Energy: 1.9690433731855577
Energy: 2.0328421566763226
Energy: 1.9659995205328646
Energy: 1.8990826480912142
Energy: 1.9659995205318685
Energy: 2.0328421566763226
Energy: 1.9659995205318685
Energy: 2.0145344920996195
Energy: 1.8950270692674975
Energy: 1.9659869178077658
Energy: 1.8950270692674975
Energy: 2.0145344920996195
Energy: 1.8950270692674975
Energy: 2.012058381509352
Energy: 1.9981066505130756
Energy: 1.9803898279107568
Energy: 1.9981066505130756
Energy: 2.012058381509352
Energy: 1.9981066505140717
Energy: 2.036954865498164
Energy: 1.9678442741858424
Energy: 1.9245863980902904
Energy: 1.9678442741848459
Energy: 2.0369548654971674
Energy: 1.967844274182853
Energy: 2.032100279359888
Energy: 1.965673849900713
Energy: 1.9336732112394897
Energy: 1.965673849900713
Energy: 2.032100279359888
Energy: 1.965673849900713
Energy: 1.9617713757323476
Energy: 1.9915680546780752
Energy: 1.9958683746738926
Energy: 1.9915680546780752
Energy: 1.9617713757323476
Energy: 1.9915680546780752
Energy: 2.0119973009393988
Energy: 1.904269168638885
Energy: 1.947835537342384
Energy: 1.904269168638885
Energy: 2.0119973009384022
Energy: 1.904269168638885
Energy: 1.9083876099347625
Energy: 1.9655665423879816
Energy: 2.030384319252239
Energy: 1.9655665423879816
Energy: 1.9083876099347625
Energy: 1.9655665423879816
Energy: 1.9310056777408393
Energy: 1.9682287519813497
Energy: 2.000871744936286
Energy: 1.9682287519813497
Energy: 1.93100567787431
Energy: 1.9682287519813497
Energy: 2.1077660697835925
Energy: 1.9867300365925302
Energy: 1.944521152053045
Energy: 1.9867300365935268
Energy: 2.1077660697816
Energy: 1.9867300365935268

minimum gb energy = 1.8946307733264598 eV
minimum distance =  2.44189418300682 Angstroms
sigma value = 33


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

Energy: 2.399451176492896
Energy: 2.051191793243406
Energy: 2.1854768499970696
Energy: 2.051191793243406
Energy: 2.399451176492896
Energy: 2.051191793242839
Energy: 2.168789203647287
Energy: 2.011564731441129
Energy: 2.175776094771308
Energy: 2.0115647314416956
Energy: 2.168789203647854
Energy: 2.011564731441129
Energy: 2.0851913815840986
Energy: 2.045855552435687
Energy: 2.042280251667669
Energy: 2.045855552435687
Energy: 2.0851913815846657
Energy: 2.045855552435687
Energy: 2.0600277984726336
Energy: 1.9812896269616374
Energy: 2.0678824270570875
Energy: 1.9812896269616374
Energy: 2.0600277984726336
Energy: 1.9812896269616374
Energy: 2.0368266082204634
Energy: 2.0107362573098198
Energy: 2.0349349668733203
Energy: 2.0107362573098198
Energy: 2.0368266082278317
Energy: 2.0107362573098198
Energy: 2.093367961382862
Energy: 2.0125259015973262
Energy: 2.1360036105668256
Energy: 2.0125259015978934
Energy: 2.0933679613822953
Energy: 2.0125259015984605
Energy: 2.093440010970446
Energy: 2.020767180906279
Energy: 2.206816051794975
Energy: 2.020767180906846
Energy: 2.093440010970446
Energy: 2.020767180906846
Energy: 2.161721308492474
Energy: 2.0171217377674573
Energy: 2.2268524698727425
Energy: 2.0171217377674573
Energy: 2.1617213084919067
Energy: 2.0171217377674573
Energy: 2.0058179258872637
Energy: 1.980988608288147
Energy: 2.088924118628608
Energy: 1.980988608288147
Energy: 2.005817925890664
Energy: 1.980988608288147
Energy: 2.0027700892531506
Energy: 2.0468075226381917
Energy: 2.0076316634507574
Energy: 2.0468075226387583
Energy: 2.002770089252584
Energy: 2.0468075226387583
Energy: 2.0866279368650007
Energy: 2.0533355429955824
Energy: 2.1231559790584518
Energy: 2.0533355429950158
Energy: 2.086627936866701
Energy: 2.053335542994449
Energy: 2.0274335839554056
Energy: 2.0191703207537266
Energy: 2.0684784553865865
Energy: 2.0191703207537266
Energy: 2.0274335839554056
Energy: 2.0191703207537266
Energy: 2.062161895580267
Energy: 1.9811730287252283
Energy: 2.086022295858916
Energy: 1.9811730287252283
Energy: 2.062161896452641
Energy: 1.9811730287252283
Energy: 2.142071237886263
Energy: 2.0460140991509124
Energy: 2.4123739278870513
Energy: 2.0460140991509124
Energy: 2.1420712378873965
Energy: 2.0460140991509124
Energy: 2.0313955734998195
Energy: 2.016359177026871
Energy: 2.1573739217211862
Energy: 2.016359177025737
Energy: 2.031395573498686
Energy: 2.016359177026304
Energy: 2.0287573091904014
Energy: 2.012960191771347
Energy: 2.0811219809245847
Energy: 2.012960191771913
Energy: 2.0287573091881344
Energy: 2.012960191771913
Energy: 2.0511641713486903
Energy: 2.0210009504468984
Energy: 2.0355536413024202
Energy: 2.0210009504468984
Energy: 2.0511641713532245
Energy: 2.021000950447465
Energy: 2.0647886276133627
Energy: 2.0179070421355685
Energy: 2.1089993022921165
Energy: 2.0179070421355685
Energy: 2.06478862761563
Energy: 2.0179070421355685
Energy: 2.114534405212973
Energy: 2.017151341072405
Energy: 2.230530333052383
Energy: 2.017151341071839
Energy: 2.1145344052124058
Energy: 2.017151341072405
Energy: 2.0180227074596804
Energy: 1.981387530610863
Energy: 2.171745782685191
Energy: 1.98138753060973
Energy: 2.0180227074613812
Energy: 1.981387530610863
Energy: 2.048951613046234
Energy: 2.047243418268958
Energy: 2.1448791846732798
Energy: 2.047243418268391
Energy: 2.048951613046234
Energy: 2.047243418268391
Energy: 2.0886512511393494
Energy: 2.049516837273651
Energy: 2.158921874231319
Energy: 2.049516837273651
Energy: 2.0886512511393494
Energy: 2.049516837273084
Energy: 2.0050556966713606
Energy: 2.017305160160673
Energy: 2.0548125768143857
Energy: 2.0173051601612397
Energy: 2.0050556966713606
Energy: 2.017305160160673
Energy: 2.0495182364802127
Energy: 2.011446046376243
Energy: 2.094228575209502
Energy: 2.011446046376243
Energy: 2.049518236490414
Energy: 2.01144604637681
Energy: 2.0936690199514065
Energy: 2.0224232377109237
Energy: 2.0446923158207073
Energy: 2.0224232377109237
Energy: 2.0936690199502728
Energy: 2.0224232377109237
Energy: 2.123033147982256
Energy: 2.047194623176179
Energy: 2.1579704315066546
Energy: 2.0471946231750455
Energy: 2.1230331479856566
Energy: 2.0471946231750455
Energy: 2.122894012073542
Energy: 2.0469908414442126
Energy: 2.185065498845901
Energy: 2.0469908414442126
Energy: 2.122894012074109
Energy: 2.0469908414447793
Energy: 2.091977653732693
Energy: 2.022390549452743
Energy: 2.041991987998431
Energy: 2.02239054945331
Energy: 2.091977653733826
Energy: 2.022390549452743
Energy: 2.0858713733784953
Energy: 2.0114165870216745
Energy: 2.1241870865930816
Energy: 2.0114165870222416
Energy: 2.085871373379629
Energy: 2.0114165870222416
Energy: 2.0051975039657584
Energy: 2.0172381183749457
Energy: 2.032692230330382
Energy: 2.017238118375513
Energy: 2.0051975039646246
Energy: 2.017238118375513
Energy: 2.0911679950001067
Energy: 2.0495168372725177
Energy: 2.1508618304201153
Energy: 2.049516837273084
Energy: 2.0911679950001067
Energy: 2.0495168372725177
Energy: 2.048158713490108
Energy: 2.047243522928537
Energy: 2.1451392516202596
Energy: 2.047243522928537
Energy: 2.048158713489541
Energy: 2.047243522929103
Energy: 2.0179087577276755
Energy: 1.981471416180693
Energy: 2.171499969125814
Energy: 1.981471416180693
Energy: 2.017908757724842
Energy: 1.9814714161801261
Energy: 2.1146645084336764
Energy: 2.017248393136093
Energy: 2.408683264578494
Energy: 2.017248393136093
Energy: 2.1146645084342435
Energy: 2.01724839313666
Energy: 2.0879078259478643
Energy: 2.017613072745738
Energy: 2.102097183926818
Energy: 2.0176130727463053
Energy: 2.0879078259478643
Energy: 2.0176130727463053
Energy: 2.0773606452527895
Energy: 2.0214109334122674
Energy: 2.0337289592489163
Energy: 2.0214109334117003
Energy: 2.077360645253356
Energy: 2.0214109334117003
Energy: 2.078492496410278
Energy: 2.0137134436529203
Energy: 2.0649247650286595
Energy: 2.013713443652354
Energy: 2.078492496409712
Energy: 2.013713443651787
Energy: 2.0300853988697867
Energy: 2.0163837856595275
Energy: 2.114787081152526
Energy: 2.0163837856595275
Energy: 2.0300853988692196
Energy: 2.016383785658961
Energy: 2.140339134670752
Energy: 2.045902857530306
Energy: 2.412731989682396
Energy: 2.045902857530306
Energy: 2.140339134671886
Energy: 2.045902857530306
Energy: 2.047531078559145
Energy: 1.9812233866234663
Energy: 2.086311497779235
Energy: 1.9812233866228992
Energy: 2.047531078501337
Energy: 1.9812233866228992
Energy: 2.0275505919548586
Energy: 2.019159306393545
Energy: 2.0900906269031796
Energy: 2.019159306394111
Energy: 2.027550591954292
Energy: 2.019159306393545

minimum gb energy = 1.980988608288147 eV
minimum distance =  2.42887119478074 Angstroms
sigma value = 51


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

Energy: 2.090493856652762
Energy: 2.021305549110848
Energy: 2.4205424689616937
Energy: 2.021305549109534
Energy: 2.090493856652762
Energy: 2.021305549110848
Energy: 2.095029013779832
Energy: 2.2222132780692934
Energy: 2.31285742414214
Energy: 2.2222132780692934
Energy: 2.095029013779832
Energy: 2.2222132780692934
Energy: 2.095054762346397
Energy: 2.02174368087986
Energy: 2.1276465330584102
Energy: 2.02174368087986
Energy: 2.095054762346397
Energy: 2.02174368087986
Energy: 2.1452003845660212
Energy: 1.9670851472698154
Energy: 2.197088313127774
Energy: 1.9670851472711284
Energy: 2.1452003845660212
Energy: 1.9670851472711284
Energy: 2.111000323351183
Energy: 1.9674079457561306
Energy: 2.178016868356833
Energy: 1.9674079457561306
Energy: 2.111000323351183
Energy: 1.9674079457548177
Energy: 2.091402614142874
Energy: 1.96613510449711
Energy: 2.263883185696255
Energy: 1.9661351044984232
Energy: 2.091402614140247
Energy: 1.9661351044984232
Energy: 2.0968251526294384
Energy: 1.966704169603499
Energy: 2.1314084364296444
Energy: 1.966704169604812
Energy: 2.0968251021984337
Energy: 1.966704169604812
Energy: 2.112897833823597
Energy: 1.9663817466761837
Energy: 2.1156118881221047
Energy: 1.9663817466761837
Energy: 2.112897833823597
Energy: 1.9663817466761837
Energy: 2.107567669251492
Energy: 2.1201227719281155
Energy: 2.1126913544703663
Energy: 2.1201227719268023
Energy: 2.107567667689573
Energy: 2.1201227719268023
Energy: 2.099478445777031
Energy: 2.05027710013247
Energy: 2.1150299962075625
Energy: 2.05027710013247
Energy: 2.099478445777031
Energy: 2.05027710013247
Energy: 2.193726793737261
Energy: 1.9675535600113367
Energy: 2.220748903056732
Energy: 1.9675535600113367
Energy: 2.1937267937385743
Energy: 1.9675535600100236
Energy: 2.0994115161136153
Energy: 2.021360986142611
Energy: 2.264699889186623
Energy: 2.021360986142611
Energy: 2.0994115161136153
Energy: 2.021360986142611
Energy: 2.1259758974035496
Energy: 1.9852338636008358
Energy: 2.1945932118414677
Energy: 1.9852338635995226
Energy: 2.12597589739961
Energy: 1.9852338636008358
Energy: 2.100721651268663
Energy: 2.0206859249969114
Energy: 2.1919732084679504
Energy: 2.0206859249982245
Energy: 2.100721651268663
Energy: 2.0206859249982245
Energy: 2.0953435923397374
Energy: 2.0208745138255066
Energy: 2.2244794492489754
Energy: 2.02087451382682
Energy: 2.09534359234105
Energy: 2.0208745138255066
Energy: 2.111316993979236
Energy: 2.0023440169100097
Energy: 2.2171045498906206
Energy: 2.002344016911323
Energy: 2.111316993980549
Energy: 2.0023440169100097
Energy: 2.1031675543149833
Energy: 2.049559367940661
Energy: 2.260416754135346
Energy: 2.049559367939348
Energy: 2.103167554312387
Energy: 2.049559367940661
Energy: 2.209778851267963
Energy: 1.966621985390477
Energy: 2.2198956474530536
Energy: 1.966621985389164
Energy: 2.2097788121813724
Energy: 1.966621985390477

minimum gb energy = 1.96613510449711 eV
minimum distance =  2.40724117501438 Angstroms
sigma value = 19


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

Energy: 2.2721667687909677
Energy: 2.1315507328022396
Energy: 2.2746761561419984
Energy: 2.1315507328030185
Energy: 2.2721667687909677
Energy: 2.1315507328030185
Energy: 2.207729587621925
Energy: 2.2095919167114486
Energy: 2.2606789185420024
Energy: 2.2095919167114486
Energy: 2.207729587621925
Energy: 2.2095919167122275
Energy: 2.0985810071867106
Energy: 2.0913388457984152
Energy: 2.121345691344444
Energy: 2.0913388457984152
Energy: 2.0985810071867106
Energy: 2.0913388457984152
Energy: 2.1520602313665522
Energy: 2.071092414223231
Energy: 2.395569167059744
Energy: 2.0710924142224516
Energy: 2.1520602313665522
Energy: 2.071092414223231
Energy: 2.152141055476941
Energy: 2.1148241107918033
Energy: 2.299103371208412
Energy: 2.1148241107918033
Energy: 2.152141055476941
Energy: 2.114824110791025
Energy: 2.3158035464078264
Energy: 2.1147105215401942
Energy: 2.1521683897503783
Energy: 2.1147105215386364
Energy: 2.3158035464093842
Energy: 2.1147105215386364
Energy: 2.3995066218502608
Energy: 2.0710777896322417
Energy: 2.1553917962239497
Energy: 2.0710777896322417
Energy: 2.3995066218386123
Energy: 2.0710777896322417
Energy: 2.139497845140131
Energy: 2.0917050737493685
Energy: 2.0985688440869357
Energy: 2.0917050737501475
Energy: 2.139497845140131
Energy: 2.0917050737501475
Energy: 2.2577666271465473
Energy: 2.2096817153573434
Energy: 2.262752595608212
Energy: 2.2096817153581223
Energy: 2.2577666271465473
Energy: 2.2096817153581223
Energy: 2.2944459160067896
Energy: 2.1315507328030185
Energy: 2.2721667687909677
Energy: 2.1315507328030185
Energy: 2.2944459159935477
Energy: 2.1315507328030185
Energy: 2.2606789187756067
Energy: 2.2095919167114486
Energy: 2.1328344404072834
Energy: 2.2095919167122275
Energy: 2.2606789185895164
Energy: 2.2095919167122275
Energy: 2.121345691344444
Energy: 2.0913388457984152
Energy: 2.0985810071867106
Energy: 2.0913388457984152
Energy: 2.121345691345223
Energy: 2.0913388457984152
Energy: 2.395569167059744
Energy: 2.0710924142224516
Energy: 2.1520602313665522
Energy: 2.0710924142224516
Energy: 2.395569167058186
Energy: 2.0710924142224516
Energy: 2.299103371196728
Energy: 2.1148241107918033
Energy: 2.152141055476941
Energy: 2.114824110791025
Energy: 2.299103371247323
Energy: 2.1148241107902455
Energy: 2.1521683897503783
Energy: 2.1147105215401942
Energy: 2.2669568479516577
Energy: 2.1147105215401942
Energy: 2.1521683897503783
Energy: 2.1147105215401942
Energy: 2.1553917962231712
Energy: 2.0710777896330206
Energy: 2.3995066218432504
Energy: 2.0710777896322417
Energy: 2.1553917962231712
Energy: 2.0710777896330206
Energy: 2.0985688440869357
Energy: 2.0917050737493685
Energy: 2.139497845139352
Energy: 2.0917050737501475
Energy: 2.0985688440869357
Energy: 2.0917050737501475
Energy: 2.262752595608212
Energy: 2.2096817153581223
Energy: 2.2577666271465473
Energy: 2.2096817153581223
Energy: 2.262752595608212
Energy: 2.2096817153573434
Energy: 2.2721667687909677
Energy: 2.1315507328030185
Energy: 2.3898273030205863
Energy: 2.1315507328030185
Energy: 2.2721667687901883
Energy: 2.1315507328037975
Energy: 2.132834440406505
Energy: 2.2095919167122275
Energy: 2.2606789184898504
Energy: 2.2095919167114486
Energy: 2.132834440406505
Energy: 2.2095919167114486
Energy: 2.0985810071867106
Energy: 2.0913388457984152
Energy: 2.121345691345223
Energy: 2.0913388457984152
Energy: 2.0985810071867106
Energy: 2.0913388457984152
Energy: 2.1520602313673316
Energy: 2.071092414223231
Energy: 2.395569167060523
Energy: 2.0710924142224516
Energy: 2.1520602313665522
Energy: 2.0710924142224516
Energy: 2.152141055476941
Energy: 2.1148241107918033
Energy: 2.2991033712068543
Energy: 2.1148241107918033
Energy: 2.152141055476941
Energy: 2.1148241107918033
Energy: 2.190319612501442
Energy: 2.1147105215401942
Energy: 2.1521683897503783
Energy: 2.1147105215401942
Energy: 2.190319612499105
Energy: 2.1147105215401942
Energy: 2.3995066218533765
Energy: 2.0710777896322417
Energy: 2.142433393429858
Energy: 2.0710777896322417
Energy: 2.3995066218557133
Energy: 2.0710777896330206
Energy: 2.139497845140131
Energy: 2.0917050737501475
Energy: 2.0985688440869357
Energy: 2.0917050737493685
Energy: 2.139497845140131
Energy: 2.0917050737493685
Energy: 2.2577666271488837
Energy: 2.2096817153581223
Energy: 2.262752595608212
Energy: 2.2096817153573434
Energy: 2.2577666271488837
Energy: 2.2096817153573434
Energy: 2.3898273030439534
Energy: 2.1315507328030185
Energy: 2.2721667687909677
Energy: 2.1315507328030185
Energy: 2.38982730304629
Energy: 2.1315507328030185
Energy: 2.2606789186082104
Energy: 2.2095919167122275
Energy: 2.1328344404072834
Energy: 2.2095919167122275
Energy: 2.2606789182967857
Energy: 2.2095919167122275
Energy: 2.121345691344444
Energy: 2.0913388457984152
Energy: 2.0985810071867106
Energy: 2.0913388457984152
Energy: 2.121345691345223
Energy: 2.0913388457984152

minimum gb energy = 2.0710777896322417 eV
minimum distance =  2.41011164892329 Angstroms
sigma value = 27


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

Energy: 1.9580646723224793
Energy: 1.9541227767443148
Energy: 2.526613248677134
Energy: 1.9541227767443148
Energy: 1.9580646723224793
Energy: 1.9541227767443148
Energy: 1.9175994811927701
Energy: 2.021366437706864
Energy: 2.0050240781364983
Energy: 2.021366437706864
Energy: 1.9175994811927701
Energy: 2.021366437706864
Energy: 1.970038689111066
Energy: 2.2057384966806457
Energy: 2.1379546008025887
Energy: 2.2057384966806457
Energy: 1.970038689111066
Energy: 2.2057384966806457
Energy: 2.2214251497221604
Energy: 1.958062810596523
Energy: 2.262420441051793
Energy: 1.958062810598431
Energy: 2.2214251475614115
Energy: 1.958062810596523
Energy: 2.0031935120880937
Energy: 1.9543316635040795
Energy: 2.4097096780396807
Energy: 1.9543316635040795
Energy: 2.0031935120880937
Energy: 1.9543316635040795
Energy: 1.9797162826067298
Energy: 2.2048648959694415
Energy: 2.0064626799076524
Energy: 2.2048648959694415
Energy: 1.9797162826067298
Energy: 2.2048648959694415
Energy: 2.002362824418295
Energy: 2.008810456856105
Energy: 1.9703052553876639
Energy: 2.0088104568580127
Energy: 2.002362824418295
Energy: 2.008810456856105
Energy: 1.9582107637142123
Energy: 1.958600402991059
Energy: 2.196443263122919
Energy: 1.958600402991059
Energy: 1.9582107637142123
Energy: 1.958600402991059
Energy: 1.9699223979596872
Energy: 1.9560640067634398
Energy: 2.2112932736189803
Energy: 1.9560640067634398
Energy: 1.9699223979596872
Energy: 1.9560640067634398
Energy: 1.9702293675960552
Energy: 2.204022361349127
Energy: 1.9700049744864414
Energy: 2.204022361349127
Energy: 1.9702293675960552
Energy: 2.204022361349127
Energy: 2.3906763415215013
Energy: 1.9561167045516783
Energy: 1.9695121376963738
Energy: 1.9561167045516783
Energy: 2.3906763415215013
Energy: 1.9561167045535863
Energy: 2.2347915181809865
Energy: 1.958637056686552
Energy: 1.9582566031251571
Energy: 1.958637056686552
Energy: 2.2347915181828943
Energy: 1.958637056686552

minimum gb energy = 1.9175994811927701 eV
minimum distance =  2.44175250683902 Angstroms
sigma value = 9


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

Energy: 2.32208477620811
Energy: 2.2601901071726505
Energy: 2.368012168396355
Energy: 2.2601901071726505
Energy: 2.3220847762075736
Energy: 2.2601901071726505
Energy: 2.151903888232959
Energy: 2.211728142447266
Energy: 2.0390392259991534
Energy: 2.183144265044686
Energy: 2.151903888233495
Energy: 2.211728142447266
Energy: 1.996560732122792
Energy: 2.197798351766182
Energy: 2.019635714686952
Energy: 2.1977983517672546
Energy: 1.996560732122792
Energy: 2.197798351766718
Energy: 2.015461136766102
Energy: 2.1412071902491117
Energy: 2.2084881353089734
Energy: 2.1412071902501832
Energy: 2.015461136766102
Energy: 2.1412071902496477
Energy: 2.0120276854147745
Energy: 2.141018948619783
Energy: 2.157516520475152
Energy: 2.141018948619247
Energy: 2.0120276854153105
Energy: 2.141018948619247
Energy: 1.9781358684040564
Energy: 2.122579112742355
Energy: 2.033197776729433
Energy: 2.098851434247226
Energy: 1.9781358684040564
Energy: 2.122579112743427
Energy: 2.288148126995549
Energy: 2.165515685798754
Energy: 2.1260805110267698
Energy: 2.165515685798218
Energy: 2.288148126995013
Energy: 2.165515685798754
Energy: 2.1105664073774264
Energy: 2.14202055914761
Energy: 2.0552633031757677
Energy: 2.142020559146538
Energy: 2.1105664073763544
Energy: 2.1420205591470736
Energy: 2.147751678065276
Energy: 2.2826471464723173
Energy: 2.1513312677914067
Energy: 2.2826471464728533
Energy: 2.1477516779774066
Energy: 2.2826471464728533
Energy: 2.122519184963462
Energy: 2.2202920046058763
Energy: 2.0130825499630727
Energy: 2.220292004606412
Energy: 2.122519184963462
Energy: 2.220292004606412
Energy: 2.1748354797911302
Energy: 2.1525384428736545
Energy: 2.043795465414124
Energy: 2.1525384428736545
Energy: 2.17483547978845
Energy: 2.1525384428731185
Energy: 2.012876891132452
Energy: 2.144796674629479
Energy: 2.007803892899611
Energy: 2.1447966746310874
Energy: 2.012876891131916
Energy: 2.144796674630015
Energy: 1.980944142646822
Energy: 2.0995413415282385
Energy: 2.0351089753455196
Energy: 2.0995413415293105
Energy: 1.980944142646286
Energy: 2.0995413415293105
Energy: 2.290971916461562
Energy: 2.2369935023722567
Energy: 2.3467254532112953
Energy: 2.2369935023727927
Energy: 2.290971916461026
Energy: 2.2369935023722567
Energy: 2.0200637012568743
Energy: 2.2083178387963165
Energy: 2.0638449033813893
Energy: 2.2083178387963165
Energy: 2.0200637012563374
Energy: 2.2083178387963165
Energy: 2.1789915675791067
Energy: 2.1285989900685682
Energy: 2.010957927415441
Energy: 2.128598990069104
Energy: 2.1789915675796427
Energy: 2.128598990069104
Energy: 2.1317481361355792
Energy: 2.2030404888337163
Energy: 2.013138254864176
Energy: 2.2030404888337163
Energy: 2.1317481361355792
Energy: 2.2030404888342523
Energy: 2.014412030016713
Energy: 2.103831710878574
Energy: 2.0122107594162664
Energy: 2.1038317108791103
Energy: 2.014412030016177
Energy: 2.103831710878574
Energy: 2.118658114535706
Energy: 2.2350656045170703
Energy: 1.975912644488169
Energy: 2.2350656045176067
Energy: 2.118658114535706
Energy: 2.2350656045170703
Energy: 2.0239860805807957
Energy: 2.2069243715913993
Energy: 2.024724868324225
Energy: 2.2069243715930074
Energy: 2.023986080582404
Energy: 2.277067086608972
Energy: 1.9751660180978432
Energy: 2.235797297932496
Energy: 2.1236687438528845
Energy: 2.235797297933032
Energy: 1.9751660180967705
Energy: 2.235797297932496
Energy: 2.0333897870962967
Energy: 2.104416133054783
Energy: 2.01479368032662
Energy: 2.104416133053711
Energy: 2.0333897870957607
Energy: 2.1044161330553193
Energy: 2.013786533053023
Energy: 2.2030145955457923
Energy: 2.1316812322255063
Energy: 2.2030145955457923
Energy: 2.013786533053559
Energy: 2.203014595545256
Energy: 2.01063489834675
Energy: 2.1283386141555556
Energy: 2.179066657762589
Energy: 2.1283386141539475
Energy: 2.010634898344606
Energy: 2.1283386141544836
Energy: 2.0534504883963507
Energy: 2.2086262695902548
Energy: 2.0233224402671555
Energy: 2.2086262695902548
Energy: 2.0534504883861655
Energy: 2.2086262695907903
Energy: 2.344780208747439
Energy: 2.2372030469882076
Energy: 2.290721422604458
Energy: 2.237203046987136
Energy: 2.3447802087469034
Energy: 2.237203046987672
Energy: 2.034921147092904
Energy: 2.0997338710253852
Energy: 1.9814873125251717
Energy: 2.0997338710243136
Energy: 2.0349211470923683
Energy: 2.0997338710253852
Energy: 1.9987718616871648
Energy: 2.1447304280513677
Energy: 2.013316672114282
Energy: 2.1447304280508313
Energy: 1.998771861761632
Energy: 2.1447304280508313
Energy: 2.0502555462372567
Energy: 2.1422512374701017
Energy: 2.243601483556761
Energy: 2.1422512374695653
Energy: 2.0502555463251264
Energy: 2.142251237468493
Energy: 2.012487032214937
Energy: 2.220529013482991
Energy: 2.122459658345377
Energy: 2.220529013482991
Energy: 2.012487032213865
Energy: 2.220529013482991
Energy: 2.141219207479151
Energy: 2.2826471464723173
Energy: 2.1603658860655544
Energy: 2.2826471464723173
Energy: 2.141219207478079
Energy: 2.2826471464728533
Energy: 2.0566110269096005
Energy: 2.1418122266406447
Energy: 2.1103077321874877
Energy: 2.1418122266417168
Energy: 2.056611051076874
Energy: 2.1418122266417168
Energy: 2.1440692154360224
Energy: 2.165465912849866
Energy: 2.288182972627004
Energy: 2.1654659128509386
Energy: 2.1440692154354863
Energy: 2.1654659128504026
Energy: 2.0353652761573167
Energy: 2.150723328135987
Energy: 1.9781410622397555
Energy: 2.1507233281365226
Energy: 2.0353652761932346
Energy: 2.0992153583361444
Energy: 2.2164336406350924
Energy: 2.1409573340690335
Energy: 2.01202117157378
Energy: 2.1409573340684975
Energy: 2.216433640632412
Energy: 2.1409573340690335
Energy: 2.2054784212628618
Energy: 2.1414344998702153
Energy: 2.015379436142075
Energy: 2.1414344998702153
Energy: 2.205478421263934
Energy: 2.1414344998702153
Energy: 2.0133435465153515
Energy: 2.197734636258981
Energy: 1.9971910792839096
Energy: 2.1977346362584456
Energy: 2.013343546537867
Energy: 2.1977346362584456
Energy: 2.0374552066965808
Energy: 2.1418292515015076
Energy: 2.151678302031862
Energy: 2.1418292515015076
Energy: 2.0374552066885396
Energy: 2.1639454468278005
Energy: 2.235615015860483
Energy: 2.2601901071737225
Energy: 2.322084776207038
Energy: 2.2601901071726505
Energy: 2.235615015860483
Energy: 2.2601901071726505
Energy: 2.0390392259911123
Energy: 2.1531893289016057
Energy: 2.151903888232959
Energy: 2.1831442650425417
Energy: 2.0390392260098755
Energy: 2.1531893289016057
Energy: 2.01963571462267
Energy: 2.197798351766718
Energy: 1.996560732122792
Energy: 2.197798351766718
Energy: 2.019635714707859
Energy: 2.197798351766718
Energy: 2.2084881353089734
Energy: 2.1412071902496477
Energy: 2.015461136766102
Energy: 2.1412071902491117
Energy: 2.2084881353084374
Energy: 2.1412071902491117
Energy: 2.1132644876586713
Energy: 2.141018948619783
Energy: 2.0120276854153105
Energy: 2.141018948619783
Energy: 2.1132644876581352
Energy: 2.141018948619783

minimum gb energy = 1.9751660180967705 eV
minimum distance =  2.4213706972947 Angstroms
sigma value = 57


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

Energy: 1.9910147034177976
Energy: 2.0926982181450193
Energy: 2.1312581204677015
Energy: 2.0926982181450193
Energy: 1.9910147034177976
Energy: 2.0926982181462397
Energy: 2.405160920950476
Energy: 2.140517938127551
Energy: 1.7524920291904156
Energy: 2.140517938127551
Energy: 2.405160920949255
Energy: 2.140517938127551
Energy: 1.7122780292439412
Energy: 2.024976512187771
Energy: 1.7522627547534932
Energy: 2.024976512186551
Energy: 1.7122780292439412
Energy: 2.024976512186551
Energy: 1.7520558668834407
Energy: 2.0639905174202164
Energy: 1.8227396404927714
Energy: 2.0639905174189956
Energy: 1.7520558668822206
Energy: 2.0639905174202164
Energy: 1.7513663137190418
Energy: 2.0898833084692474
Energy: 1.7505863915070712
Energy: 2.0898833084704678
Energy: 1.7513663137190418
Energy: 2.0898833084692474
Energy: 2.4695668824567916
Energy: 2.0307598643210722
Energy: 1.9055057993801046
Energy: 2.0307598643210722
Energy: 2.4695668824567916
Energy: 2.0307598643210722
Energy: 2.469110293184363
Energy: 2.0262009064505015
Energy: 1.9052953197194071
Energy: 2.0262009064505015
Energy: 2.469110293184363
Energy: 2.0262009064505015
Energy: 1.7511177810937417
Energy: 2.0896844591189567
Energy: 1.7707721659788116
Energy: 2.0896844591189567
Energy: 1.7511177810937417
Energy: 2.0896844591189567
Energy: 1.751910650779975
Energy: 2.0638852257130065
Energy: 1.7512164357004443
Energy: 2.0638852257130065
Energy: 1.751910650779975
Energy: 2.0638852257130065
Energy: 1.7123863577005325
Energy: 2.025040925281692
Energy: 1.7553748693572588
Energy: 2.0250409252804724
Energy: 1.7123863577005325
Energy: 2.025040925281692
Energy: 2.405730811388462
Energy: 2.140517938127551
Energy: 1.824983905638879
Energy: 2.140517938127551
Energy: 2.405730811388462
Energy: 2.140517938127551
Energy: 1.991014703419018
Energy: 2.0926982181450193
Energy: 2.2220108173371678
Energy: 2.0926982181450193
Energy: 1.991014703419018
Energy: 2.0926982181450193
Energy: 2.405160920950476
Energy: 2.140517938127551
Energy: 1.7524920291904156
Energy: 2.1405179381287716
Energy: 2.405160920950476
Energy: 2.140517938127551
Energy: 1.7122780292439412
Energy: 2.024976512186551
Energy: 1.7522627547595946
Energy: 2.024976512187771
Energy: 1.7122780292439412
Energy: 2.024976512187771
Energy: 1.7520558668822206
Energy: 2.0639905174202164
Energy: 1.7703256599660881
Energy: 2.0639905174202164
Energy: 1.7520558668834407
Energy: 2.0639905174214364
Energy: 1.7513663137190418
Energy: 2.0898833084704678
Energy: 1.7505863916815225
Energy: 2.0898833084692474
Energy: 1.7513663137190418
Energy: 2.0898833084692474
Energy: 2.4695668824567916
Energy: 2.0307598643210722
Energy: 1.9055057993788846
Energy: 2.0307598643210722
Energy: 2.4695668824567916
Energy: 2.0307598643210722
Energy: 2.4691102931831432
Energy: 2.0262009064505015
Energy: 1.9052953197242883
Energy: 2.0262009064505015
Energy: 2.469110293184363
Energy: 2.0262009064505015
Energy: 1.7511177810937417
Energy: 2.0896844591189567
Energy: 1.7707721659788116
Energy: 2.0896844591189567
Energy: 1.7511177810937417
Energy: 2.0896844591189567

minimum gb energy = 1.7122780292439412 eV
minimum distance =  2.41363362086201 Angstroms
sigma value = 11


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

Energy: 1.7937599008177667
Energy: 2.027627000475224
Energy: 1.8032390681481274
Energy: 2.027627000476118
Energy: 1.7937599008168728
Energy: 2.027627000476118
Energy: 2.4718465610345257
Energy: 1.9423635543814481
Energy: 1.5862578729963435
Energy: 1.9423635291092949
Energy: 2.4718465610345257
Energy: 1.9423636518364666
Energy: 1.764680988024044
Energy: 1.8984217451633856
Energy: 1.8013594853575827
Energy: 1.8984217451624918
Energy: 1.7646809880231502
Energy: 1.8984217451642793
Energy: 1.8460527692361106
Energy: 1.8921464942147348
Energy: 1.586730672854225
Energy: 1.8921464942165227
Energy: 1.8460527692370048
Energy: 1.8921464942165227
Energy: 1.5857529163017978
Energy: 2.02505120542999
Energy: 1.6118429584029974
Energy: 2.02505120542999
Energy: 1.5857529163017978
Energy: 2.02505120542999
Energy: 1.6124083609081035
Energy: 1.9922704668635032
Energy: 1.5866748043943586
Energy: 1.9922704668626094
Energy: 1.6124083609081035
Energy: 1.9922704668635032
Energy: 1.610113396047002
Energy: 2.03795927874952
Energy: 1.587709741813634
Energy: 2.037959278750414
Energy: 1.610113396047002
Energy: 2.03795927874952
Energy: 2.1398525511241604
Energy: 2.0693145659768617
Energy: 1.6295269804546573
Energy: 2.0693145659768617
Energy: 2.1398525511241604
Energy: 2.0693145659777556
Energy: 2.1410659686699365
Energy: 2.073621794258018
Energy: 2.126725016036252
Energy: 2.073621794258018
Energy: 2.141065968670831
Energy: 2.073621794258018
Energy: 1.6126029685950183
Energy: 1.9139985796410897
Energy: 1.5865203579832892
Energy: 1.9139985796482408
Energy: 1.6126029685950183
Energy: 1.9139985796419834
Energy: 1.6111711511895548
Energy: 1.9899420670401757
Energy: 1.5868275479619793
Energy: 1.9899420670410697
Energy: 1.6111711511895548
Energy: 1.9899420670410697
Energy: 1.5876166115296615
Energy: 2.071620817823964
Energy: 1.5876242390655766
Energy: 2.071620817823964
Energy: 1.5876166115287675
Energy: 2.071620817823964
Energy: 2.139735124636322
Energy: 1.8913777386206672
Energy: 1.6997832753704836
Energy: 1.891377738622455
Energy: 2.139735124635428
Energy: 1.8913777386206672
Energy: 1.7674359060854445
Energy: 1.923668489775824
Energy: 1.611383558218951
Energy: 1.923668489775824
Energy: 1.7674359060854445
Energy: 1.9236684897776122
Energy: 2.470934615186345
Energy: 1.9411132935579551
Energy: 1.5860362396643874
Energy: 1.941113293557061
Energy: 2.4709346151854508
Energy: 1.9411132935552733
Energy: 1.7970454125250312
Energy: 2.028797532765954
Energy: 1.878755387791594
Energy: 2.028797532765954
Energy: 1.7970454125232436
Energy: 2.028797532765954
Energy: 2.50248224321212
Energy: 1.9441620037934653
Energy: 1.6103997573768838
Energy: 1.9441620037988283
Energy: 2.502482243209438
Energy: 1.9441620037970408
Energy: 1.767252098563629
Energy: 1.899200069083831
Energy: 1.6663041449344944
Energy: 1.899200069054332
Energy: 1.767252098563629
Energy: 1.8992000689498254
Energy: 1.8515812003395027
Energy: 1.9153951402457143
Energy: 1.5866326054521256
Energy: 1.915395140246608
Energy: 1.8515812003395027
Energy: 1.9153951402448204
Energy: 1.5874454863003349
Energy: 2.0284995266815917
Energy: 1.6127374473060088
Energy: 2.0284995266806978
Energy: 1.5874454863003349
Energy: 2.0284995266806978
Energy: 2.2444208275628155
Energy: 2.004661213373671
Energy: 1.7666776467311698
Energy: 2.004661213373671
Energy: 2.2444208275637094
Energy: 2.004661213373671
Energy: 1.6124866111150071
Energy: 2.031199720663464
Energy: 1.5919714613686813
Energy: 2.031199720664358
Energy: 1.6124866111150071
Energy: 2.031199720663464
Energy: 2.1426468959548712
Energy: 2.0388054663743045
Energy: 1.8139010265331308
Energy: 2.038805466376092
Energy: 2.1426468959539777
Energy: 2.038805466375198
Energy: 1.5883500168353852
Energy: 2.0870758824608395
Energy: 2.0877923232527404
Energy: 2.0870758824608395
Energy: 1.5883500168362792
Energy: 2.0870758824617335
Energy: 1.619611427549113
Energy: 1.9104590348689172
Energy: 1.7666626551110063
Energy: 1.9104590348680233
Energy: 1.619611427549113
Energy: 1.9104590348778563
Energy: 1.6128138224271233
Energy: 1.9915039062706936
Energy: 1.5873301397155661
Energy: 1.9915039062697997
Energy: 1.6128138224271233
Energy: 1.9915039062697997

minimum gb energy = 1.5857529163017978 eV
minimum distance =  2.45923405867895 Angstroms
sigma value = 41


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

Energy: 2.2433853789556473
Energy: 1.9470334173907473
Energy: 1.5585385023328768
Energy: 1.9470334174175208
Energy: 2.243385378954238
Energy: 1.9470334173794746
Energy: 2.4684879142483283
Energy: 1.7974478243728322
Energy: 1.4616324527782099
Energy: 1.7974478243707186
Energy: 2.4684879142483283
Energy: 1.7974478243707186
Energy: 1.6090438038751158
Energy: 1.865472855836549
Energy: 1.4933765811416877
Energy: 1.865472855836549
Energy: 1.6090438038751158
Energy: 1.865472855836549
Energy: 2.1909994034571767
Energy: 1.7483630397228933
Energy: 1.4608398967893823
Energy: 1.7483630397235976
Energy: 2.1909994034578815
Energy: 1.7483630397235976
Energy: 1.591354761798813
Energy: 1.74117755980736
Energy: 1.5219085712483897
Energy: 1.7411775598115875
Energy: 1.5913547617995176
Energy: 1.7411775598094739
Energy: 1.9168504080642026
Energy: 1.8820478840103265
Energy: 1.4614665836680272
Energy: 1.8820478840103265
Energy: 1.9168504080642026
Energy: 1.8820478840096218
Energy: 1.4597395830843467
Energy: 1.9091875449248314
Energy: 1.4600673232145196
Energy: 1.9091875449248314
Energy: 1.4597395830843467
Energy: 1.9091875449248314
Energy: 2.0314814743527587
Energy: 1.9361362032318237
Energy: 1.4917292960868072
Energy: 1.936136203232528
Energy: 2.0314814743527587
Energy: 1.936136203232528
Energy: 1.4929381601211993
Energy: 1.8427534298084935
Energy: 1.8700378520329775
Energy: 1.8427534298099026
Energy: 1.4929381601211993
Energy: 1.8427534298070845
Energy: 1.9265524860243513
Energy: 1.9331369859956862
Energy: 1.8801994011566783
Energy: 1.9331369859956862
Energy: 1.9265524860243513
Energy: 1.933136985994982
Energy: 1.9219178777242776
Energy: 1.9062102454816823
Energy: 1.8836751659878344
Energy: 1.906210245480978
Energy: 1.9219178777242776
Energy: 1.906210245480978
Energy: 1.4980572151469842
Energy: 1.8980786539702006
Energy: 1.4917556610530847
Energy: 1.9799199766745865
Energy: 1.4980572151469842
Energy: 1.8980786539694958
Energy: 1.493389384138866
Energy: 1.894740447931674
Energy: 1.7774002779245512
Energy: 1.8947404479309693
Energy: 1.493389384138866
Energy: 1.894740447931674
Energy: 1.4643996135692063
Energy: 1.863551781743455
Energy: 1.461484126146567
Energy: 1.8635517817441594
Energy: 1.4643996135699109
Energy: 1.863551781743455
Energy: 1.9213364363565586
Energy: 1.840278051753689
Energy: 1.4615767799017703
Energy: 1.840278051753689
Energy: 1.9213364363565586
Energy: 1.8402780517543933
Energy: 1.5962170411560628
Energy: 1.94232105582627
Energy: 1.4611064261423572
Energy: 1.9798188872420894
Energy: 1.5962170411560628
Energy: 1.8639179263642998
Energy: 1.8700578684182254
Energy: 1.87646425493815
Energy: 1.4932086365989707
Energy: 1.8764642549388546
Energy: 1.8700578684182254
Energy: 1.87646425493815
Energy: 1.6137114003667432
Energy: 1.8982732730123457
Energy: 1.4945790587802548
Energy: 1.8982732730130505
Energy: 1.6137114003674478
Energy: 1.8982732730123457
Energy: 2.46736596581518
Energy: 1.7942413756620639
Energy: 1.4610976692301991
Energy: 1.7942413756634408
Energy: 2.4673659658172937
Energy: 1.794241375658541
Energy: 1.8794924218208497
Energy: 1.947986516018858
Energy: 1.7156379620210558
Energy: 1.9767249801924494
Energy: 1.8794925857615918
Energy: 1.8641607385824852
Energy: 2.450228641183397
Energy: 1.7958270961979859
Energy: 1.4925882616659214
Energy: 1.7958270962000997
Energy: 2.450228641183397
Energy: 1.7958270961986904
Energy: 1.6136607289712483
Energy: 1.8624894792607527
Energy: 1.5783121044776873
Energy: 1.8624894792600486
Energy: 1.6136607289712483
Energy: 1.8624894792607527
Energy: 2.2339606407332475
Energy: 1.737899875017414
Energy: 1.4604750151672254
Energy: 1.7378998750167096
Energy: 2.233960640733952
Energy: 1.7378998750167096
Energy: 1.5962859091423556
Energy: 1.8243438211350518
Energy: 1.496484400532648
Energy: 1.793778644097655
Energy: 1.5962859091423556
Energy: 1.8383570193236112
Energy: 1.7075182115839185
Energy: 1.8798956310329398
Energy: 1.5940089397126236
Energy: 1.8798956310329398
Energy: 1.7075182115839185
Energy: 1.879895631032235
Energy: 1.4646146517503746
Energy: 1.794937163663363
Energy: 1.666448122497868
Energy: 1.773986134237126
Energy: 1.4646146517503746
Energy: 1.7949371636626583
Energy: 2.030305672848894
Energy: 1.9001891321177333
Energy: 1.6117635545055715
Energy: 1.9001891321177333
Energy: 2.0303056728503037
Energy: 1.900189132117029
Energy: 1.4982722598825722
Energy: 1.8417601092112954
Energy: 1.866174505995887
Energy: 1.8307460777097415
Energy: 1.4982722598825722
Energy: 1.8417601092119997
Energy: 1.9245027800577215
Energy: 1.9338846467605901
Energy: 1.8807254406337022
Energy: 1.9338846467605901
Energy: 1.9245027800577215
Energy: 1.9338846467605901
Energy: 1.46288575228293
Energy: 1.8821269154054534
Energy: 1.8785386140036813
Energy: 1.8486088107649032
Energy: 1.46288575228293
Energy: 1.897048542834274
Energy: 1.4933533764310754
Energy: 1.9002036129691469
Energy: 1.6109267966363516
Energy: 1.9002036129705557
Energy: 1.4933533764310754
Energy: 1.9002036129698514
Energy: 1.4989698576841965
Energy: 1.893781422313347
Energy: 1.8724855514903873
Energy: 1.893781422313347
Energy: 1.4989698576841965
Energy: 1.893781422313347
Energy: 1.4612238290752446
Energy: 1.863862552973596
Energy: 1.593218587880038
Energy: 1.8638625529728914
Energy: 1.4612238290752446
Energy: 1.8638625529728914

minimum gb energy = 1.4597395830843467 eV
minimum distance =  2.43379723046399 Angstroms
sigma value = 33


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

Energy: 1.8858817086444994
Energy: 1.7475822055031596
Energy: 1.5973181666515683
Energy: 1.7475822055031596
Energy: 1.8858817086444994
Energy: 1.7475822055031596
Energy: 2.6548954026447036
Energy: 1.598877388401416
Energy: 1.3053154774436848
Energy: 1.5988773884004273
Energy: 2.6548954026442093
Energy: 1.5988773883984495
Energy: 1.8519449420232665
Energy: 1.723631900803819
Energy: 1.57485594394298
Energy: 1.7236319008043135
Energy: 1.8519449420222778
Energy: 1.7236319008043135
Energy: 2.214731499186657
Energy: 1.476295402641201
Energy: 1.3049187737021493
Energy: 1.4762954027637383
Energy: 2.214731499186657
Energy: 1.4762954026446622
Energy: 1.4179900711777071
Energy: 1.6962003660136082
Energy: 1.3287519422460876
Energy: 1.6962003660141027
Energy: 1.4179900711767182
Energy: 1.6962003660136082
Energy: 2.0061657933061965
Energy: 1.6509770250856295
Energy: 1.3050380700949906
Energy: 1.6509770250856295
Energy: 2.0061657933061965
Energy: 1.6509770250846405
Energy: 1.3939935971033566
Energy: 1.6293463228129417
Energy: 1.310945674935285
Energy: 1.6293463228129417
Energy: 1.3939935971023676
Energy: 1.6293463228134362
Energy: 1.8125612806776417
Energy: 1.6559942830711956
Energy: 1.3119234382589242
Energy: 1.6559942830711956
Energy: 1.8125612806835751
Energy: 1.6559942830716903
Energy: 1.3100906496144415
Energy: 1.6986210192282845
Energy: 1.5297463937432128
Energy: 1.69862101922779
Energy: 1.3100906496144415
Energy: 1.6986210192282845
Energy: 1.6243578283576396
Energy: 1.717948323314984
Energy: 1.6120396452346313
Energy: 1.7179483233144894
Energy: 1.624357828355662
Energy: 1.717948323313995
Energy: 1.3046336686780033
Energy: 1.65738677917873
Energy: 1.6176229805702853
Energy: 1.6573867791910915
Energy: 1.3046336686780033
Energy: 1.6573867791525234
Energy: 2.057938156890805
Energy: 1.7460836468123455
Energy: 1.6225057322226795
Energy: 1.7460836468123455
Energy: 2.05793815689031
Energy: 1.74608364681284
Energy: 1.5986215966735902
Energy: 1.6986265913616945
Energy: 1.9914567327709125
Energy: 1.6986265913616945
Energy: 1.5986215966730957
Energy: 1.6986265913612
Energy: 1.6339263466025884
Energy: 1.7256039220588297
Energy: 2.001283135263059
Energy: 1.725603922059324
Energy: 1.633926346601105
Energy: 1.725603922059324
Energy: 1.619920342547173
Energy: 1.6582060108936543
Energy: 2.0109608378511057
Energy: 1.6582060108689762
Energy: 1.6199203425466784
Energy: 1.6582060109055214
Energy: 1.6065670032496349
Energy: 1.7259155331167222
Energy: 1.6211755393381047
Energy: 1.7259155331157334
Energy: 1.6065670032491404
Energy: 1.7259155331167222
Energy: 1.59860104596329
Energy: 1.700577260352922
Energy: 1.9920279622131116
Energy: 1.7005772603539109
Energy: 1.59860104596329
Energy: 1.7005772603534164
Energy: 1.3125732557486427
Energy: 1.724881187062541
Energy: 1.598645107591942
Energy: 1.7248811870620464
Energy: 1.3125732557486427
Energy: 1.7248811870630354
Energy: 1.620976447273334
Energy: 1.704528604471202
Energy: 1.600167614058197
Energy: 1.704528604471202
Energy: 1.620976447273334
Energy: 1.704528604471202
Energy: 1.3183016425014176
Energy: 1.7305977123749565
Energy: 1.3112839924116317
Energy: 1.7305977123729788
Energy: 1.3183016425019118
Energy: 1.7305977123739675
Energy: 1.598477097174344
Energy: 1.7019802269492814
Energy: 1.5974930449965505
Energy: 1.7019802269502704
Energy: 1.5984770971748385
Energy: 1.7019802269492814
Energy: 1.4023663489818983
Energy: 1.7244857100031066
Energy: 1.3051266758488969
Energy: 1.7244857100031066
Energy: 1.4023663489814038
Energy: 1.724485710002612
Energy: 2.0072068579783044
Energy: 1.7263079862414439
Energy: 1.3131577368099316
Energy: 1.7263079862414439
Energy: 2.00720685797781
Energy: 1.7263079862414439
Energy: 1.4261765770231827
Energy: 1.7295351169261814
Energy: 1.3049158978311584
Energy: 1.7295351169261814
Energy: 1.4261765770231827
Energy: 1.7295351169261814
Energy: 1.9941931905352739
Energy: 1.6874327685934634
Energy: 1.6086387199488645
Energy: 1.6874327685934634
Energy: 1.994193190534285
Energy: 1.6874327685939579
Energy: 1.845695883338981
Energy: 1.735072828425525
Energy: 1.3214091776195203
Energy: 1.735072828425525
Energy: 1.845695883338981
Energy: 1.735072828425525
Energy: 2.432557595632209
Energy: 1.6175499953114851
Energy: 1.3127978648994485
Energy: 1.617549995808197
Energy: 2.4325575956317147
Energy: 1.6175499957063821
Energy: 1.880818130538002
Energy: 1.731734798968359
Energy: 1.6204326245372587
Energy: 1.731734798968359
Energy: 1.8808181305375076
Energy: 1.7317347989678644
Energy: 2.2151781111528304
Energy: 1.6569691312257917
Energy: 1.6131872850787357
Energy: 1.6569691312252972
Energy: 2.2151781111538194
Energy: 1.6569691312267807
Energy: 1.8455425677108632
Energy: 1.7347379684658728
Energy: 1.6636919330114797
Energy: 1.7347379684653783
Energy: 1.8455425677108632
Energy: 1.7347379684653783
Energy: 2.0071506288042333
Energy: 1.5413783593330652
Energy: 1.3124429424465118
Energy: 1.5413783593281207
Energy: 2.0071506288052223
Energy: 1.5413783593310872
Energy: 1.4257238181964416
Energy: 1.7011060972669452
Energy: 1.4820504032125994
Energy: 1.7011060972664507
Energy: 1.4257238181964416
Energy: 1.7011060972669452
Energy: 1.8098901011029296
Energy: 1.6238469815602556
Energy: 1.3183474562606923
Energy: 1.6238469815602556
Energy: 1.809890101103424
Energy: 1.6238469815602556
Energy: 1.4038825335625187
Energy: 1.650075986255966
Energy: 1.8385809294620903
Energy: 1.650075986255966
Energy: 1.4038825335625187
Energy: 1.650075986255966
Energy: 1.8403013434024755
Energy: 1.6501589295581804
Energy: 1.402055614317012
Energy: 1.6501589295591694
Energy: 1.84030134340297
Energy: 1.650158929558675
Energy: 1.318540820257537
Energy: 1.6246876400192358
Energy: 1.8089176747950166
Energy: 1.6246876400187413
Energy: 1.3185408202580315
Energy: 1.6246876400187413
Energy: 1.4796127573642155
Energy: 1.7010956731243123
Energy: 1.4256207616256975
Energy: 1.7010956731248068
Energy: 1.4796127573652043
Energy: 1.7010956731248068
Energy: 1.3130522862193879
Energy: 1.5332270108729158
Energy: 2.0068450171361394
Energy: 1.5332270114052293
Energy: 1.3130522862188934
Energy: 1.533227011130397
Energy: 1.6636919330099962
Energy: 1.7350942078352687
Energy: 1.845581209016878
Energy: 1.7350942078352687
Energy: 1.6636919330080182
Energy: 1.7350942078352687
Energy: 1.4574896175942307
Energy: 1.6571900348098623
Energy: 2.2153697393265777
Energy: 1.657190034792556
Energy: 1.4574896175957142
Energy: 1.65719003480294
Energy: 1.6218510054196307
Energy: 1.731385533161203
Energy: 1.8797858537125258
Energy: 1.7313855331616972
Energy: 1.6218510054725384
Energy: 1.7313855331607084
Energy: 1.3136402552324635
Energy: 1.6204165724194188
Energy: 2.4331414551727026
Energy: 1.620416572488644
Energy: 1.313640255232958
Energy: 1.6204165723680395
Energy: 1.3211011440280116
Energy: 1.7349934405503828
Energy: 1.8454599079460843
Energy: 1.7349934405508773
Energy: 1.3211011440294949
Energy: 1.7349934405503828
Energy: 1.4587029936036924
Energy: 1.6872144026256533
Energy: 1.9941742696947349
Energy: 1.6872144026266422
Energy: 1.4587029936012201
Energy: 1.6872144026261477
Energy: 1.3049030746066688
Energy: 1.7296798286492303
Energy: 1.4254833773184874
Energy: 1.7296798286497248
Energy: 1.3049030746066688
Energy: 1.7296798286497248
Energy: 1.312809127622901
Energy: 1.7263079862449051
Energy: 2.007046065156903
Energy: 1.7263079862444106
Energy: 1.3128091276224068
Energy: 1.7263079862444106
Energy: 1.305894586479011
Energy: 1.7244221281943886
Energy: 1.4036397758361825
Energy: 1.724422128194883
Energy: 1.3058945864765388
Energy: 1.724422128194883

minimum gb energy = 1.3046336686780033 eV
minimum distance =  2.48773135958006 Angstroms
sigma value = 67


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

Energy: 0.3993922512718357
Energy: 0.40081257023163486
Energy: 2.661361436537647
Energy: 0.4008125702319728
Energy: 0.39939225127217365
Energy: 0.4008125702323108
Energy: 0.43398119338222835
Energy: 1.2199371623302069
Energy: 1.0403174826724324
Energy: 1.2199371623311834
Energy: 0.43398119338155244
Energy: 1.2199371623308828
Energy: 0.39939225127217365
Energy: 0.4008125702312969
Energy: 2.491509010382852
Energy: 0.4008125702319728
Energy: 0.3993922512724741
Energy: 0.4008125702319728
Energy: 0.4339811933825664
Energy: 1.2199371623302069
Energy: 1.0403174826724324
Energy: 1.2199371623308828
Energy: 0.4339811933818904
Energy: 1.2199371623308828
Energy: 0.3993922512718357
Energy: 0.4008125702312969
Energy: 2.4915090097833192
Energy: 0.4008125702323108
Energy: 0.3993922512718357
Energy: 0.4008125702323108
Energy: 0.43398119338290436
Energy: 1.2199371623305448
Energy: 1.0403174826724324
Energy: 1.2199371623308828
Energy: 0.43398119338290436
Energy: 1.2199371623308828
Energy: 0.3993922512724741
Energy: 0.4008125702312969
Energy: 2.491509010084569
Energy: 0.4008125702319728
Energy: 0.3993922512724741
Energy: 0.4008125702323108

minimum gb energy = 0.3993922512718357 eV
minimum distance =  2.65493188213435 Angstroms
sigma value = 3


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

Energy: 2.143661909747314
Energy: 1.737353893885936
Energy: 1.5512863435934154
Energy: 1.737353893885936
Energy: 2.143661909746415
Energy: 1.7373538938868356
Energy: 2.581306406745686
Energy: 1.301428433453726
Energy: 1.3224880415654807
Energy: 1.3014284334546253
Energy: 2.5813064067460947
Energy: 1.3014284334551158
Energy: 1.9254673350354685
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Energy: 1.5612478851908564
Energy: 2.004515976844248
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Energy: 1.2881957841648124
Energy: 1.5612478851895482
Energy: 1.285643403715259
Energy: 1.656294163959291
Energy: 1.7007199510816102
Energy: 1.6562941639601085
Energy: 1.2856434037148505
Energy: 1.6562941639597
Energy: 1.3374265642006595
Energy: 1.5838984926070596
Energy: 2.000114638551216
Energy: 1.5838984926074684
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Energy: 1.284297507314433
Energy: 1.7086744450378184
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Energy: 1.284297507314433
Energy: 1.7086744450378184
Energy: 1.2884226228420343
Energy: 1.3014451819741277
Energy: 2.2409303967606533
Energy: 1.301445181975436
Energy: 1.2884226228420343
Energy: 1.301445181975027
Energy: 1.3333325560693081
Energy: 1.7332906433053916
Energy: 2.1174637046685287
Energy: 1.7332906433053916
Energy: 1.3333325560693081
Energy: 1.7332906433058006
Energy: 1.3371520092315747
Energy: 1.3447782865420967
Energy: 2.2438884765452776
Energy: 1.344778286541688
Energy: 1.3371520092319833
Energy: 1.3447782865411975
Energy: 1.3536816546128245
Energy: 1.708784649837987
Energy: 2.091141560666209
Energy: 1.708784649837987
Energy: 1.3536816546115165
Energy: 1.708784649837987
Energy: 1.2885759086434363
Energy: 1.3295206899564527
Energy: 2.214467991933948
Energy: 1.329520689956044
Energy: 1.288575908643845
Energy: 1.329520689956044
Energy: 1.3327634955967234
Energy: 1.6566640102016477
Energy: 1.7047485298526663
Energy: 1.6566640102016477
Energy: 1.3327634955967234
Energy: 1.6566640102025472
Energy: 1.3329890009504122
Energy: 1.5708463680107443
Energy: 1.8364878523780195
Energy: 1.5708463680102536
Energy: 1.3329890009499217
Energy: 1.5708463680107443
Energy: 1.6715687107633022
Energy: 1.6483139123667925
Energy: 1.6821786039050761
Energy: 1.6483139123672832
Energy: 1.6715687107637929
Energy: 1.6483139123667925

minimum gb energy = 1.2840745754868423 eV
minimum distance =  2.45792415964458 Angstroms
sigma value = 81


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

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Energy: 1.9201604245349873
Energy: 1.7469026929287625
Energy: 1.9201604245362216
Energy: 2.020052028897576
Energy: 1.9201604245362216
Energy: 2.4532741346952887
Energy: 1.4623758072090005
Energy: 1.474835389154141
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Energy: 2.453274134695906
Energy: 1.4623758072090005
Energy: 1.9698077500788038
Energy: 1.889993318582378
Energy: 1.7170054104975545
Energy: 1.889993318582378
Energy: 1.969807750079421
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Energy: 1.9476093639919725
Energy: 1.470632267710398
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Energy: 1.7174633952854705
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Energy: 1.7988374526324846
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Energy: 1.9073060790227834
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Energy: 1.42380505594426
Energy: 1.881038863701703
Energy: 1.9622314514572552
Energy: 1.8810388637023203
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Energy: 1.4300983628348325
Energy: 1.9076548917266312
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Energy: 1.4300983628348325
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Energy: 1.9094067231177674
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Energy: 2.4385782152484308
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Energy: 1.8906288233443032
Energy: 1.8994810733279746
Energy: 1.4237653515712336
Energy: 1.8994810733285916
Energy: 1.8906288233443032
Energy: 1.8994810733285916
Energy: 1.890364329109273
Energy: 1.8798023134040398
Energy: 1.4927649608324691
Energy: 1.8798023134034223
Energy: 1.890364329109273
Energy: 1.8798023134040398
Energy: 1.4303436735577992
Energy: 1.7990247992906376
Energy: 1.658622577773986
Energy: 1.7990247992906376
Energy: 1.4303436735577992
Energy: 1.7990247992900203
Energy: 1.430053504620674
Energy: 1.9076601123469321
Energy: 1.5392299067740562
Energy: 1.9076601123469321
Energy: 1.430053504621291
Energy: 1.9076601123469321
Energy: 1.4238188596671444
Energy: 1.8523508741159942
Energy: 1.903211994074911
Energy: 1.8523508741159942
Energy: 1.4238188596671444
Energy: 1.8523508741166115
Energy: 1.4237932742621064
Energy: 1.8810801273616133
Energy: 1.9624329479947682
Energy: 1.8810801273622306
Energy: 1.4237932742621064
Energy: 1.8810801273622306
Energy: 1.4307438680756446
Energy: 1.8543620987196359
Energy: 2.1727987785745406
Energy: 1.8543620987214873
Energy: 1.4307438680756446
Energy: 1.8543620987208702
Energy: 1.4914460170267745
Energy: 1.9073273576586691
Energy: 2.0157971442930425
Energy: 1.9073273576580518
Energy: 1.4914460170267745
Energy: 1.9073273576580518
Energy: 1.4240052934001992
Energy: 1.621230536129419
Energy: 2.2070450397611623
Energy: 1.621230536129419
Energy: 1.4240052934001992
Energy: 1.621230536129419
Energy: 1.536216680509212
Energy: 1.8810435772117693
Energy: 1.9622760934962757
Energy: 1.8810435772117693
Energy: 1.536216680509829
Energy: 1.8810435772123864
Energy: 1.4307291981709989
Energy: 1.6148108160771508
Energy: 1.9600600122500238
Energy: 1.6148108160771508
Energy: 1.4307291981709989
Energy: 1.6148108160765335
Energy: 1.4985078129264875
Energy: 1.786379847888405
Energy: 1.539812444583395
Energy: 1.7863798478890223
Energy: 1.4985078129264875
Energy: 1.7863798478890223
Energy: 1.4924443799654796
Energy: 1.7974950104729865
Energy: 1.7038114579208299
Energy: 1.7974950104729865
Energy: 1.4924443799654796
Energy: 1.7974950104729865

minimum gb energy = 1.4236417749953942 eV
minimum distance =  2.39532271025333 Angstroms
sigma value = 43


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

Energy: 2.2005209060712607
Energy: 2.0756645782769017
Energy: 1.8885849697205814
Energy: 2.0756645782761436
Energy: 2.200520906072019
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Energy: 2.467385338130295
Energy: 1.5842810351822336
Energy: 1.581154366360399
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Energy: 1.6044181894720984
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Energy: 1.7412326214448193
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Energy: 1.6039045376163028
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Energy: 1.5204497871768012
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Energy: 1.534099465764696
Energy: 2.027664028272404
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Energy: 1.5215929584767207
Energy: 1.9553883685464668
Energy: 1.6968726800705252
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Energy: 1.5215929584759629
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Energy: 1.5201352631826304
Energy: 1.521008055454482
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Energy: 1.5337931204975235
Energy: 1.965718986698271
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Energy: 2.1096582750439636
Energy: 1.756651244995825
Energy: 1.5341991084468556
Energy: 1.7566512449965832
Energy: 2.1096582750439636
Energy: 1.7566512449965832
Energy: 2.108733315163947
Energy: 1.9494161037123996
Energy: 1.814793240194449
Energy: 1.9494161037123996
Energy: 2.108733315163947
Energy: 1.9494161037116415
Energy: 2.1459193618686596
Energy: 2.026458090192685
Energy: 1.5200864144653163
Energy: 2.026458090191927
Energy: 2.1459193618694177
Energy: 2.026458090192685
Energy: 2.145401834955068
Energy: 2.02690638987844
Energy: 1.5202850337104636
Energy: 2.0269063898776816
Energy: 2.14540183495431
Energy: 2.0269063898776816
Energy: 2.1097707945495654
Energy: 2.053324700428332
Energy: 1.5338142109948527
Energy: 2.053324700427574
Energy: 2.1097707945495654
Energy: 2.053324700427574
Energy: 2.1085018309586756
Energy: 2.0817471298921997
Energy: 1.5824645376651494
Energy: 2.0817471298929573
Energy: 2.1085018309586756
Energy: 2.0817471298921997
Energy: 1.5355232831331795
Energy: 1.96643790862487
Energy: 1.5197709758891056
Energy: 1.9664379086256283
Energy: 1.5355232831331795
Energy: 1.96643790862487
Energy: 1.5335701068754912
Energy: 2.0260260657383964
Energy: 1.5347880965615888
Energy: 2.0260260657383964
Energy: 1.5335701068754912
Energy: 2.0260260657383964
Energy: 1.5226621111810958
Energy: 1.9705632632024677
Energy: 1.5336771551634867
Energy: 1.970563263200951
Energy: 1.5226621111818541
Energy: 1.9705632632024677
Energy: 1.5198088422106621
Energy: 2.0812864162332643
Energy: 1.6660042948061677
Energy: 2.0812864162332643
Energy: 1.5198088422106621
Energy: 2.0812864162332643
Energy: 1.5354766694433308
Energy: 2.026505119375206
Energy: 2.124429116638408
Energy: 2.026505119375206
Energy: 1.5354766694433308
Energy: 2.026505119375206
Energy: 1.6003294239858072
Energy: 2.0261499707272765
Energy: 2.147741942648148
Energy: 2.0261499707272765
Energy: 1.6003294239865655
Energy: 2.0261499707272765
Energy: 1.522838387626719
Energy: 2.027599834491562
Energy: 1.9324324331720646
Energy: 2.027599834490804
Energy: 1.522838387626719
Energy: 2.027599834490804
Energy: 1.6740634142179753
Energy: 1.9521302192359242
Energy: 1.6658062649290282
Energy: 1.9521302192359242
Energy: 1.6740634142179753
Energy: 1.9521302192359242
Energy: 1.5358866752474574
Energy: 1.7591868143032077
Energy: 1.876971532131866
Energy: 1.7591868143024496
Energy: 1.5358866752474574
Energy: 1.7591868143024496
Energy: 1.5803521068594453
Energy: 1.9645839293565346
Energy: 1.5349962019176304
Energy: 1.9645839293565346
Energy: 1.5803521068594453
Energy: 1.9645839293565346

minimum gb energy = 1.5197709758891056 eV
minimum distance =  2.41501842319799 Angstroms
sigma value = 57


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

Energy: 1.8472726834796265
Energy: 2.155351366945206
Energy: 1.653088045596843
Energy: 2.155351366945206
Energy: 1.8472726834796265
Energy: 2.155351366945206
Energy: 2.1279079739633886
Energy: 1.7422701633408082
Energy: 1.729795886143933
Energy: 1.7422701633408082
Energy: 2.127907973962407
Energy: 1.7422701633417899
Energy: 1.737542713396543
Energy: 2.15189051492287
Energy: 1.6525335311927722
Energy: 2.15189051492287
Energy: 1.737542713396543
Energy: 2.15189051492287
Energy: 1.7370748842983774
Energy: 1.6540627767575073
Energy: 1.728524232586383
Energy: 1.6540627767575073
Energy: 1.7370748842983774
Energy: 1.6540627767565255
Energy: 1.6744087360031124
Energy: 1.7295336493423745
Energy: 1.9478592021854042
Energy: 1.7295336493423745
Energy: 1.6744087360031124
Energy: 1.7295336493423745
Energy: 1.707323897211761
Energy: 2.1461885604823157
Energy: 1.7390586230974394
Energy: 2.1461885604823157
Energy: 1.707323897211761
Energy: 2.1461885604823157
Energy: 1.6519723904741592
Energy: 1.9277525036356533
Energy: 2.1279395298526014
Energy: 1.9277525036356533
Energy: 1.6519723904741592
Energy: 1.9277525036356533
Energy: 1.7351013670627013
Energy: 2.146375715734182
Energy: 1.846389136464555
Energy: 2.146375715734182
Energy: 1.7351013670617197
Energy: 2.146375715734182
Energy: 1.6745245914788385
Energy: 1.7433113151140471
Energy: 1.6620326740183875
Energy: 1.7433113151140471
Energy: 1.6745245914778568
Energy: 1.7433113151140471
Energy: 1.6519426815491647
Energy: 2.165835799655571
Energy: 1.7389442187700987
Energy: 2.165835799655571
Energy: 1.6519426815491647
Energy: 2.165835799655571
Energy: 1.6517366085790224
Energy: 1.6528075457319795
Energy: 1.6521436940096248
Energy: 1.6528075457309979
Energy: 1.6517366085790224
Energy: 1.6528075457309979
Energy: 1.6743301817107006
Energy: 1.9402628088695175
Energy: 1.7281714281641116
Energy: 1.9402628088695175
Energy: 1.674330181709719
Energy: 1.9402628088685356
Energy: 1.6743365936067944
Energy: 2.148477580533955
Energy: 1.6943416880341102
Energy: 2.1484775805329734
Energy: 1.6743365936067944
Energy: 2.148477580533955
Energy: 2.067400915703427
Energy: 2.194846334734098
Energy: 1.651883447297332
Energy: 2.194846334734098
Energy: 2.067400915719133
Energy: 2.194846334734098
Energy: 2.468326366973837
Energy: 2.147269343695568
Energy: 1.6990203038196148
Energy: 2.147269343695568
Energy: 2.4683263669748183
Energy: 2.147269343695568
Energy: 1.6744100298856195
Energy: 2.1464293850293616
Energy: 1.675418074570821
Energy: 2.1464293850283798
Energy: 1.6744100298866011
Energy: 2.1464293850283798
Energy: 1.674203845299737
Energy: 1.9420660880870517
Energy: 1.65171336251436
Energy: 1.9420660880880332
Energy: 1.674203845299737
Energy: 1.9420660880870517
Energy: 1.6517897382527393
Energy: 1.9718998750806622
Energy: 1.6520511974947931
Energy: 1.9718998750796803
Energy: 1.651789738253721
Energy: 1.9718998750806622
Energy: 1.6516996952059444
Energy: 1.9420019156736636
Energy: 1.6742256506519935
Energy: 1.9420019156736636
Energy: 1.6516996952059444
Energy: 1.9420019156736636
Energy: 1.6749613531076837
Energy: 2.1461270968015405
Energy: 1.6745848402622503
Energy: 2.1461270968005586
Energy: 1.6749613531076837
Energy: 2.1461270968005586
Energy: 1.698829045289072
Energy: 2.147763963749204
Energy: 2.468313734130922
Energy: 2.1477639637482224
Energy: 1.6988290452861272
Energy: 2.147763963749204
Energy: 1.6518616420824144
Energy: 1.927469207414508
Energy: 2.0671357938664428
Energy: 1.927469207414508
Energy: 1.6518616420824144
Energy: 1.927469207414508
Energy: 1.7407661690029792
Energy: 2.148533626929991
Energy: 1.67432723568105
Energy: 2.1485336269290096
Energy: 1.7407661690019975
Energy: 2.148533626929991
Energy: 1.7280184552817501
Energy: 1.9400597624968694
Energy: 1.6744423609283172
Energy: 1.9400597624968694
Energy: 1.7280184552817501
Energy: 1.9400597624968694

minimum gb energy = 1.6516996952059444 eV
minimum distance =  2.41448836215767 Angstroms
sigma value = 17


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

Energy: 1.8381591194976301
Energy: 1.8391221371592634
Energy: 2.1876685547151786
Energy: 1.8391221371592634
Energy: 1.8381591194976301
Energy: 1.8391221371592634
Energy: 1.8475763354833152
Energy: 1.8296045356117083
Energy: 1.831302391940521
Energy: 1.8296045356117083
Energy: 1.8475763354860917
Energy: 1.8296045356117083
Energy: 1.8293111968230307
Energy: 1.8293958112779818
Energy: 2.186848080615241
Energy: 1.8293958112779818
Energy: 1.8293111968230307
Energy: 1.8293958112779818
Energy: 1.899504416645031
Energy: 1.8283171889818859
Energy: 1.8265420996170545
Energy: 1.8283171889818859
Energy: 1.8995044166436428
Energy: 1.8283171889818859
Energy: 1.8277917606370793
Energy: 1.8299964242534834
Energy: 1.8490502646932745
Energy: 1.8299964242534834
Energy: 1.8277917606370793
Energy: 1.8299964242534834
Energy: 1.8281024819334801
Energy: 1.8367290203807325
Energy: 1.8354122361805798
Energy: 1.8367290203807325
Energy: 1.8281024819334801
Energy: 1.8367290203807325
Energy: 1.8371490206758538
Energy: 2.0472537169490264
Energy: 1.847363913998113
Energy: 2.0472537169490264
Energy: 1.8371490206758538
Energy: 2.0472537169476386
Energy: 1.8275185081558885
Energy: 2.1622487745620877
Energy: 1.8267369324762925
Energy: 2.1622487745620877
Energy: 1.8275185081558885
Energy: 2.162248774563476
Energy: 1.8276703163375
Energy: 1.82880622424749
Energy: 2.014512672048854
Energy: 1.8288062242488785
Energy: 1.8276703163375
Energy: 1.8288062242488785
Energy: 1.8375577637646123
Energy: 1.807016942574408
Energy: 1.831476093608523
Energy: 1.807016942574408
Energy: 1.8375577637646123
Energy: 1.807016942574408
Energy: 1.8370228944377076
Energy: 2.1581833744141337
Energy: 1.8305362800321012
Energy: 2.1581833744141337
Energy: 1.8370228944390958
Energy: 2.1581833744141337
Energy: 1.8286379423095387
Energy: 1.8309729094762999
Energy: 1.8450489976711715
Energy: 1.8309729094762999
Energy: 1.8286379423109271
Energy: 1.8309729094762999
Energy: 1.8277390836028136
Energy: 2.0720269009942838
Energy: 1.8293918188426614
Energy: 2.0720269009942838
Energy: 1.8277390836028136
Energy: 2.072026900992895
Energy: 1.8300495929695726
Energy: 1.828953092473699
Energy: 1.8358597175426803
Energy: 1.828953092473699
Energy: 1.8300495929695726
Energy: 1.828953092473699
Energy: 1.836241801076006
Energy: 2.1457922807198475
Energy: 1.8365191995258403
Energy: 2.1457922807198475
Energy: 1.836241801076006
Energy: 2.1457922807198475
Energy: 1.8431305114050685
Energy: 2.159807327451717
Energy: 1.844283036948254
Energy: 2.159807327451717
Energy: 1.8431305114050685
Energy: 2.1598073274531053
Energy: 1.8295865447317425
Energy: 1.8305548486095873
Energy: 1.8281525406647008
Energy: 1.8305548486095873
Energy: 1.8295865447317425
Energy: 1.8305548486095873

minimum gb energy = 1.807016942574408 eV
minimum distance =  2.43759382612997 Angstroms
sigma value = 17


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

Energy: 2.427591672148306
Energy: 2.4332407352856076
Energy: 2.5858356458630323
Energy: 2.4332407352856076
Energy: 2.427591672149378
Energy: 2.4332407352861436
Energy: 2.2332841207153513
Energy: 1.8630271587484215
Energy: 1.8454420951301376
Energy: 1.8630271587484215
Energy: 2.2332841207142793
Energy: 1.8630271587484215
Energy: 1.8459318488831598
Energy: 1.9509477015993648
Energy: 2.224109950158864
Energy: 1.9509477015977563
Energy: 1.8459318488826237
Energy: 1.9509477015977563
Energy: 1.8626762264471275
Energy: 2.249148099689369
Energy: 1.951970438021292
Energy: 2.249148099688297
Energy: 1.8626762264487355
Energy: 2.2491480996866886
Energy: 1.8426760582186317
Energy: 1.9089904240143107
Energy: 2.2678994710245326
Energy: 1.9089904240148468
Energy: 1.8426760582186317
Energy: 1.9089904240143107
Energy: 2.0081500482900814
Energy: 2.259547944572454
Energy: 1.98216992029072
Energy: 2.259547944571382
Energy: 2.0081500482890093
Energy: 2.259547944571382
Energy: 1.8478078345797637
Energy: 1.9723012609546573
Energy: 2.2528429551126976
Energy: 1.9723012609551933
Energy: 1.8478078345797637
Energy: 1.9723012609530488
Energy: 2.2149023360224263
Energy: 2.054628999688746
Energy: 1.8421878833668397
Energy: 2.054628999688746
Energy: 2.2149023360218902
Energy: 2.0546289996871376
Energy: 1.983520522298565
Energy: 2.26075188221808
Energy: 1.863563264869986
Energy: 2.2607518822191515
Energy: 1.983520522298029
Energy: 2.2607518822175434
Energy: 2.4602766690071283
Energy: 1.9112559564109275
Energy: 1.850124814782355
Energy: 1.9402234342503248
Energy: 2.4602766690071283
Energy: 1.9112559564103915
Energy: 1.9533171336807407
Energy: 2.3348661466840372
Energy: 1.98395552156989
Energy: 2.3348661466835012
Energy: 1.9533171336807407
Energy: 2.3348661466840372
Energy: 1.8672106073102723
Energy: 2.269349565878774
Energy: 1.8621940419611125
Energy: 2.2693495658642995
Energy: 1.8672106073108083
Energy: 2.2693495658830627
Energy: 1.8515422725553539
Energy: 2.0652948866861345
Energy: 2.478112806929075
Energy: 2.0652948866893506
Energy: 1.8515422725548178
Energy: 2.06529488668399
Energy: 1.863698233629305
Energy: 2.4996479348334733
Energy: 2.4280603393267475
Energy: 2.499647934832937
Energy: 1.863698233630377
Energy: 2.499647934832937
Energy: 1.8486368480756923
Energy: 2.5725675213041868
Energy: 1.949916374221081
Energy: 2.572567521303115
Energy: 1.8486368480751563
Energy: 2.572567521303115
Energy: 1.952737806166441
Energy: 2.3356730987589955
Energy: 1.8623176361963012
Energy: 2.440080379989072
Energy: 1.952737806166441
Energy: 2.3356730987595316
Energy: 1.9676445063857206
Energy: 2.425888689573433
Energy: 1.8620972393349882
Energy: 2.4258886895723615
Energy: 1.9676445063857206
Energy: 2.425888689571825
Energy: 2.4368651748977643
Energy: 2.2158714224057525
Energy: 1.85801498655528
Energy: 2.2158714224105776
Energy: 2.4368651748983003
Energy: 2.2158714224057525
Energy: 2.200804976213019
Energy: 2.1842679544585692
Energy: 1.8416534054411846
Energy: 2.184267954429085
Energy: 2.200804976219988
Energy: 2.184267954455353
Energy: 1.8416796307232859
Energy: 2.14523869752468
Energy: 1.8412647075137711
Energy: 2.5685068506174553
Energy: 1.841679630723822
Energy: 2.1452386976184465
Energy: 1.8418128455020517
Energy: 2.1842713204882966
Energy: 2.4231151086279343
Energy: 2.184271320487224
Energy: 1.8418128455015157
Energy: 2.1842713204882966
Energy: 1.8580030039517597
Energy: 2.21752442145802
Energy: 2.4451154394139736
Energy: 2.2175244214574845
Energy: 1.8580030039512234
Energy: 2.217524421460165
Energy: 1.8493887768620432
Energy: 2.423932675143868
Energy: 1.9675970306532444
Energy: 2.4239326751433317
Energy: 1.8493887768631154
Energy: 2.423932675143868
Energy: 1.862198538853846
Energy: 2.2861906114654498
Energy: 1.9531844802757403
Energy: 2.32972896500643
Energy: 1.862198538853846
Energy: 2.2861906114654498
Energy: 1.9494352868442537
Energy: 2.5725410236834856
Energy: 1.861821885643146
Energy: 2.5725410236829496
Energy: 1.9494352868421092
Energy: 2.5725410236829496
Energy: 2.4280348023609544
Energy: 2.4996351688267358
Energy: 1.863545389294573
Energy: 2.499635168827272
Energy: 2.428034802359882
Energy: 2.499635168827272
Energy: 2.478743196402392
Energy: 2.058844660744921
Energy: 1.8519138001656572
Energy: 2.0588446607588593
Energy: 2.4787431964034643
Energy: 2.058844660737416
Energy: 1.8622137376637877
Energy: 2.260949635553454
Energy: 1.866754933911261
Energy: 2.2609496355555985
Energy: 1.8622137376637877
Energy: 2.2609496355555985
Energy: 1.982790251088434
Energy: 2.3381885825004285
Energy: 1.953472366088143
Energy: 2.3381885824993565
Energy: 1.982790251088434
Energy: 2.3381885825004285
Energy: 1.850147002831282
Energy: 2.0326077389700634
Energy: 2.4601151259021417
Energy: 2.032607738969527
Energy: 1.8501470028302098
Energy: 2.032607738969527
Energy: 1.8639538714255015
Energy: 2.2609378746960873
Energy: 1.983328061147837
Energy: 2.260937874695551
Energy: 1.8639538714249655
Energy: 2.260937874695551
Energy: 1.8421896364508608
Energy: 2.0551301055672724
Energy: 2.214735348990444
Energy: 2.0551301055431486
Energy: 1.8421896364508608
Energy: 2.0551301056052855
Energy: 2.253159534957307
Energy: 1.9717431061493467
Energy: 1.8478101475763247
Energy: 1.971743106148274
Energy: 2.2531595349578435
Energy: 1.9717431061493467
Energy: 1.9821073685117567
Energy: 2.259310616442138
Energy: 2.006956479539273
Energy: 2.259310616442138
Energy: 1.9821073685117567
Energy: 2.259310616441066
Energy: 2.2355224287684927
Energy: 1.9089904240137745
Energy: 1.8426550752183315
Energy: 1.9089904240132383
Energy: 2.2355224287690287
Energy: 1.9089904240137745
Energy: 1.9521332146086008
Energy: 2.250806584771319
Energy: 1.861911687671242
Energy: 2.250806584769711
Energy: 1.9521332146086008
Energy: 2.2508065847734633
Energy: 2.2238675996450574
Energy: 1.9491438064921658
Energy: 1.8454934585705953
Energy: 1.9491438064921658
Energy: 2.223867599647202
Energy: 1.9491438064927016
Energy: 1.8454353688225038
Energy: 1.8627049387249464
Energy: 2.233337083427065
Energy: 1.8627049387249464
Energy: 1.8454353688225038
Energy: 1.8627049387244103
Energy: 2.2527823560346905
Energy: 2.4332407352856076
Energy: 2.427591672146698
Energy: 2.4332407352856076
Energy: 2.252782356033618
Energy: 2.4332407352850716
Energy: 1.8454420951296016
Energy: 1.8630271587484215
Energy: 2.2332841207153513
Energy: 1.8630271587484215
Energy: 1.8454420951301376
Energy: 1.8630271587484215
Energy: 2.2241099501593995
Energy: 1.9509477015993648
Energy: 1.8459318488831598
Energy: 1.950947701598293
Energy: 2.2241099501593995
Energy: 1.9509477015993648
Energy: 1.951970438021292
Energy: 2.2491480996866886
Energy: 1.8626762264460555
Energy: 2.249148099687761
Energy: 1.951970438021292
Energy: 2.2491480996861526
Energy: 2.2678994710239966
Energy: 1.9089904240143107
Energy: 1.8426760582186317
Energy: 1.9089904240148468
Energy: 2.2678994710250686
Energy: 1.9089904240143107

minimum gb energy = 1.8412647075137711 eV
minimum distance =  2.41384920623879 Angstroms
sigma value = 57


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

Energy: 1.9952203511851072
Energy: 2.411952465388341
Energy: 2.27779362068727
Energy: 2.4119524653892137
Energy: 1.99522035118598
Energy: 2.4119524653900863
Energy: 1.993630928465372
Energy: 1.8231152701512365
Energy: 1.8229896618835741
Energy: 1.823115270150364
Energy: 1.9936309284644989
Energy: 1.8231152701521094
Energy: 1.804931071909776
Energy: 1.9937225343560199
Energy: 2.215471371804174
Energy: 1.9937225343560199
Energy: 1.804931071909776
Energy: 1.993722534356893
Energy: 2.1244290209213474
Energy: 1.9609153948653237
Energy: 1.9599221928709758
Energy: 1.9609153948661968
Energy: 2.1244290209222205
Energy: 1.9609153948661968
Energy: 1.8113793512841467
Energy: 1.8952864503765052
Energy: 2.0771471518623557
Energy: 1.8952864503756324
Energy: 1.8113793512841467
Energy: 1.8952864503756324
Energy: 1.9946824797797076
Energy: 1.9602867124737875
Energy: 1.9601519407376282
Energy: 1.9602867124737875
Energy: 1.9946824792850244
Energy: 1.9602867124729149
Energy: 1.811351380789402
Energy: 1.9844592690114626
Energy: 1.8214905663879704
Energy: 1.9844592690114626
Energy: 1.811351380789402
Energy: 1.9844592690105902
Energy: 1.805768443662744
Energy: 1.8884295214148994
Energy: 1.8230400509580045
Energy: 1.8884295214183906
Energy: 1.8057684436522694
Energy: 1.888429521415772
Energy: 1.9971847922701849
Energy: 2.450530220727719
Energy: 1.8208032327955648
Energy: 2.4505302207242274
Energy: 1.9971847922693118
Energy: 2.4505302207268467
Energy: 1.9858525837559355
Energy: 1.8231204354852106
Energy: 1.8388986821750035
Energy: 1.8231204354817192
Energy: 1.9858525837568082
Energy: 1.8231204354843378
Energy: 1.8112409422995819
Energy: 2.128204291830843
Energy: 1.9632752411592675
Energy: 2.1282042918317154
Energy: 1.8112409422995819
Energy: 2.128204291830843
Energy: 1.8955195039637223
Energy: 1.9652731838869695
Energy: 1.965986657894514
Energy: 1.9652731838860968
Energy: 1.8955195039628492
Energy: 1.9652731838852238
Energy: 1.8153268954378632
Energy: 2.2644756222689724
Energy: 1.9612415011767368
Energy: 2.264475622262863
Energy: 1.815326895439609
Energy: 2.2644756222576254
Energy: 1.991084587195435
Energy: 2.3037907238459034
Energy: 1.9667528495356832
Energy: 2.303790723846776
Energy: 1.991084587195435
Energy: 2.3037907238459034
Energy: 1.8042960406667699
Energy: 1.9841022079336263
Energy: 1.8207954647994051
Energy: 1.9841022079344997
Energy: 1.8042960406667699
Energy: 1.9841022079371182
Energy: 2.354811807792153
Energy: 2.219332136758156
Energy: 1.838571702336482
Energy: 2.21933213675641
Energy: 2.3548118077720765
Energy: 2.21933213675641
Energy: 2.00756541879261
Energy: 2.508446993798807
Energy: 1.8216422214604746
Energy: 2.5084469937979335
Energy: 2.007565418791737
Energy: 2.508446993797061
Energy: 1.981067951019135
Energy: 1.984787071439465
Energy: 1.8218605423087169
Energy: 1.9847870714351008
Energy: 1.9810679510165163
Energy: 1.9847870714368463
Energy: 1.8045822923301447
Energy: 2.12995604801995
Energy: 1.9616660426067791
Energy: 2.129956048017332
Energy: 1.8045822923318902
Energy: 2.129956048017332
Energy: 1.9862120665843623
Energy: 2.526644940099543
Energy: 1.9790078198707999
Energy: 2.5266449400969244
Energy: 1.9862120665817435
Energy: 2.526644940097797
Energy: 1.810103793040985
Energy: 2.2637858256134877
Energy: 1.9626430633346672
Energy: 2.2637858256134877
Energy: 1.810103793040985
Energy: 2.2637858256134877
Energy: 1.804448484755355
Energy: 2.1300932231286653
Energy: 1.9804316912618873
Energy: 2.1300932228791014
Energy: 1.8044484847562277
Energy: 2.130093223058835
Energy: 1.803964248341429
Energy: 1.986767945255761
Energy: 1.821069127984245
Energy: 1.9867679452513969
Energy: 1.803964248341429
Energy: 1.9867679452540155
Energy: 2.016965024215519
Energy: 2.5225422384954084
Energy: 1.8214388490132372
Energy: 2.5225422384954084
Energy: 2.016965024215519
Energy: 2.5225422384954084
Energy: 1.9984718069101879
Energy: 2.276117692921496
Energy: 1.821664664852094
Energy: 2.27611769291975
Energy: 1.998471806916298
Energy: 2.27611769291975
Energy: 1.8039896271654972
Energy: 1.9858651943152505
Energy: 1.8200717810144023
Energy: 1.9858651943143772
Energy: 1.8039896271654972
Energy: 1.9858651943135048
Energy: 1.8045247941847025
Energy: 2.13101011952647
Energy: 1.971599596972202
Energy: 2.131010119525597
Energy: 1.8045247941855753
Energy: 2.13101011952647

minimum gb energy = 1.803964248341429 eV
minimum distance =  2.35955111051584 Angstroms
sigma value = 43


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

Energy: 2.043502901585961
Energy: 2.3748516989731496
Energy: 2.396466242957226
Energy: 2.3748516989725137
Energy: 2.043502901585961
Energy: 2.3748516989737856
Energy: 2.0195171094216544
Energy: 1.86090730691034
Energy: 1.8300853274213955
Energy: 1.860907306909704
Energy: 2.019517109423562
Energy: 1.860907306909704
Energy: 1.8293356256252369
Energy: 2.009227799397213
Energy: 2.104958560876848
Energy: 2.009227799397213
Energy: 1.8293356256258728
Energy: 2.0092277993959415
Energy: 2.3544763990028366
Energy: 2.34536803349835
Energy: 1.9875952484370547
Energy: 2.34536803349835
Energy: 2.3544763990022006
Energy: 2.34536803349835
Energy: 1.8468740800161594
Energy: 1.9360111825251687
Energy: 2.080449365186064
Energy: 1.9360111825213528
Energy: 1.8468740800155234
Energy: 1.936011182510541
Energy: 2.334391618373767
Energy: 1.9784589252830003
Energy: 1.8456161110838367
Energy: 1.9784589252836362
Energy: 2.334391618374403
Energy: 1.9784589252830003
Energy: 1.849597330870844
Energy: 1.9780188211556127
Energy: 1.8598945244747898
Energy: 1.9780188211549767
Energy: 1.849597330870208
Energy: 1.9780188211549767
Energy: 2.0986115278891115
Energy: 1.9320761784649363
Energy: 1.8463682698613764
Energy: 1.9320761784655722
Energy: 2.0986115278884756
Energy: 1.932076178466844
Energy: 1.9892737508983702
Energy: 2.3457337741207445
Energy: 2.359581960745072
Energy: 2.3457337741201085
Energy: 1.9892737508983702
Energy: 2.3457337741194726
Energy: 2.1958128292498404
Energy: 2.010639785503464
Energy: 1.8301504996345301
Energy: 2.0106397855041
Energy: 2.1958128293292805
Energy: 2.0106397855041
Energy: 1.8332034749891268
Energy: 1.9132994850268978
Energy: 2.3545283028378634
Energy: 1.9132994850268978
Energy: 1.8332034749891268
Energy: 1.91329948502817
Energy: 1.8603717923780034
Energy: 2.5477358639136956
Energy: 2.0474015790690916
Energy: 2.5477358639143315
Energy: 1.8603717923767316
Energy: 2.5477358639143315
Energy: 1.8290508369499145
Energy: 1.8581631670802379
Energy: 2.02679889303763
Energy: 1.8581631670802379
Energy: 1.8290508369499145
Energy: 1.8581631670802379
Energy: 1.9909252558776636
Energy: 2.101097706985913
Energy: 1.8300592297608873
Energy: 2.1010977069865495
Energy: 1.9909252558770272
Energy: 2.101097706985913
Energy: 1.99701454684433
Energy: 2.3096078185828857
Energy: 1.8870577959523045
Energy: 2.3095989729636193
Energy: 1.99701454684433
Energy: 2.309601530054485
Energy: 1.9780069692059736
Energy: 2.01135040131065
Energy: 1.844570600699521
Energy: 2.011350400960397
Energy: 1.9780069692047015
Energy: 2.0113504006100866
Energy: 1.844934860171395
Energy: 2.1198336537351974
Energy: 1.9916546858221043
Energy: 2.1198336537148457
Energy: 1.844934860171395
Energy: 2.1198336537186617
Energy: 1.85717611732199
Energy: 1.9796395426189415
Energy: 1.8447430274635117
Energy: 1.9796395426202136
Energy: 1.857176117320082
Energy: 1.9796395426202136
Energy: 1.8689283065864102
Energy: 2.079018111369932
Energy: 1.9894394050332658
Energy: 2.079018111369932
Energy: 1.8689283065864102
Energy: 2.079018111369296
Energy: 1.8304969000462363
Energy: 2.2671805322358956
Energy: 1.9904194567281464
Energy: 2.267180532237804
Energy: 1.8304969000456004
Energy: 2.2671805322352596
Energy: 1.8304714857038928
Energy: 2.0118653446504946
Energy: 1.8578621652897436
Energy: 2.0118653446473154
Energy: 1.8304714857038928
Energy: 2.0118653446511305
Energy: 2.586344017804726
Energy: 2.104872354733341
Energy: 1.8294390751072636
Energy: 2.1048723553690922
Energy: 2.586344017804726
Energy: 2.1048723535579303
Energy: 2.5695449542982742
Energy: 2.194448338672585
Energy: 1.8596991606492301
Energy: 2.194448338674493
Energy: 2.5695449543014544
Energy: 2.194448338674493
Energy: 1.8278282456435018
Energy: 2.0125762055981493
Energy: 1.8599656934753073
Energy: 2.012576205595605
Energy: 1.8278282456422295
Energy: 2.0125762055962415
Energy: 1.829665175077774
Energy: 2.2594401452528103
Energy: 1.9893292854332711
Energy: 2.2594401452534463
Energy: 1.829665175076502
Energy: 2.2594401452534463
Energy: 1.8690135308458937
Energy: 2.2949762443945967
Energy: 1.988674109209027
Energy: 2.2949762443952326
Energy: 1.8690135308458937
Energy: 2.2949762443939608
Energy: 1.87068331857983
Energy: 2.010341406100352
Energy: 1.9808241594078346
Energy: 2.0103414057043083
Energy: 1.87068331857983
Energy: 2.010341405226281
Energy: 1.978108364577421
Energy: 2.59313527860954
Energy: 1.9773427077977077
Energy: 2.59313527860954
Energy: 1.978108364576785
Energy: 2.59313527860954
Energy: 1.9772986398227121
Energy: 2.0103652757958925
Energy: 1.865012848589249
Energy: 2.01036510540992
Energy: 1.9772986398227121
Energy: 2.010365009000348
Energy: 1.9898581419455805
Energy: 2.29682684632731
Energy: 1.8691776934467048
Energy: 2.2968268463279458
Energy: 1.9898581419455805
Energy: 2.2968268463279458
Energy: 1.9888921884690456
Energy: 2.2596309481486525
Energy: 1.829871423534039
Energy: 2.2596309481486525
Energy: 1.9888921884690456
Energy: 2.2596309481492884
Energy: 1.8599203655566914
Energy: 2.0134148552054376
Energy: 1.8329058374940905
Energy: 2.013414855206074
Energy: 1.859920365557327
Energy: 2.013414855207346
Energy: 1.8608765739756536
Energy: 2.1952331942737513
Energy: 2.3046274586754043
Energy: 2.1952331942731154
Energy: 1.8608765739750177
Energy: 2.1952331942731154
Energy: 1.8293504360567858
Energy: 2.105109134688227
Energy: 2.5886151703164777
Energy: 2.1051091346984028
Energy: 1.8293504360567858
Energy: 2.105109134692043
Energy: 1.8574174940924049
Energy: 2.013518556432203
Energy: 1.829340049493636
Energy: 2.0135185564328393
Energy: 1.8574174940924049
Energy: 2.013518556433475
Energy: 2.0031062636603005
Energy: 2.263258763528838
Energy: 1.8285130191635424
Energy: 2.2632587634798673
Energy: 2.0031062636603005
Energy: 2.263258763453792

minimum gb energy = 1.8278282456422295 eV
minimum distance =  2.37223515592672 Angstroms
sigma value = 81


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

Energy: 1.766219409101462
Energy: 1.766036491758362
Energy: 2.031565925078036
Energy: 1.7660364917581233
Energy: 1.7662194091010104
Energy: 1.7660364917579108
Energy: 2.2305337975329613
Energy: 1.7674727140984803
Energy: 1.7659319259979163
Energy: 1.767472714098693
Energy: 2.2305337975327495
Energy: 1.767472714098932
Energy: 1.7659245367181142
Energy: 1.7671856365407659
Energy: 2.230693659929293
Energy: 1.767185636540288
Energy: 1.7659245367181142
Energy: 1.767185636540288
Energy: 2.4233744385185894
Energy: 1.766036491758362
Energy: 1.7662194091010104
Energy: 1.7660364917579108
Energy: 2.42337443851835
Energy: 1.766036491758601
Energy: 1.7659319259979163
Energy: 1.7674727140982414
Energy: 2.2305337975329613
Energy: 1.7674727140984803
Energy: 1.7659319259976771
Energy: 1.767472714098693
Energy: 2.2306936599286025
Energy: 1.767185636540527
Energy: 1.765924536717875
Energy: 1.767185636540527
Energy: 2.230693659929532
Energy: 1.7671856365407659
Energy: 1.766219409101701
Energy: 1.7660364917581233
Energy: 2.423374438523263
Energy: 1.7660364917581233
Energy: 1.766219409101462
Energy: 1.766036491758601
Energy: 2.2305337975327495
Energy: 1.7674727140991708
Energy: 1.7659319259974382
Energy: 1.767472714098693
Energy: 2.2305337975332007
Energy: 1.7674727140984803
Energy: 1.7659245367181142
Energy: 1.767185636541005
Energy: 2.230693659929054
Energy: 1.767185636541005
Energy: 1.765924536717875
Energy: 1.767185636541005
Energy: 1.9889944081546094
Energy: 1.766036491758601
Energy: 1.766219409101462
Energy: 1.7660364917576719
Energy: 1.9889944081548485
Energy: 1.7660364917579108

minimum gb energy = 1.765924536717875 eV
minimum distance =  2.42921024961337 Angstroms
sigma value = 3


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

Energy: 2.404909105550729
Energy: 2.027437489965763
Energy: 2.6195933469220076
Energy: 2.0274374899671614
Energy: 2.4049091055514284
Energy: 2.0274374899678604
Energy: 2.4359271710151686
Energy: 1.918551441181559
Energy: 1.7950650572223725
Energy: 1.9185514411899507
Energy: 2.435927170230928
Energy: 1.9185514411759652
Energy: 1.8234793666951736
Energy: 1.8227799314122126
Energy: 2.068866559923309
Energy: 1.8227799314136115
Energy: 1.8234793666951736
Energy: 1.8227799314143105
Energy: 2.545489657309598
Energy: 2.4145271312052135
Energy: 1.9076236396454858
Energy: 2.414527131204514
Energy: 2.545489657310297
Energy: 2.414527131202416
Energy: 1.883424272651996
Energy: 1.8847703509538238
Energy: 2.4996556410354684
Energy: 1.8847703509552223
Energy: 1.883424272651996
Energy: 1.8847703509552223
Energy: 2.0954417544287813
Energy: 1.9107732262328767
Energy: 1.8028565925965006
Energy: 1.9107732262328767
Energy: 2.0954417544287813
Energy: 1.910773226233576
Energy: 1.8835066553330395
Energy: 1.8851060021054895
Energy: 2.162190390229886
Energy: 1.8851060021061887
Energy: 1.8835066553330395
Energy: 1.8851060021054895
Energy: 1.8852026150801326
Energy: 2.3618627090267417
Energy: 1.909607133741409
Energy: 2.3618627090274407
Energy: 1.8852026150794328
Energy: 2.3618627090253432
Energy: 1.8235518681062939
Energy: 2.2784943395323642
Energy: 2.3739226225122105
Energy: 2.2784943395323642
Energy: 1.823551868104196
Energy: 2.2784943395323642
Energy: 1.8252245036484414
Energy: 1.9181169280495067
Energy: 1.7933734581382201
Energy: 1.9181169280495067
Energy: 1.8252245036477424
Energy: 1.9181169280495067
Energy: 2.3569849812014607
Energy: 1.7947545039015511
Energy: 1.919020939368161
Energy: 1.7947545039183335
Energy: 2.3569849812014607
Energy: 1.7947545039245956
Energy: 2.405724954743131
Energy: 2.1742873924590476
Energy: 1.793369570586316
Energy: 2.1742873924590476
Energy: 2.405724954743131
Energy: 2.1742873924597474
Energy: 1.8233201384818454
Energy: 2.009493241293387
Energy: 1.7955801027887295
Energy: 2.0094932412940865
Energy: 1.8233201384818454
Energy: 2.0094932412947855
Energy: 1.8250626393396028
Energy: 2.043123600547767
Energy: 1.9159036170373145
Energy: 2.043123600546368
Energy: 1.8250626393403022
Energy: 2.043123600546368
Energy: 1.8846115221670572
Energy: 2.166198066452426
Energy: 1.910850024326633
Energy: 2.1661980664531253
Energy: 1.8846115221663577
Energy: 2.1661980664531253
Energy: 1.8849286041084654
Energy: 2.2581636910606915
Energy: 1.7995468147757425
Energy: 2.258163691064887
Energy: 1.8849286041091644
Energy: 2.258163691059992
Energy: 1.8845203965655617
Energy: 2.2446531008908877
Energy: 1.8004795781120368
Energy: 2.2446531008894883
Energy: 1.8845203965655617
Energy: 2.2446531008894883
Energy: 1.8844046052693821
Energy: 2.0691997644039932
Energy: 1.9096532137458015
Energy: 2.0691997644032942
Energy: 1.8844046052686831
Energy: 2.0691997644032942
Energy: 1.8234252016513404
Energy: 2.0430851863768194
Energy: 1.9100426398459718
Energy: 2.0430851863782173
Energy: 1.8234252016513404
Energy: 2.0430851863775183
Energy: 1.8235028241660247
Energy: 1.921445266850876
Energy: 1.7949814382986875
Energy: 1.9214452668515751
Energy: 1.8235028241653255
Energy: 1.9214452668515751
Energy: 2.3835796022234583
Energy: 2.17373267469579
Energy: 1.7937100328751454
Energy: 2.1737326746936922
Energy: 2.3835796022241578
Energy: 2.1737326746936922
Energy: 2.359380408278483
Energy: 1.792999246918669
Energy: 1.9159618504026148
Energy: 1.792999246918669
Energy: 2.359380408278483
Energy: 1.7929992469179699
Energy: 1.8244558855611464
Energy: 1.9178295878222262
Energy: 1.7938221939318537
Energy: 1.9178295878222262
Energy: 1.8244558855611464
Energy: 1.9178295878215266
Energy: 1.8232664929724152
Energy: 2.2781328496566005
Energy: 2.3733456921739617
Energy: 2.2781328496566005
Energy: 1.8232664929731142
Energy: 2.278132849655901
Energy: 1.8859437551827924
Energy: 2.069278530719341
Energy: 1.9127610154722927
Energy: 2.069278530719341
Energy: 1.885943755182093
Energy: 2.0692785307207395
Energy: 1.8848809771289714
Energy: 2.074872678542742
Energy: 1.9126234575981202
Energy: 2.0748726785413436
Energy: 1.8848809771289714
Energy: 2.074872678542742
Energy: 1.8851785518103874
Energy: 2.159264772349679
Energy: 1.8028125012680019
Energy: 2.159264772350378
Energy: 1.8851785518103874
Energy: 2.159264772351077
Energy: 1.8849636865424697
Energy: 2.0325219409376594
Energy: 2.372544817127218
Energy: 2.0325219409376594
Energy: 1.8849636865424697
Energy: 2.0325219409376594
Energy: 2.0324466041941944
Energy: 2.299977855213254
Energy: 1.908084626578166
Energy: 2.299977855213953
Energy: 2.0324466041941944
Energy: 2.2999778552146526
Energy: 1.825127296757359
Energy: 1.8238880982912473
Energy: 2.095570511241075
Energy: 1.823888098290548
Energy: 1.825127296757359
Energy: 1.823888098290548
Energy: 2.4370388851501334
Energy: 1.9270827368784826
Energy: 1.7999068996395846
Energy: 1.9270827368784826
Energy: 2.4370388851501334
Energy: 1.9270827368784826
Energy: 2.362510360520673
Energy: 2.346893699231302
Energy: 1.9268634045864172
Energy: 2.3468936992327007
Energy: 2.362510360520673
Energy: 2.3468936992320018
Energy: 2.4369074410064337
Energy: 1.9171724550547493
Energy: 1.7933215274504735
Energy: 1.9171724550561478
Energy: 2.4369074410071327
Energy: 1.9171724550561478

minimum gb energy = 1.7929992469179699 eV
minimum distance =  2.40763229299132 Angstroms
sigma value = 67


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

Energy: 1.890142422865642
Energy: 1.88270309082347
Energy: 2.6038405369299706
Energy: 1.88270309082347
Energy: 1.8901424228666381
Energy: 1.8827030908224736
Energy: 2.490198874198813
Energy: 1.829750764420534
Energy: 1.818152578992078
Energy: 1.82975076442153
Energy: 2.4901988738870777
Energy: 1.829750764420534
Energy: 1.8409772709171321
Energy: 1.9294912097045727
Energy: 2.1531976994866446
Energy: 1.9294912097045727
Energy: 1.8409772709171321
Energy: 1.9294912097045727
Energy: 2.490335895223285
Energy: 2.300662361137424
Energy: 1.8209137538535494
Energy: 2.30066236113842
Energy: 2.490335895223285
Energy: 2.300662361137424
Energy: 1.816297189347608
Energy: 2.53098534498084
Energy: 2.497094086446889
Energy: 2.53098534498084
Energy: 1.816297189347608
Energy: 2.530985344979844
Energy: 1.8186439624245123
Energy: 2.341866399186353
Energy: 1.818036493058373
Energy: 2.3418663991873494
Energy: 1.8186439624245123
Energy: 2.341866399189342
Energy: 1.8409301126544306
Energy: 1.8320638436837346
Energy: 1.8377286012646878
Energy: 1.8320638436827386
Energy: 1.8409301126544306
Energy: 1.8320638436847312
Energy: 1.8314534269057705
Energy: 2.262868017640975
Energy: 2.4702845966173803
Energy: 2.262868017728658
Energy: 1.8314534269057705
Energy: 2.262868017862084
Energy: 1.8454879744920503
Energy: 2.1529948698925643
Energy: 2.4800977510895206
Energy: 2.1529948698925643
Energy: 1.8454879744920503
Energy: 2.152994869893561
Energy: 1.8535832667830576
Energy: 1.8320630570305376
Energy: 1.8495338219386601
Energy: 1.8320630570275482
Energy: 1.8535832667830576
Energy: 1.8320630570285448
Energy: 1.8288966042180694
Energy: 2.275651951315055
Energy: 1.8372108396995903
Energy: 2.275651951316051
Energy: 1.8288966042180694
Energy: 2.275651951315055
Energy: 1.8320606094384513
Energy: 1.9529990979024012
Energy: 1.8321183545634294
Energy: 1.9529990979014047
Energy: 1.8320606094384513
Energy: 1.9529990979024012
Energy: 1.837183714778579
Energy: 2.2751573829366647
Energy: 1.8289049195521294
Energy: 2.2751573829356686
Energy: 1.837183714778579
Energy: 2.2751573829356686
Energy: 1.8496166859558143
Energy: 1.8324812295908954
Energy: 1.8536117344420222
Energy: 1.832481229589899
Energy: 1.8496166859558143
Energy: 1.8324812295889028
Energy: 2.4800569189676347
Energy: 2.1523492827779562
Energy: 1.8452512939981869
Energy: 2.1523492996602873
Energy: 2.480056918968586
Energy: 2.1523493178871593
Energy: 2.4703535826669762
Energy: 2.263329353830596
Energy: 1.8305137491889656
Energy: 2.263329353830596
Energy: 2.4703535826669762
Energy: 2.263329353830596
Energy: 1.8374029098370996
Energy: 1.8323065253618003
Energy: 1.8128111577880757
Energy: 1.8323065253608042
Energy: 1.8374029098361035
Energy: 1.8323065253608042
Energy: 1.8177973401890168
Energy: 2.3425756764425447
Energy: 1.8262581895903618
Energy: 2.342575676441548
Energy: 1.8177973401880203
Energy: 2.3425756764425447
Energy: 2.4970913659334295
Energy: 2.5310260635335915
Energy: 1.8167909151272637
Energy: 2.531026063534588
Energy: 2.497091365932433
Energy: 2.5310260635335915
Energy: 1.8210098503599792
Energy: 2.300445331354223
Energy: 2.4903891451512337
Energy: 2.300445331354223
Energy: 1.8210098503599792
Energy: 2.300445331356216
Energy: 2.1534223092272406
Energy: 1.9294912097055692
Energy: 1.8383881422033939
Energy: 1.9294912097045727
Energy: 2.1534223092272406
Energy: 1.9294912097045727
Energy: 1.818131017839955
Energy: 1.8302673962664324
Energy: 2.4879106428357023
Energy: 1.8302673962644849
Energy: 1.818131017839955
Energy: 1.8302673962674285
Energy: 2.6038405369299706
Energy: 1.8827030908224736
Energy: 1.8901424228646455
Energy: 1.88270309082347
Energy: 2.6038405369299706
Energy: 1.88270309082347

minimum gb energy = 1.8128111577880757 eV
minimum distance =  2.46798926664852 Angstroms
sigma value = 33


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

Energy: 2.210727965754954
Energy: 1.8542315350316134
Energy: 2.5459411986356386
Energy: 1.8542315350316134
Energy: 2.210727965754954
Energy: 1.8542315350309815
Energy: 2.5507125141080627
Energy: 2.1970069339896208
Energy: 1.8094550792890143
Energy: 2.1970069339889884
Energy: 2.5507125141080627
Energy: 2.1970069339896208
Energy: 1.8107682662639704
Energy: 1.8919094802090297
Energy: 2.3699243487265518
Energy: 1.8919094802083978
Energy: 1.8107682662639704
Energy: 1.8919094802083978
Energy: 1.9006459864681189
Energy: 2.2368301317685426
Energy: 1.8309485153663263
Energy: 2.2368301317685426
Energy: 1.9006459864687508
Energy: 2.2368301317679102
Energy: 2.1509529381755357
Energy: 2.324679856785815
Energy: 2.110701324267355
Energy: 2.3246798567851825
Energy: 2.150952938172375
Energy: 2.324679856785815
Energy: 2.1384923859362193
Energy: 2.149793890072909
Energy: 1.8198216983911866
Energy: 2.149793890073541
Energy: 2.1384923859362193
Energy: 2.0715990778894655
Energy: 1.808117386940259
Energy: 1.826914622149147
Energy: 1.8314176722699067
Energy: 1.8269146221497792
Energy: 1.808117386940259
Energy: 1.8269146221497792
Energy: 1.8310563935061575
Energy: 2.308110156777066
Energy: 2.137213102752834
Energy: 2.308110156776434
Energy: 1.831056393505525
Energy: 2.308110156776434
Energy: 2.113976337558538
Energy: 2.1122575603459652
Energy: 2.1400648849346964
Energy: 2.1122575603459652
Energy: 2.113976337558538
Energy: 2.1122575603459652
Energy: 1.8280541793952694
Energy: 2.0253124623624847
Energy: 1.813241224028936
Energy: 2.1195869650322483
Energy: 1.8280541793952694
Energy: 2.0253124623624847
Energy: 1.8086822213156677
Energy: 2.2859873270215028
Energy: 1.8312471649066902
Energy: 2.2859873270215028
Energy: 1.8086822213156677
Energy: 2.2859873270221347
Energy: 1.808172150205431
Energy: 1.93505939932505
Energy: 2.524858276485253
Energy: 1.9350593993218894
Energy: 1.808172150206063
Energy: 1.9350593993244176
Energy: 2.1247411895507646
Energy: 2.33108691197791
Energy: 2.200105086589851
Energy: 2.33108691197791
Energy: 2.1247411895545576
Energy: 2.3310869119766453
Energy: 1.8094778613940148
Energy: 2.2403050391647135
Energy: 1.8172032955869437
Energy: 2.2403050391640815
Energy: 1.8094778613940148
Energy: 2.2403050391653454
Energy: 2.1102270177730684
Energy: 1.898336968221737
Energy: 1.8055733061257295
Energy: 1.898336968222369
Energy: 2.1102270177737
Energy: 1.8983369682211049
Energy: 1.8306991134825006
Energy: 2.1953496051959434
Energy: 2.449631145127708
Energy: 2.1953496051959434
Energy: 1.8306991134825006
Energy: 2.1953496051965753
Energy: 2.5468342460415894
Energy: 2.028012453969884
Energy: 2.1649034440713395
Energy: 2.0280124539717805
Energy: 2.5468342460415894
Energy: 2.0280124539736764
Energy: 1.8038435820196446
Energy: 1.8246491565514407
Energy: 2.4089484470724787
Energy: 1.8246491565508083
Energy: 1.8038435820190122
Energy: 1.8246491565508083
Energy: 2.1821170046866145
Energy: 1.8262484802461842
Energy: 1.8059916493643984
Energy: 1.8262484802461842
Energy: 2.1821170046866145
Energy: 1.8262484802468162
Energy: 2.176133443375754
Energy: 2.0276380818969906
Energy: 1.83271714169062
Energy: 2.0276380818868773
Energy: 2.176133443375754
Energy: 2.0276380818969906
Energy: 2.5205959063289356
Energy: 2.213959207515679
Energy: 1.8243015965294054
Energy: 2.2139592075150465
Energy: 2.5205959063289356
Energy: 2.2139592075150465
Energy: 1.806259234818225
Energy: 2.1773310477744277
Energy: 2.1102465398631494
Energy: 2.1773310477737953
Energy: 1.806259234818857
Energy: 2.1773310477737953
Energy: 1.8320081983775713
Energy: 2.287089843301607
Energy: 1.8036552742442267
Energy: 2.287089843301607
Energy: 1.8320081983782033
Energy: 2.287089843301607
Energy: 2.205350567260431
Energy: 2.379426080015852
Energy: 1.807438773571703
Energy: 2.3794260800145883
Energy: 2.205350567260431
Energy: 2.379426080015852
Energy: 2.50791870810431
Energy: 1.9370984889069915
Energy: 1.8076701608383392
Energy: 1.9370984889676728
Energy: 2.507918708104942
Energy: 1.937098489121788
Energy: 1.827770649008879
Energy: 2.281549798534281
Energy: 1.8081053512149017
Energy: 2.281549798534913
Energy: 1.8277706490076147
Energy: 2.281549798534281
Energy: 1.805387187197379
Energy: 2.17696215233283
Energy: 2.1137178758505675
Energy: 2.176962152333462
Energy: 1.8053871871967466
Energy: 2.176962152333462
Energy: 2.138418199405091
Energy: 2.1012424180848783
Energy: 1.8276820718579563
Energy: 2.1012424180836144
Energy: 2.1384181994044584
Energy: 2.1012424180785576
Energy: 2.1397495626689764
Energy: 2.308226890953049
Energy: 1.831613485629217
Energy: 2.308226890953681
Energy: 2.1397495626683445
Energy: 2.308226890953681
Energy: 1.8312745598338722
Energy: 1.8278509495246162
Energy: 1.8043219174195946
Energy: 1.8278509495252484
Energy: 1.8312745598326083
Energy: 1.8278509495246162
Energy: 1.8086039774959786
Energy: 2.0737248949573095
Energy: 2.520507907610729
Energy: 2.0737248949573095
Energy: 1.8086039774966107
Energy: 2.073724894957942
Energy: 2.112647979016515
Energy: 2.037527288313352
Energy: 2.1765350268301904
Energy: 2.037527288313984
Energy: 2.1126479790158834
Energy: 2.0375272883127202
Energy: 1.8279118385175233
Energy: 2.175233646117182
Energy: 2.222866566735596
Energy: 2.175233646117182
Energy: 1.8279118385175233
Energy: 2.1752336461184463
Energy: 2.391769548128872
Energy: 1.8919110724969852
Energy: 1.8123087460803726
Energy: 1.8919110724963533
Energy: 2.391769548129504
Energy: 1.8919110724969852
Energy: 1.8065611969397974
Energy: 2.1901102721025745
Energy: 2.3288468864086527
Energy: 2.1901102721032064
Energy: 1.8065611969404296
Energy: 2.1901102721025745
Energy: 2.1260256950442593
Energy: 2.0650760184000845
Energy: 2.222730833067179
Energy: 2.0650760184007164
Energy: 2.1260256950448917
Energy: 2.0650760184007164
Energy: 1.8043538406161561
Energy: 2.319150708556944
Energy: 2.5390216350178845
Energy: 2.3191507085367737
Energy: 1.8043538406155242
Energy: 2.319150708567057

minimum gb energy = 1.8036552742442267 eV
minimum distance =  2.37246047696735 Angstroms
sigma value = 41


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

Energy: 1.6920699523118354
Energy: 1.65416322982408
Energy: 2.7707468024207436
Energy: 1.6541632298309832
Energy: 1.6920699523118354
Energy: 1.6541632298568705
Energy: 2.5061475625352476
Energy: 1.6461769677669962
Energy: 1.645931790380368
Energy: 1.6461769677652704
Energy: 2.5061475625352476
Energy: 1.6461769677669962
Energy: 1.6926272096207031
Energy: 1.916621488046506
Energy: 1.6489288156794137
Energy: 1.9166214880482322
Energy: 1.6926272096207031
Energy: 1.9166214880482322
Energy: 2.4659394197927527
Energy: 1.648909815890568
Energy: 1.6459717966702712
Energy: 1.648909815892294
Energy: 2.4659394197927527
Energy: 1.648909815890568
Energy: 1.6898725226091567
Energy: 2.2531503689860837
Energy: 1.6498576738401467
Energy: 2.2531503689860837
Energy: 1.6898725226108824
Energy: 2.2531503689860837
Energy: 1.693553699843201
Energy: 1.7243194644929243
Energy: 1.6479934479805578
Energy: 1.7243194644911986
Energy: 1.693553699843201
Energy: 1.7243194644911986
Energy: 2.4619977835176816
Energy: 1.6468139815361142
Energy: 1.6537201037638318
Energy: 1.6468139815361142
Energy: 2.4619977835176816
Energy: 1.6468139815361142
Energy: 1.6946058401868584
Energy: 1.646941830707579
Energy: 1.6585743672940778
Energy: 1.6469418307127563
Energy: 1.6946058401868584
Energy: 1.6469418307093049
Energy: 2.362215464661515
Energy: 1.7228583292350306
Energy: 1.6467884288245511
Energy: 1.7228583292350306
Energy: 2.3622154646597893
Energy: 1.7228583292350306
Energy: 1.6949430685946618
Energy: 1.6476046430042264
Energy: 1.6470025226107947
Energy: 1.6476046430042264
Energy: 1.6949430685946618
Energy: 1.6476046430042264
Energy: 2.376536084117232
Energy: 1.6467691146288588
Energy: 1.6523712229306702
Energy: 1.6467691100713282
Energy: 2.376536084117232
Energy: 1.646769110245556
Energy: 1.6859344267397878
Energy: 1.9088004001148324
Energy: 2.4123140291145666
Energy: 1.908800400113107
Energy: 1.6859344267397878
Energy: 1.908800400113107
Energy: 2.377270879778058
Energy: 1.6466084064807716
Energy: 1.6524006031026182
Energy: 1.6466084064807716
Energy: 2.377270879778058
Energy: 1.6466084065101103
Energy: 1.6943569079966387
Energy: 1.647676977235613
Energy: 1.6463247663873637
Energy: 1.647676977235613
Energy: 1.6943569079966387
Energy: 1.647676977235613

minimum gb energy = 1.645931790380368 eV
minimum distance =  2.54566358523536 Angstroms
sigma value = 11


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

Energy: 2.3030188006960426
Energy: 1.9159483181403918
Energy: 2.4286986397565826
Energy: 1.915948318146422
Energy: 2.3030188006960426
Energy: 1.9159483181305361
Energy: 2.274966893288217
Energy: 2.440697425402413
Energy: 1.9013770240590622
Energy: 2.440697425402413
Energy: 2.274966893288217
Energy: 2.4406974254031715
Energy: 1.9044327342854497
Energy: 2.0679286490729716
Energy: 1.905430607335061
Energy: 2.0679286490729716
Energy: 1.9044327342854497
Energy: 2.067928649072213
Energy: 1.9229271875101346
Energy: 2.0323378991721586
Energy: 1.901444385093454
Energy: 2.0323378991721586
Energy: 1.9229271875101346
Energy: 2.0323378991729166
Energy: 2.1878483036098366
Energy: 2.161028150583352
Energy: 1.9288442183433634
Energy: 2.161028150582594
Energy: 2.1878483036098366
Energy: 2.161028150582594
Energy: 1.9519687268757215
Energy: 2.2037473298851626
Energy: 2.1804284714885536
Energy: 2.2037473298851626
Energy: 1.9519687268757215
Energy: 2.2037473298851626
Energy: 1.9235858154264656
Energy: 2.2090533601529523
Energy: 1.951249694472572
Energy: 2.2090533601529523
Energy: 1.9235858154264656
Energy: 2.20905336015371
Energy: 1.9050446367297247
Energy: 2.030947353434984
Energy: 2.0092501257249444
Energy: 2.030947353434226
Energy: 1.9050446367297247
Energy: 2.030947353434226
Energy: 2.1869278648145
Energy: 2.1250154478791954
Energy: 1.9010016476057772
Energy: 2.1250154478791954
Energy: 2.1869278648145
Energy: 2.125015447878437
Energy: 1.9028922992687132
Energy: 2.4437212173611593
Energy: 2.0423122607902258
Energy: 2.4437212173619174
Energy: 1.902892299289183
Energy: 2.4437212173611593
Energy: 2.212690331470699
Energy: 2.0031391976373776
Energy: 2.2421683787722175
Energy: 2.003139197638136
Energy: 2.212690331470699
Energy: 2.0031391976373776
Energy: 1.901284460854767
Energy: 2.2027879845361746
Energy: 2.218673707303192
Energy: 2.2027879845361746
Energy: 1.9012844608555255
Energy: 2.202787984534659
Energy: 1.9031927106900506
Energy: 2.248033344490056
Energy: 2.046701416640625
Energy: 2.248033344490056
Energy: 1.9031927106908084
Energy: 2.248033344490056
Energy: 1.922389856023584
Energy: 2.1249773825801856
Energy: 1.9299969517748385
Energy: 2.1249773825809437
Energy: 1.922389856023584
Energy: 2.1249773825809437
Energy: 1.9015162616858838
Energy: 2.3455109459146417
Energy: 2.118618956912448
Energy: 2.3455109459146417
Energy: 1.9015162616851258
Energy: 2.3455109459138836
Energy: 2.43692582059546
Energy: 2.435610890570794
Energy: 1.9924564494513746
Energy: 2.435610890571552
Energy: 2.43692582059546
Energy: 2.435610890570794
Energy: 1.951293040089176
Energy: 2.4326683804909925
Energy: 2.118529657086092
Energy: 2.4326683804909925
Energy: 1.951293040089176
Energy: 2.4326683804909925
Energy: 2.1907520328315644
Energy: 2.414834718237364
Energy: 1.9009095744046676
Energy: 2.414834718237364
Energy: 2.1907520328308063
Energy: 2.414834718237364
Energy: 1.9257615963312174
Energy: 1.927476860951708
Energy: 1.9237728916665489
Energy: 1.927476860953224
Energy: 1.9257615963312174
Energy: 1.927476860951708
Energy: 1.9046848918879469
Energy: 2.228189890198212
Energy: 1.9004337273830552
Energy: 2.228189890199728
Energy: 1.9046848918871886
Energy: 2.22818989019897
Energy: 2.215154884319692
Energy: 2.2021633202463673
Energy: 1.9018243472910608
Energy: 2.2021633202471254
Energy: 2.215154884319692
Energy: 2.2021633202471254
Energy: 2.231513476591623
Energy: 1.9185334526547362
Energy: 2.1585697719445314
Energy: 1.918533452656976
Energy: 2.2315134766644054
Energy: 1.9185334526547362
Energy: 2.0416942351679737
Energy: 2.440895521659417
Energy: 1.9425269346040737
Energy: 2.440895521659417
Energy: 2.0416942351687317
Energy: 2.4408955216586588
Energy: 1.9023431961679793
Energy: 2.1252147157624703
Energy: 2.255243184756699
Energy: 2.1252147157617127
Energy: 1.9023431961679793
Energy: 2.1252147157617127
Energy: 2.0103000766313683
Energy: 2.030954947901605
Energy: 1.902856362724166
Energy: 2.030954947901605
Energy: 2.0103000766313683
Energy: 2.030954947902363
Energy: 1.9523181744815221
Energy: 2.209143960903705
Energy: 1.9231826304373407
Energy: 2.209143960902947
Energy: 1.9523181744822802
Energy: 2.2091439609052217
Energy: 2.1813641158016392
Energy: 2.2038426999250067
Energy: 2.188743748933125
Energy: 2.2038426999250067
Energy: 2.1813641158016392
Energy: 2.2038426999250067
Energy: 1.9264766557499078
Energy: 2.160849249240345
Energy: 1.9517271865208703
Energy: 2.160849249238829
Energy: 1.9264766557491502
Energy: 2.160849249240345
Energy: 1.9038714119596984
Energy: 2.0320425741697146
Energy: 1.922740173569945
Energy: 2.0320425741697146
Energy: 1.9038714119596984
Energy: 2.0320425741697146
Energy: 1.9069967461654869
Energy: 2.2138734452345803
Energy: 1.9041179008304516
Energy: 2.2138734452353384
Energy: 1.9069967461662451
Energy: 2.2138734452353384
Energy: 1.900289360369801
Energy: 2.441624763603132
Energy: 2.2572608022737546
Energy: 2.441624763602373
Energy: 1.900289360369801
Energy: 2.441624763602373

minimum gb energy = 1.900289360369801 eV
minimum distance =  2.4212646144506 Angstroms
sigma value = 57


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

Energy: 1.9961131934255436
Energy: 2.130254136434568
Energy: 2.1141472750086963
Energy: 2.130254136434568
Energy: 1.9961131934241945
Energy: 2.130254136434568
Energy: 1.933257234629808
Energy: 2.0849249245867427
Energy: 1.9129457304222697
Energy: 2.0849249245867427
Energy: 1.933257234629808
Energy: 2.1067827213682406
Energy: 1.9134338415756202
Energy: 2.086476110355676
Energy: 1.9137971991966702
Energy: 2.086476110355676
Energy: 1.9134338415756202
Energy: 2.086476110355676
Energy: 1.9147883736038493
Energy: 2.347269743926357
Energy: 1.9135122493886192
Energy: 2.3437285429203922
Energy: 1.9147883736038493
Energy: 2.1092948846869537
Energy: 1.9137512722220342
Energy: 2.086397049684992
Energy: 1.912933685314984
Energy: 2.086397049684992
Energy: 1.9137512722220342
Energy: 2.086397049684992
Energy: 1.9131152343767064
Energy: 2.106765579102125
Energy: 1.9334007901955363
Energy: 2.106765579102125
Energy: 1.9131152343753575
Energy: 2.106765579102125
Energy: 2.114147275005998
Energy: 2.130254136434568
Energy: 1.9961131934255436
Energy: 2.130254136434568
Energy: 2.114147275005998
Energy: 2.130254136434568
Energy: 1.9129457304236186
Energy: 2.1067827213682406
Energy: 1.933257234629808
Energy: 2.1067827213682406
Energy: 1.9129457304222697
Energy: 2.152483049298998
Energy: 1.9137971991966702
Energy: 2.086476110355676
Energy: 1.9134338415769694
Energy: 2.086476110355676
Energy: 1.9137971991966702
Energy: 2.086476110355676
Energy: 1.9135122493886192
Energy: 2.347269743927706
Energy: 1.9147883736038493
Energy: 2.1092948846869537
Energy: 1.9135122493886192
Energy: 2.423573962045814
Energy: 1.9129336853122854
Energy: 2.086397049684992
Energy: 1.9137512722220342
Energy: 2.086397049683643
Energy: 1.9129336853122854
Energy: 2.086397049684992
Energy: 1.9334007901955363
Energy: 2.106765579102125
Energy: 1.9131152343767064
Energy: 2.106765579102125
Energy: 1.9334007901955363
Energy: 2.106765579102125
Energy: 1.9961131934255436
Energy: 2.130254136434568
Energy: 2.3719733320281793
Energy: 2.130254136434568
Energy: 1.9961131934255436
Energy: 2.130254136434568
Energy: 1.933257234629808
Energy: 2.1067827213682406
Energy: 1.9129457304236186
Energy: 2.1067827213682406
Energy: 1.933257234629808
Energy: 2.1067827213682406
Energy: 1.9134338415756202
Energy: 2.086476110355676
Energy: 1.9137971991966702
Energy: 2.086476110355676
Energy: 1.9134338415769694
Energy: 2.086476110355676
Energy: 1.9147883736051985
Energy: 2.1092948846869537
Energy: 1.9135122493886192
Energy: 2.1092948846869537
Energy: 1.9147883736051985
Energy: 2.1092948846869537
Energy: 1.9137512722220342
Energy: 2.086397049684992
Energy: 1.912933685313635
Energy: 2.086397049684992
Energy: 1.9137512722220342
Energy: 2.086397049684992

minimum gb energy = 1.9129336853122854 eV
minimum distance =  2.4518433540116 Angstroms
sigma value = 9


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

Energy: 2.1803503571654095
Energy: 2.351318114682234
Energy: 2.089327673699381
Energy: 2.351318114684437
Energy: 2.180350357166511
Energy: 2.351318114684437
Energy: 2.0802358140265462
Energy: 2.2614257967098133
Energy: 1.989098430354937
Energy: 2.2614257967098133
Energy: 2.080235814025445
Energy: 2.26142579670761
Energy: 1.9872383817723873
Energy: 2.0804543190895135
Energy: 1.9910401436312286
Energy: 2.080454319088412
Energy: 1.9872383817734889
Energy: 2.0804543190895135
Energy: 2.012583621924597
Energy: 2.0759630710553663
Energy: 2.085476409085362
Energy: 2.075963071056467
Energy: 2.0125836219256987
Energy: 2.0759630710553663
Energy: 2.090996737817813
Energy: 2.310564055970763
Energy: 1.990962528236732
Energy: 2.3105640559696616
Energy: 2.090996737817813
Energy: 2.3105640559696616
Energy: 2.0128826030826965
Energy: 2.0757878722836436
Energy: 2.0804937608722467
Energy: 2.0757878722836436
Energy: 2.012882603083798
Energy: 2.0757878722836436
Energy: 2.012814027117809
Energy: 2.22045016902373
Energy: 1.9927092009327472
Energy: 2.220450169027035
Energy: 2.0128140271189108
Energy: 2.220450169027035
Energy: 2.0886639628800587
Energy: 2.2425372718846224
Energy: 1.9893566493771488
Energy: 2.2425372718868255
Energy: 2.0886639628800587
Energy: 2.2425372718868255
Energy: 2.0857386226721344
Energy: 2.230084211775064
Energy: 2.095434806305782
Energy: 2.2300842118235327
Energy: 2.085738622673236
Energy: 2.230084211807009
Energy: 2.096063146939811
Energy: 2.1191744034100397
Energy: 2.0212132229803252
Energy: 2.1191744034089384
Energy: 2.096063146939811
Energy: 2.1191744034408333
Energy: 1.988786970004725
Energy: 2.0821869563571296
Energy: 2.0854348864806442
Energy: 2.082186956358231
Energy: 1.988786970004725
Energy: 2.0821869563571296
Energy: 1.9857281925453039
Energy: 2.08081035437726
Energy: 2.0891583572503034
Energy: 2.0808103543783623
Energy: 1.985728192544202
Energy: 2.0808103543783623
Energy: 1.9894465624320203
Energy: 2.0588759597010453
Energy: 2.036174371266026
Energy: 2.0588759597010453
Energy: 1.9894465624309186
Energy: 2.0588759597010453
Energy: 1.9858690483717016
Energy: 2.177800900734857
Energy: 2.090082005138853
Energy: 2.1778009007337555
Energy: 1.9858690483706
Energy: 2.1778009007337555
Energy: 2.090023118233706
Energy: 2.121817760671752
Energy: 2.037494128311897
Energy: 2.1218177606706505
Energy: 2.090023118233706
Energy: 2.121817760671752
Energy: 2.085529052506821
Energy: 2.2298545879036875
Energy: 2.0885424796181065
Energy: 2.229854587904789
Energy: 2.085529052507922
Energy: 2.2298545879036875
Energy: 2.085161756293157
Energy: 2.2341134910733333
Energy: 2.0322491305018637
Energy: 2.2341134910722316
Energy: 2.085161756293157
Energy: 2.2341134910744347
Energy: 2.2017081085158865
Energy: 2.337153870475836
Energy: 2.021757160824618
Energy: 2.3371538704747348
Energy: 2.201708108514785
Energy: 2.3371538704747348
Energy: 1.989744092638401
Energy: 2.17656464622227
Energy: 2.1203892919152647
Energy: 2.176564646221168
Energy: 1.989744092638401
Energy: 2.176564646221168
Energy: 1.9854246645543088
Energy: 2.187379676240379
Energy: 2.02165426969428
Energy: 2.187379676240379
Energy: 1.9854246645532072
Energy: 2.187379676240379
Energy: 1.9902386567148083
Energy: 2.077311501932824
Energy: 2.085779544030551
Energy: 2.0773115019317228
Energy: 1.9902386567148083
Energy: 2.0773115019317228

minimum gb energy = 1.9854246645532072 eV
minimum distance =  2.46868299176875 Angstroms
sigma value = 27


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

Energy: 2.239835290151835
Energy: 2.0762833683235407
Energy: 2.1276830838097607
Energy: 2.0762833683207544
Energy: 2.239835290151835
Energy: 2.0762833683207544
Energy: 2.112421570012656
Energy: 2.2593150659407937
Energy: 2.045699658301269
Energy: 2.2593150659426504
Energy: 2.112421570012656
Energy: 2.2593150659426504
Energy: 2.026095614244675
Energy: 2.0333068433330137
Energy: 2.0447286451425493
Energy: 2.0333068433320847
Energy: 2.0260956142456035
Energy: 2.0333068433320847
Energy: 2.052891660430749
Energy: 2.182448517500714
Energy: 2.075509296881512
Energy: 2.182448517502571
Energy: 2.0528916604298204
Energy: 2.182448517502571
Energy: 1.991385016646438
Energy: 2.304255431057017
Energy: 1.9981128142646176
Energy: 2.304255431057017
Energy: 1.991385016646438
Energy: 2.304255431057017
Energy: 2.032330066946825
Energy: 2.0605783197808085
Energy: 2.013118764792067
Energy: 2.06057831977988
Energy: 2.0323300669477535
Energy: 2.0605783197808085
Energy: 2.0081068369589157
Energy: 2.1469318371046664
Energy: 2.0341840131732627
Energy: 2.146931837105595
Energy: 2.0081068369589157
Energy: 2.146931837105595
Energy: 2.0787018271513875
Energy: 2.182744131023636
Energy: 2.033474478050101
Energy: 2.1827441310227074
Energy: 2.0787018271513875
Energy: 2.1827441310227074
Energy: 2.129471017126907
Energy: 2.2066162444891857
Energy: 2.1273524653571547
Energy: 2.206616244488257
Energy: 2.129471017126907
Energy: 2.206616244488257
Energy: 2.048182370729458
Energy: 2.2886330869898517
Energy: 2.0831876588866014
Energy: 2.2886330869898517
Energy: 2.048182370729458
Energy: 2.2886330869898517
Energy: 2.0458465870732137
Energy: 2.006558321133631
Energy: 2.083298087753093
Energy: 2.0065583211345595
Energy: 2.0458465870722855
Energy: 2.0065583211345595
Energy: 2.1295636811270766
Energy: 2.206795625135704
Energy: 2.0571446705347927
Energy: 2.206795625134776
Energy: 2.1295636811270766
Energy: 2.206795625134776
Energy: 2.0473986264522908
Energy: 2.371005930657837
Energy: 2.033812726544841
Energy: 2.3710059306559796
Energy: 2.0473986264522908
Energy: 2.3710059306569082
Energy: 2.00707278714516
Energy: 2.133062474879258
Energy: 2.033206092006603
Energy: 2.133062474880186
Energy: 2.00707278714516
Energy: 2.133062474880186
Energy: 2.0408191599759666
Energy: 2.013495832548526
Energy: 2.0121068208653865
Energy: 2.0134958325475973
Energy: 2.0408191599768952
Energy: 2.0134958325475973
Energy: 2.0452829493304887
Energy: 2.304255431057017
Energy: 1.9984790861446602
Energy: 2.304255431057017
Energy: 2.0452829493304887
Energy: 2.304255431057017
Energy: 2.052740527482423
Energy: 2.182472536000433
Energy: 1.9902859120490817
Energy: 2.182472536000433
Energy: 2.0527405274833517
Energy: 2.182472536000433
Energy: 2.03064523899457
Energy: 2.0264306926525535
Energy: 2.0453390477479623
Energy: 2.0264306926525535
Energy: 2.03064523899457
Energy: 2.026430692653482
Energy: 2.088856799891206
Energy: 2.0521588383310836
Energy: 2.044641721611511
Energy: 2.052158838332012
Energy: 2.088856799891206
Energy: 2.052158838329227
Energy: 2.239835290151835
Energy: 2.0762833683207544
Energy: 2.156087184081541
Energy: 2.0762833683216835
Energy: 2.2398352901527634
Energy: 2.0762833683207544
Energy: 2.112421570012656
Energy: 2.2593150659417223
Energy: 2.045699658301269
Energy: 2.2593150659426504
Energy: 2.112421570012656
Energy: 2.2593150659417223
Energy: 2.0260956142456035
Energy: 2.0333068433330137
Energy: 2.0447286451425493
Energy: 2.0333068433320847
Energy: 2.0260956142456035
Energy: 2.0333068433320847
Energy: 2.0528916604298204
Energy: 2.182448517500714
Energy: 2.075509296881512
Energy: 2.182448517502571
Energy: 2.0528916604298204
Energy: 2.182448517502571
Energy: 1.991385016646438
Energy: 2.304255431057017
Energy: 1.9981128142636888
Energy: 2.3042554310579457
Energy: 1.991385016646438
Energy: 2.3042554310579457
Energy: 2.0323300669477535
Energy: 2.06057831977988
Energy: 2.013118764792067
Energy: 2.0605783197808085
Energy: 2.0323300669477535
Energy: 2.0605783197808085

minimum gb energy = 1.9902859120490817 eV
minimum distance =  2.42008716698208 Angstroms
sigma value = 19


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

Energy: 2.148598242920262
Energy: 1.9187865075019002
Energy: 2.1724138861725857
Energy: 1.918786507499496
Energy: 2.148598242918659
Energy: 1.9187865075002972
Energy: 2.0060447420727145
Energy: 2.092396759184956
Energy: 1.9321636362000374
Energy: 2.0923967591841546
Energy: 2.0060447420727145
Energy: 2.092396759184956
Energy: 1.9240430333131529
Energy: 2.1344267227875378
Energy: 1.9321416608826207
Energy: 2.1344267227875378
Energy: 1.9240430333131529
Energy: 2.1344267227875378
Energy: 1.9734911025278161
Energy: 2.105329730861374
Energy: 1.9505739265577153
Energy: 2.105329730861374
Energy: 1.9734911025278161
Energy: 2.105329730861374
Energy: 1.9188504387380496
Energy: 2.163419103597346
Energy: 1.9233757954789952
Energy: 2.163419103595743
Energy: 1.9188504387380496
Energy: 2.163419103595743
Energy: 1.9525949714560826
Energy: 2.12468636681611
Energy: 1.9206211314291475
Energy: 2.1246863668169116
Energy: 1.9525949714560826
Energy: 2.1246863668169116
Energy: 1.971925078670224
Energy: 2.182866395923948
Energy: 1.9234822521304877
Energy: 2.1828663959247496
Energy: 1.971925078670224
Energy: 2.1828663959247496
Energy: 1.933221546640891
Energy: 2.092051576051927
Energy: 1.920702745714113
Energy: 2.092051576051927
Energy: 1.933221546640891
Energy: 2.0920515760527287
Energy: 1.918768902580466
Energy: 2.13569694277303
Energy: 2.05328018519745
Energy: 2.13569694277303
Energy: 1.918768902580466
Energy: 2.13569694277303
Energy: 1.9190301437368347
Energy: 2.137670087175221
Energy: 1.932342369181273
Energy: 2.137670087175221
Energy: 1.9190301437376363
Energy: 2.137670087175221
Energy: 1.9341673229863776
Energy: 2.1318796595938343
Energy: 1.924464047776791
Energy: 2.1318796595922316
Energy: 1.9341673229863776
Energy: 2.131879659593033
Energy: 1.9180795244555067
Energy: 2.2193335806700194
Energy: 1.866147897308922
Energy: 2.2193335806700194
Energy: 1.9180795244555067
Energy: 2.2193335806700194
Energy: 1.9184443431914628
Energy: 1.8657063109204224
Energy: 1.9324825121751728
Energy: 1.865706310919621
Energy: 1.9184443431914628
Energy: 1.865706310919621
Energy: 1.8990087542089158
Energy: 2.131748465274671
Energy: 2.0566226504994196
Energy: 2.1317484652738696
Energy: 1.8990087542081142
Energy: 2.131748465274671
Energy: 1.9214717338586014
Energy: 2.1044244275713364
Energy: 1.93526299660645
Energy: 2.1044244275697332
Energy: 1.9214717338586014
Energy: 2.1044244275697332
Energy: 1.9187845358034321
Energy: 2.091559770939605
Energy: 1.9389171914621635
Energy: 2.091559770939605
Energy: 1.9187845358042335
Energy: 2.0915597709404063
Energy: 1.9887815072871156
Energy: 2.093939783319099
Energy: 1.9376668842635858
Energy: 2.0939397833199007
Energy: 1.9887815072871156
Energy: 2.0939397833199007
Energy: 1.919011215937744
Energy: 2.2269138790534737
Energy: 1.9329745623896748
Energy: 2.2269138790518705
Energy: 1.9190112159369423
Energy: 2.2269138790518705
Energy: 1.9524509054927293
Energy: 2.0936240481777273
Energy: 1.9376875664056887
Energy: 2.0936240481793305
Energy: 1.9524509054927293
Energy: 2.0936240481793305
Energy: 1.9188216468242199
Energy: 2.091531793053245
Energy: 1.9391657242935452
Energy: 2.0915317930524435
Energy: 1.9188216468242199
Energy: 2.091531793053245
Energy: 1.9213837713816817
Energy: 2.1045276511639925
Energy: 1.9347916838264694
Energy: 2.1045276511623894
Energy: 1.9213837713816817
Energy: 2.1045276511623894
Energy: 1.8991793453775299
Energy: 2.131766503724444
Energy: 2.056674021400775
Energy: 2.1317665037260474
Energy: 1.8991793453783312
Energy: 2.1317665037260474
Energy: 1.9183052614638965
Energy: 1.8653165995173946
Energy: 1.9324660171422074
Energy: 1.8653165995181962
Energy: 1.9183052614638965
Energy: 1.8653165995189975
Energy: 1.9202794312244078
Energy: 2.2173295919669265
Energy: 1.866942778434183
Energy: 2.217329591967728
Energy: 1.9202794312244078
Energy: 2.217329591967728
Energy: 1.9339148233326833
Energy: 2.1319302699903595
Energy: 2.019129053494538
Energy: 2.1319302699919627
Energy: 1.9339148233326833
Energy: 2.1319302699919627
Energy: 1.9191555537646334
Energy: 2.1381784205679115
Energy: 1.9323654810827915
Energy: 2.138178420568713
Energy: 1.919155553765435
Energy: 2.138178420568713
Energy: 1.9188888506788058
Energy: 2.13630493276674
Energy: 2.0146544755360614
Energy: 2.13630493276674
Energy: 1.9188888506788058
Energy: 2.13630493276674
Energy: 1.93362048598151
Energy: 2.092057091403947
Energy: 1.9205588353469485
Energy: 2.0920570914031456
Energy: 1.9336204859807087
Energy: 2.092057091402344
Energy: 1.971539110850549
Energy: 2.1828663959255508
Energy: 1.9236942989255308
Energy: 2.1828663959255508
Energy: 1.9715391108513505
Energy: 2.182866395926353

minimum gb energy = 1.8653165995173946 eV
minimum distance =  2.4439466043042 Angstroms
sigma value = 101


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

Energy: 2.0223806406145406
Energy: 2.1876007082100055
Energy: 2.096852407471365
Energy: 2.1876007082100055
Energy: 2.0223806406145406
Energy: 2.1876007082100055
Energy: 1.8403774710689993
Energy: 2.0382957594911053
Energy: 1.8978907994999585
Energy: 2.0382957594911053
Energy: 1.8403774710697038
Energy: 2.0382957594911053
Energy: 1.8328126522371706
Energy: 2.092976977977938
Energy: 1.8946986472366443
Energy: 2.0929769779786422
Energy: 1.8328126522371706
Energy: 2.092976977977938
Energy: 1.8392648014786308
Energy: 2.064507336345346
Energy: 1.883774243682789
Energy: 2.064507336345346
Energy: 1.8392648014779263
Energy: 2.1164284119060226
Energy: 1.8399463644256058
Energy: 2.133483240571675
Energy: 1.8392201761818567
Energy: 2.133483240571675
Energy: 1.8399463644256058
Energy: 2.133483240571675
Energy: 1.8361071077522915
Energy: 2.0427811886484366
Energy: 1.8480557151296557
Energy: 2.0427811886484366
Energy: 1.8361071077522915
Energy: 2.0427811886484366
Energy: 1.8386267439627704
Energy: 2.094597386695162
Energy: 1.8236085436399678
Energy: 2.0945973866958667
Energy: 1.838626743962066
Energy: 2.094597386695162
Energy: 1.8468731723811886
Energy: 2.0878387066361475
Energy: 1.8444309187786003
Energy: 2.096081344098523
Energy: 1.8468731723811886
Energy: 2.065190876465248
Energy: 1.8399772974252997
Energy: 2.042044091005279
Energy: 1.8332502155501076
Energy: 2.042044091005279
Energy: 1.839977297424595
Energy: 2.042044091005279
Energy: 1.8424398130904331
Energy: 2.098981453139545
Energy: 1.825065952399905
Energy: 2.098981453139545
Energy: 1.8424398130904331
Energy: 2.098981453139545
Energy: 1.9150707050816278
Energy: 2.0374823131139967
Energy: 1.91632488176222
Energy: 2.0374823131139967
Energy: 1.9150707050823323
Energy: 2.0374823131132924
Energy: 1.8977445016187382
Energy: 2.094347537057731
Energy: 1.8397360068644453
Energy: 2.094347537057731
Energy: 1.8977445016180334
Energy: 2.094347537057731
Energy: 1.8949378498709462
Energy: 2.109668149323413
Energy: 1.8690946277662168
Energy: 2.109668149323413
Energy: 1.8949378498716511
Energy: 2.1096681493227085
Energy: 1.8838092231822945
Energy: 1.9685107053895643
Energy: 1.838284206195943
Energy: 1.8573564704194203
Energy: 1.8838092231815897
Energy: 1.9685107053937916
Energy: 1.8336304533909547
Energy: 1.8075990954229875
Energy: 1.838392389404311
Energy: 1.8075990954229875
Energy: 1.8336304533909547
Energy: 1.8075990954222827
Energy: 1.8943784496746496
Energy: 2.1219166993474974
Energy: 1.8368593642695699
Energy: 2.1219166993474974
Energy: 1.8943784496746496
Energy: 2.1219166993474974
Energy: 1.8234666550860474
Energy: 2.116509899037682
Energy: 1.8403567663437834
Energy: 2.116509899037682
Energy: 1.8234666550867518
Energy: 2.116509899037682
Energy: 1.843708964343667
Energy: 2.0418384742367865
Energy: 1.8423858263748145
Energy: 2.0418384742367865
Energy: 1.843708964343667
Energy: 2.0418384742367865
Energy: 1.870224208462057
Energy: 2.0436745600790536
Energy: 1.8340013566653761
Energy: 2.0436745600790536
Energy: 1.870224208462057
Energy: 2.0436745600790536
Energy: 1.825938462559198
Energy: 2.1787326404043967
Energy: 1.8421402217609355
Energy: 2.1787326404051015
Energy: 1.8259384625599027
Energy: 2.1787326404051015
Energy: 1.8751863985015724
Energy: 1.8759565739315194
Energy: 1.8447359610968266
Energy: 1.8759565739308144
Energy: 1.875186398500868
Energy: 1.8759565739308144
Energy: 1.8244996622293377
Energy: 2.044270870260802
Energy: 1.8419230848486898
Energy: 2.044270870260802
Energy: 1.8244996622293377
Energy: 2.044270870260802
Energy: 1.8389340422645621
Energy: 2.030123823097557
Energy: 1.8403218695146892
Energy: 2.0301238230968526
Energy: 1.8389340422645621
Energy: 2.0301238230968526
Energy: 1.8391588549554658
Energy: 2.100718062590652
Energy: 1.920028438868114
Energy: 2.0743261258484234
Energy: 1.8391588549554658
Energy: 2.096844405528994
Energy: 1.8400710273505658
Energy: 2.0605105931393273
Energy: 1.8441884595469553
Energy: 2.0605105931393273
Energy: 1.8400710273505658
Energy: 2.0605105931386225
Energy: 1.869676767411408
Energy: 2.1212622740165523
Energy: 1.8942530966858662
Energy: 2.1212622740165523
Energy: 1.869676767411408
Energy: 2.1212622740158475
Energy: 1.837934248635663
Energy: 1.8080361006113372
Energy: 1.8066430757796854
Energy: 1.808036100612042
Energy: 1.8379342486342536
Energy: 1.8080361006127463
Energy: 1.8377751536602251
Energy: 1.8081239856569655
Energy: 1.8092513864126625
Energy: 1.80812398565767
Energy: 1.8377751536609295
Energy: 1.8081239856583746
Energy: 1.9728989761782352
Energy: 2.1427751245866333
Energy: 1.971507435105308
Energy: 2.1427751245866333
Energy: 1.9728989761782352
Energy: 2.1427751245866333
Energy: 1.8423750087544117
Energy: 2.0236201349917167
Energy: 1.8089042473219923
Energy: 2.0236201349917167
Energy: 1.8423750087544117
Energy: 2.0236201349917167
Energy: 1.8394065869384413
Energy: 2.0984619137481118
Energy: 1.8387986837138217
Energy: 2.098461913747407
Energy: 1.8394065869391458
Energy: 2.0984619137481118
Energy: 1.8697564656113677
Energy: 2.031761953201649
Energy: 1.8473125961974959
Energy: 2.0317619532023534
Energy: 1.8697564656113677
Energy: 2.031761953201649
Energy: 1.8401197911317921
Energy: 2.1788380014895528
Energy: 1.8443417946918748
Energy: 2.178838001485325
Energy: 1.8401197911317921
Energy: 2.1788380014874384

minimum gb energy = 1.8066430757796854 eV
minimum distance =  2.44543674820365 Angstroms
sigma value = 33


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

Energy: 0.01968987524469197
Energy: 0.020004223059040774
Energy: 12.105808555603527
Energy: 0.020004223059040774
Energy: 0.01968987524469197
Energy: 0.020004223059040774
Energy: 0.019951681660788662
Energy: 1.0330412686502133
Energy: 0.019951681660788662
Energy: 1.0330412686502133
Energy: 0.019951681660788662
Energy: 1.0330412686502133
Energy: 7.357687443271264
Energy: 0.020004223059040774
Energy: 0.01968987524469197
Energy: 0.020004223058455384
Energy: 29.188478787423087
Energy: 0.020004223059040774
Energy: 0.019951681660788662
Energy: 1.0330412686496278
Energy: 0.019951681660788662
Energy: 1.0330412686496278
Energy: 0.019951681660788662
Energy: 1.0330412686502133

minimum gb energy = 0.01968987524469197 eV
minimum distance =  2.69846477725327 Angstroms
sigma value = 1