Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_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=3.146558970212937
cohesive_energy=6.810535640519527
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: 0.017407064814797632
Energy: 0.0186828565022792
Energy: 1.4262789832914562
Energy: 0.0186828565022792
Energy: 0.017407064814797632
Energy: 0.018682856502647144
Energy: 0.018682856502647144
Energy: 22.82348612700769
Energy: 0.0186828565022792
Energy: 22.82345308162816
Energy: 0.018682856502647144
Energy: 22.564321084963694
Energy: 1.4262789832914562
Energy: 0.0186828565022792
Energy: 0.017407064814015757
Energy: 0.0186828565022792
Energy: 1.426278983291824
Energy: 0.018682856502647144
Energy: 0.018682856502647144
Energy: 22.823446098204954
Energy: 0.0186828565022792
Energy: 22.388847360424553
Energy: 0.018682856502647144
Energy: 22.823416490827665
Energy: 0.017407064814429694
Energy: 0.018682856502647144
Energy: 1.4262789832914562
Energy: 0.01868285650306108
Energy: 0.017407064814797632
Energy: 0.0186828565022792
Energy: 0.0186828565022792
Energy: 22.388183711671147
Energy: 0.0186828565022792
Energy: 22.823403723752453
Energy: 0.018682856502647144
Energy: 22.526114633984747

minimum gb energy = 0.017407064814015757 eV
minimum distance =  1.62369065981664 Angstroms
sigma value = 1


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

Energy: 1.94445417172371
Energy: 1.98673003983947
Energy: 2.134385713099931
Energy: 1.986730039841463
Energy: 1.944454171722714
Energy: 1.986730039841463
Energy: 1.9947413764214128
Energy: 1.968235730294309
Energy: 1.8952536753934028
Energy: 1.968235730294309
Energy: 1.9947413764214128
Energy: 1.968235730294309
Energy: 2.0306425951214413
Energy: 1.965883565783973
Energy: 1.9042364587777296
Energy: 1.965883565783973
Energy: 2.0306425951214413
Energy: 1.965883565783973
Energy: 2.023997788145091
Energy: 1.9041884167328562
Energy: 2.019411817997216
Energy: 1.9041884167328562
Energy: 2.0239977881460876
Energy: 1.9041884167338523
Energy: 1.9926009842685688
Energy: 1.9915603102138428
Energy: 1.9821001029729426
Energy: 1.9915603102138428
Energy: 1.992600984266576
Energy: 1.9915603102138428
Energy: 1.896582967641745
Energy: 1.96625420311275
Energy: 2.031995446824014
Energy: 1.966254203113746
Energy: 1.8965829676437376
Energy: 1.966254203113746
Energy: 1.895465502539302
Energy: 1.9676855912445093
Energy: 2.0369555940041852
Energy: 1.9676855912445093
Energy: 1.8954655024516647
Energy: 1.9676855912445093
Energy: 1.9808780978666207
Energy: 1.9930024020467605
Energy: 2.0125662786100005
Energy: 1.9930024020467605
Energy: 1.9808780978755884
Energy: 1.9930024020477572
Energy: 1.951786022889748
Energy: 1.894630754160508
Energy: 2.0138951673610928
Energy: 1.8946307541625007
Energy: 1.9517860229006627
Energy: 1.8946307541625007
Energy: 1.8990946929217767
Energy: 1.9660326315419836
Energy: 2.032821703464923
Energy: 1.9660326315419836
Energy: 1.8990946929217767
Energy: 1.9660326315419836
Energy: 1.974470069588727
Energy: 1.9690433252767263
Energy: 1.9633154688105554
Energy: 1.9690433252737372
Energy: 1.9744700681824545
Energy: 1.9690433252747337
Energy: 2.022843379669148
Energy: 1.9890484915943423
Energy: 2.010235785973493
Energy: 1.9890484915943423
Energy: 2.0228433796701446
Energy: 1.9890484915943423
Energy: 1.899120987502094
Energy: 1.9690433252717445
Energy: 2.025943885616886
Energy: 1.9690433252717445
Energy: 1.8991209874901371
Energy: 1.9690433252727406
Energy: 2.032842123873619
Energy: 1.9659995019153134
Energy: 1.8990826774647267
Energy: 1.9659995019143168
Energy: 2.032842123874615
Energy: 1.9659995019143168
Energy: 2.0145344184351437
Energy: 1.8950270515248269
Energy: 1.967904963335124
Energy: 1.895027051525823
Energy: 2.0145344184361402
Energy: 1.8950270515248269
Energy: 2.0120653344899404
Energy: 1.9981066546353656
Energy: 1.9803648218979792
Energy: 1.9981066546353656
Energy: 2.0120653344899404
Energy: 1.9981066546353656
Energy: 2.0369548276673446
Energy: 1.9678442397249303
Energy: 1.924586365446669
Energy: 1.9678442397249303
Energy: 2.0369548276683407
Energy: 1.9678442397249303
Energy: 2.0321002471134233
Energy: 1.9656738372653684
Energy: 1.933156019055967
Energy: 1.9656738372643723
Energy: 2.0321002471144194
Energy: 1.9656738372653684
Energy: 1.962469258983933
Energy: 1.991568059075356
Energy: 1.9958671185982606
Energy: 1.991568059075356
Energy: 1.9624692589789963
Energy: 1.991568059076352
Energy: 2.011998689230204
Energy: 1.9042691473158873
Energy: 1.9502256295808154
Energy: 1.9042691473148907
Energy: 2.011998689227215
Energy: 1.9042691473148907
Energy: 1.908836024643997
Energy: 1.9655665267254705
Energy: 2.0303842951279325
Energy: 1.9655665267244744
Energy: 1.9088360246459901
Energy: 1.9655665267244744
Energy: 1.9310259377768093
Energy: 1.9682287363321376
Energy: 2.0008718642909105
Energy: 1.9682287363321376
Energy: 1.9310259377130854
Energy: 1.9682287363321376
Energy: 2.0872887282239123
Energy: 1.9867300398404664
Energy: 1.9444541717217174
Energy: 1.986730039841463
Energy: 2.0872887282149453
Energy: 1.986730039841463

minimum gb energy = 1.894630754160508 eV
minimum distance =  2.44189418339114 Angstroms
sigma value = 33


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

Energy: 2.3995315571170934
Energy: 2.0511918047917694
Energy: 2.1366707049225533
Energy: 2.051191804792336
Energy: 2.3995315571165263
Energy: 2.0511918047917694
Energy: 2.168789466280012
Energy: 2.0115646708195922
Energy: 2.1757761436399408
Energy: 2.011564670820726
Energy: 2.1687894662794456
Energy: 2.011564670820726
Energy: 2.085191410267051
Energy: 2.045855562421458
Energy: 2.042270127947255
Energy: 2.0458555624208907
Energy: 2.085191410267051
Energy: 2.0458555624208907
Energy: 2.0600279962958488
Energy: 1.9812896122815333
Energy: 2.0676275972613474
Energy: 1.9812896122815333
Energy: 2.0600279962958488
Energy: 1.9812896122815333
Energy: 2.067484937434284
Energy: 2.0107362510250772
Energy: 2.034934827927119
Energy: 2.010736251025644
Energy: 2.067484937433717
Energy: 2.0107362510262106
Energy: 2.093542939197505
Energy: 2.0125259033982
Energy: 2.1360035604376946
Energy: 2.012525903397633
Energy: 2.0935429391941045
Energy: 2.012525903397633
Energy: 2.0932851171424898
Energy: 2.020767174410914
Energy: 2.2270170438680825
Energy: 2.020767174410347
Energy: 2.0932851171458906
Energy: 2.020767174410347
Energy: 2.161721332624349
Energy: 2.0171217323226345
Energy: 2.227683709060753
Energy: 2.0171217323226345
Energy: 2.161721332623782
Energy: 2.0171217323226345
Energy: 2.006070152849931
Energy: 1.9809885928056186
Energy: 2.088911763025314
Energy: 1.9809885928056186
Energy: 2.006070152855598
Energy: 1.9809885928044852
Energy: 2.0027686469375356
Energy: 2.0468075321571964
Energy: 2.0076250844303662
Energy: 2.0468075321566306
Energy: 2.002768646938669
Energy: 2.0468075321571964
Energy: 2.0866269621881806
Energy: 2.0533355036814047
Energy: 2.1231553683598823
Energy: 2.0533355036825385
Energy: 2.0866269621893143
Energy: 2.0533355036825385
Energy: 2.0274327914319707
Energy: 2.019170313091526
Energy: 2.068478441511001
Energy: 2.019170313091526
Energy: 2.0274327914319707
Energy: 2.019170313090959
Energy: 2.0662908110961777
Energy: 1.9811734085462371
Energy: 2.086141821632475
Energy: 1.9811734085456705
Energy: 2.066290776193422
Energy: 1.9811734085456705
Energy: 2.1420711603656626
Energy: 2.0460141094820075
Energy: 2.4120743888102347
Energy: 2.0460141094820075
Energy: 2.142071160365096
Energy: 2.046014109482574
Energy: 2.0313977295322707
Energy: 2.016359172606417
Energy: 2.1574034804271425
Energy: 2.016359172605851
Energy: 2.031397729532838
Energy: 2.016359172605851
Energy: 2.028368555225285
Energy: 2.012960186067496
Energy: 2.081121951512
Energy: 2.012960186068063
Energy: 2.028368555225285
Energy: 2.012960186067496
Energy: 2.052645829755127
Energy: 2.0210009439566083
Energy: 2.035551094092212
Energy: 2.0210009439566083
Energy: 2.0526458302270196
Energy: 2.021000943957175
Energy: 2.064635856790904
Energy: 2.0179067996074345
Energy: 2.1106045407927003
Energy: 2.0179067996074345
Energy: 2.0646358567449976
Energy: 2.017906799606301
Energy: 2.114534323817131
Energy: 2.017151335081873
Energy: 2.327703943143826
Energy: 2.017151335081306
Energy: 2.1145343238165646
Energy: 2.017151335081306
Energy: 2.0180666581031237
Energy: 1.9813875128899687
Energy: 2.171744693388378
Energy: 1.9813875128899687
Energy: 2.01806665810199
Energy: 1.9813875128894018
Energy: 2.0489503901304698
Energy: 2.0472434271054962
Energy: 2.1448791474770625
Energy: 2.047243427106063
Energy: 2.0489503901299035
Energy: 2.047243427106063
Energy: 2.0886457318916043
Energy: 2.049516797336312
Energy: 2.1589217858590635
Energy: 2.0495167973368784
Energy: 2.0886457318916043
Energy: 2.0495167973374455
Energy: 2.0050555362974443
Energy: 2.01730515433825
Energy: 2.0548118046139687
Energy: 2.017305154338817
Energy: 2.005055536296877
Energy: 2.01730515433825
Energy: 2.049524362299753
Energy: 2.011446036761658
Energy: 2.09416446197651
Energy: 2.0114460367593914
Energy: 2.0495243622969195
Energy: 2.0114460367599576
Energy: 2.0936688040975824
Energy: 2.0224232324528533
Energy: 2.0446262923119756
Energy: 2.0224232324528533
Energy: 2.0936688040970153
Energy: 2.0224232324528533
Energy: 2.1231539719817434
Energy: 2.0471946327794446
Energy: 2.1786818303288458
Energy: 2.0471946327794446
Energy: 2.123153972021931
Energy: 2.0471946327794446
Energy: 2.1232677691481583
Energy: 2.0469908501924525
Energy: 2.185065450291518
Energy: 2.046990850193019
Energy: 2.1232677691475916
Energy: 2.0469908501924525
Energy: 2.0919776506774483
Energy: 2.0223905438679193
Energy: 2.041990848556083
Energy: 2.0223905438673526
Energy: 2.091977650678015
Energy: 2.0223905438673526
Energy: 2.085871403283529
Energy: 2.011416598382805
Energy: 2.1242189494519983
Energy: 2.011416598382805
Energy: 2.0858714032846626
Energy: 2.011416598382805
Energy: 2.005208350225439
Energy: 2.017238112596995
Energy: 2.0314179107683143
Energy: 2.017238112596995
Energy: 2.005208350226572
Energy: 2.017238112596995
Energy: 2.091156800608832
Energy: 2.0495167973374455
Energy: 2.1508552078860528
Energy: 2.0495167973374455
Energy: 2.091156800608832
Energy: 2.049516797338012
Energy: 2.048158908809495
Energy: 2.047243531786044
Energy: 2.1451384834583394
Energy: 2.0472435317866107
Energy: 2.048158908809495
Energy: 2.0472435317866107
Energy: 2.017544070414791
Energy: 1.981471396779725
Energy: 2.1714957385374922
Energy: 1.9814713967791582
Energy: 2.017544070415924
Energy: 1.981471396779725
Energy: 2.114664406474027
Energy: 2.0172483872431477
Energy: 2.4086628161073746
Energy: 2.0172483872437144
Energy: 2.114664406474027
Energy: 2.0172483872431477
Energy: 2.0878893891267705
Energy: 2.0176130453979826
Energy: 2.1021029195361662
Energy: 2.0176130453985497
Energy: 2.087889389141506
Energy: 2.0176130453985497
Energy: 2.0772982165051666
Energy: 2.021410928074546
Energy: 2.033724338623266
Energy: 2.02141092807398
Energy: 2.0772982165051666
Energy: 2.021410928074546
Energy: 2.078432874225704
Energy: 2.0137134399576513
Energy: 2.064895492237309
Energy: 2.0137134399576513
Energy: 2.078432874224571
Energy: 2.0137134399582184
Energy: 2.030072965497716
Energy: 2.0163837685297628
Energy: 2.1148110007728222
Energy: 2.0163837685297628
Energy: 2.0300729654988494
Energy: 2.0163837685297628
Energy: 2.1403378576543832
Energy: 2.045902867916335
Energy: 2.4127349885096683
Energy: 2.045902867916335
Energy: 2.14033785765495
Energy: 2.045902867916335
Energy: 2.0493921487814832
Energy: 1.981224194987698
Energy: 2.086313327262473
Energy: 1.981224194988265
Energy: 2.049392148949755
Energy: 1.981224194988265
Energy: 2.027543257064981
Energy: 2.0191592987767875
Energy: 2.0900901550222537
Energy: 2.0191592987762204
Energy: 2.027543257064981
Energy: 2.0191592987762204

minimum gb energy = 1.9809885928044852 eV
minimum distance =  2.42887119775272 Angstroms
sigma value = 51


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

Energy: 2.0904938483593454
Energy: 2.0213055600852616
Energy: 2.141423338843659
Energy: 2.021305560083949
Energy: 2.0904938483593454
Energy: 2.021305560083949
Energy: 2.095029004105153
Energy: 2.2222132562982244
Energy: 2.3183842699327166
Energy: 2.2222132562982244
Energy: 2.095029004105153
Energy: 2.2222132562982244
Energy: 2.095054749304887
Energy: 2.0217436980383066
Energy: 2.2143358264761663
Energy: 2.0217436980383066
Energy: 2.0950547493062004
Energy: 2.0217436980369934
Energy: 2.145200353113375
Energy: 1.967085125625408
Energy: 2.1970920732468513
Energy: 1.967085125625408
Energy: 2.145200353113375
Energy: 1.967085125624095
Energy: 2.111000297409151
Energy: 1.9674079221860288
Energy: 2.2155175115442476
Energy: 1.9674079221860288
Energy: 2.111000297407838
Energy: 1.9674079221860288
Energy: 2.091402988260914
Energy: 1.9661350830882551
Energy: 2.2638913696768737
Energy: 1.9661350830895683
Energy: 2.0914029882648535
Energy: 1.9661350830895683
Energy: 2.091465980465717
Energy: 1.966704146903044
Energy: 2.1954539705189595
Energy: 1.9667041469017308
Energy: 2.0914659818018952
Energy: 1.9667041469004176
Energy: 2.112897806844869
Energy: 1.966381725617903
Energy: 2.1156116649073633
Energy: 1.966381725617903
Energy: 2.1128978068435558
Energy: 1.9663817256165894
Energy: 2.1089632461861814
Energy: 2.1201226991883986
Energy: 2.1126914002305055
Energy: 2.1201226991870854
Energy: 2.1089632510597163
Energy: 2.1201226991870854
Energy: 2.0994784262226522
Energy: 2.050277116443055
Energy: 2.1150300009996195
Energy: 2.050277116443055
Energy: 2.0994784262239654
Energy: 2.050277116443055
Energy: 2.1937267730251575
Energy: 1.9675535391903776
Energy: 2.2192964100888757
Energy: 1.9675535391890642
Energy: 2.1937267730251575
Energy: 1.9675535391890642
Energy: 2.0994115050937916
Energy: 2.0213610014652517
Energy: 2.265078007075582
Energy: 2.021361001466565
Energy: 2.0994115050937916
Energy: 2.021361001466565
Energy: 2.1259751145447203
Energy: 1.9852338409386305
Energy: 2.1945743450782818
Energy: 1.9852338409386305
Energy: 2.1259751145486594
Energy: 1.9852338409386305
Energy: 2.100721625141689
Energy: 2.0206859393344327
Energy: 2.1919731949503927
Energy: 2.0206859393331196
Energy: 2.100721625141689
Energy: 2.0206859393344327
Energy: 2.0953435833145866
Energy: 2.0208744998568617
Energy: 2.2261204088700897
Energy: 2.020874499858175
Energy: 2.0953435833145866
Energy: 2.020874499859488
Energy: 2.111316968029199
Energy: 2.0023439960187797
Energy: 2.2164423180444155
Energy: 2.0023439960187797
Energy: 2.111316968027886
Energy: 2.0023439960187797
Energy: 2.1029277807686153
Energy: 2.049559386467612
Energy: 2.26041459284485
Energy: 2.049559386467612
Energy: 2.1029277807712417
Energy: 2.049559386467612
Energy: 2.2255927430942974
Energy: 1.9666219634044002
Energy: 2.2205058913903772
Energy: 1.9666219634044002
Energy: 2.225592743073317
Energy: 1.9666219634044002

minimum gb energy = 1.9661350830882551 eV
minimum distance =  2.40724119305272 Angstroms
sigma value = 19


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

Energy: 2.272166764935047
Energy: 2.1315507347227367
Energy: 2.274675939793067
Energy: 2.1315507347235156
Energy: 2.2721667649358257
Energy: 2.1315507347235156
Energy: 2.262791106149667
Energy: 2.209591894415539
Energy: 2.2579904313743997
Energy: 2.209591894415539
Energy: 2.262791106149667
Energy: 2.209591894415539
Energy: 2.0985812025970896
Energy: 2.091338849340354
Energy: 2.1213455840331816
Energy: 2.091338849341133
Energy: 2.0985812025970896
Energy: 2.091338849340354
Energy: 2.14727537500022
Energy: 2.0710924020428627
Energy: 2.39448072608547
Energy: 2.0710924020420842
Energy: 2.1472753750009983
Energy: 2.0710924020428627
Energy: 2.152141166504497
Energy: 2.114824101177559
Energy: 2.2465888436079315
Energy: 2.114824101177559
Energy: 2.152141166504497
Energy: 2.1148241011767803
Energy: 2.315803512891154
Energy: 2.1147105241282746
Energy: 2.1521685631996252
Energy: 2.114710524127496
Energy: 2.3158035128919328
Energy: 2.114710524127496
Energy: 2.394803704724891
Energy: 2.0710777693773825
Energy: 2.142926508253217
Energy: 2.071077769376604
Energy: 2.3948037043659873
Energy: 2.0710777693773825
Energy: 2.1394974316699047
Energy: 2.0917050777045576
Energy: 2.0985690357026003
Energy: 2.0917050777045576
Energy: 2.1394974316706836
Energy: 2.0917050777045576
Energy: 2.257774689719581
Energy: 2.2096816943277733
Energy: 2.2627526535662463
Energy: 2.2096816943277733
Energy: 2.257774689719581
Energy: 2.2096816943277733
Energy: 2.4921032784766113
Energy: 2.1315507347235156
Energy: 2.272166764935047
Energy: 2.1315507347242946
Energy: 2.4921032784766113
Energy: 2.1315507347235156
Energy: 2.257990431368947
Energy: 2.209591894415539
Energy: 2.2627911061504453
Energy: 2.209591894415539
Energy: 2.257990431370505
Energy: 2.2095918944163175
Energy: 2.1213455840331816
Energy: 2.091338849341133
Energy: 2.098581202597868
Energy: 2.091338849341133
Energy: 2.1213455840331816
Energy: 2.091338849340354
Energy: 2.3944807260792387
Energy: 2.0710924020428627
Energy: 2.141479009969195
Energy: 2.0710924020420842
Energy: 2.3944807260878074
Energy: 2.0710924020420842
Energy: 2.1996345105107404
Energy: 2.114824101177559
Energy: 2.152141166504497
Energy: 2.114824101177559
Energy: 2.1996345105107404
Energy: 2.114824101177559
Energy: 2.1521685631996252
Energy: 2.1147105241282746
Energy: 2.2670439739469277
Energy: 2.114710524127496
Energy: 2.1521685631996252
Energy: 2.1147105241282746
Energy: 2.1553973980327346
Energy: 2.0710777693773825
Energy: 2.3948037046680652
Energy: 2.0710777693773825
Energy: 2.155397398033513
Energy: 2.0710777693773825
Energy: 2.0985690357026003
Energy: 2.0917050777045576
Energy: 2.1394974316699047
Energy: 2.0917050777045576
Energy: 2.0985690357026003
Energy: 2.0917050777045576
Energy: 2.2627526535662463
Energy: 2.209681694326995
Energy: 2.257774689719581
Energy: 2.2096816943277733
Energy: 2.2627526535654674
Energy: 2.2096816943277733
Energy: 2.272166764935047
Energy: 2.1315507347227367
Energy: 2.3853173780489745
Energy: 2.1315507347235156
Energy: 2.2721667649358257
Energy: 2.1315507347235156
Energy: 2.2627911061504453
Energy: 2.209591894415539
Energy: 2.2579904313673893
Energy: 2.209591894415539
Energy: 2.262791106149667
Energy: 2.209591894415539
Energy: 2.0985812025970896
Energy: 2.091338849340354
Energy: 2.1213455840324023
Energy: 2.091338849340354
Energy: 2.098581202597868
Energy: 2.091338849340354
Energy: 2.1414790099333656
Energy: 2.0710924020428627
Energy: 2.3944807260776813
Energy: 2.0710924020428627
Energy: 2.141479009951281
Energy: 2.0710924020428627
Energy: 2.152141166504497
Energy: 2.114824101177559
Energy: 2.1996345105099615
Energy: 2.114824101177559
Energy: 2.152141166504497
Energy: 2.114824101177559
Energy: 2.3158035128919328
Energy: 2.1147105241282746
Energy: 2.1521685631996252
Energy: 2.114710524127496
Energy: 2.3158035128919328
Energy: 2.114710524127496
Energy: 2.3948037041300827
Energy: 2.0710777693773825
Energy: 2.1519886210815775
Energy: 2.0710777693773825
Energy: 2.3948037043605352
Energy: 2.071077769376604
Energy: 2.1394974316706836
Energy: 2.0917050777045576
Energy: 2.0985690357026003
Energy: 2.0917050777045576
Energy: 2.1394974316699047
Energy: 2.0917050777045576
Energy: 2.2577746897188025
Energy: 2.2096816943277733
Energy: 2.2627526535662463
Energy: 2.2096816943277733
Energy: 2.2577746897203603
Energy: 2.2096816943277733
Energy: 2.3658453021098063
Energy: 2.1315507347235156
Energy: 2.2721667649358257
Energy: 2.1315507347235156
Energy: 2.3658453021082484
Energy: 2.1315507347227367
Energy: 2.257990431372063
Energy: 2.209591894415539
Energy: 2.2627911061504453
Energy: 2.209591894415539
Energy: 2.2579904313736208
Energy: 2.209591894415539
Energy: 2.1213455840331816
Energy: 2.091338849340354
Energy: 2.098581202597868
Energy: 2.091338849341133
Energy: 2.12134558403396
Energy: 2.091338849340354

minimum gb energy = 2.071077769376604 eV
minimum distance =  2.41011165251969 Angstroms
sigma value = 27


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

Energy: 1.958065587308202
Energy: 1.9541227664622685
Energy: 2.5266135400131433
Energy: 1.9541227664622685
Energy: 1.958065587308202
Energy: 1.9541227664622685
Energy: 1.917599676003416
Energy: 2.021366412476976
Energy: 2.005024037267641
Energy: 2.021366412476976
Energy: 1.917599676003416
Energy: 2.021366412476976
Energy: 1.9700386477899752
Energy: 2.2057385504641664
Energy: 2.1379545622734977
Energy: 2.2057385504641664
Energy: 1.9700386477899752
Energy: 2.2057385504660743
Energy: 2.216757032295012
Energy: 1.9580628016384047
Energy: 2.2624199375946668
Energy: 1.9580628016384047
Energy: 2.21675703229692
Energy: 1.9580628016384047
Energy: 2.003193320185634
Energy: 1.954331653514694
Energy: 2.4097105801552603
Energy: 1.954331653514694
Energy: 2.003193320185634
Energy: 1.954331653514694
Energy: 1.9797162412340417
Energy: 2.204864939260402
Energy: 2.0064626370447702
Energy: 2.204864939260402
Energy: 1.9797162412340417
Energy: 2.2048649392623094
Energy: 2.0023627860622315
Energy: 2.008810545020772
Energy: 1.9703052079702024
Energy: 2.008810545020772
Energy: 2.0023627860622315
Energy: 2.008810545020772
Energy: 1.9582106058338475
Energy: 1.9586003942096555
Energy: 2.2406352718615024
Energy: 1.9586003942096555
Energy: 1.9582106058338475
Energy: 1.9586003942096555
Energy: 1.9699222759917279
Energy: 1.956063997353238
Energy: 2.2112931528879938
Energy: 1.956063997353238
Energy: 1.9699222759917279
Energy: 1.956063997353238
Energy: 1.9702293274449767
Energy: 2.2040224088854856
Energy: 1.9700049339836287
Energy: 2.2040224088854856
Energy: 1.9702293274449767
Energy: 2.2040224088854856
Energy: 2.3902489530262
Energy: 1.9561166954882996
Energy: 1.9695123492743785
Energy: 1.9561166954882996
Energy: 2.3902489530262
Energy: 1.9561166954882996
Energy: 2.2107840110134047
Energy: 1.958637047914471
Energy: 1.9582517581895202
Energy: 1.958637047914471
Energy: 2.210784011825843
Energy: 1.9586370479125632

minimum gb energy = 1.917599676003416 eV
minimum distance =  2.44175250750881 Angstroms
sigma value = 9


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

Energy: 2.322084770366226
Energy: 2.260190115311635
Energy: 2.214034976587714
Energy: 2.260190115312172
Energy: 2.3220847703667618
Energy: 2.260190115312172
Energy: 2.151756805887488
Energy: 2.153189303134645
Energy: 2.0383659441755153
Energy: 2.1831442409849773
Energy: 2.1517568058869516
Energy: 2.1531893031351816
Energy: 1.9965601986028656
Energy: 2.1977983687843574
Energy: 2.0349450169297367
Energy: 2.1977983687843574
Energy: 1.9965601986034016
Energy: 2.197798368783822
Energy: 2.0154610965703372
Energy: 2.141207196734261
Energy: 2.20829750193507
Energy: 2.1412071967331885
Energy: 2.015461096569801
Energy: 2.141207196734261
Energy: 2.01202764469197
Energy: 2.1410189519957417
Energy: 2.2020573712468483
Energy: 2.1410189519957417
Energy: 2.012027644691434
Energy: 2.1410189519957417
Energy: 1.9781358433160412
Energy: 2.137036370318211
Energy: 2.0383571361876376
Energy: 2.137036370318211
Energy: 1.9781358433165772
Energy: 2.122579112017974
Energy: 2.288194841829635
Energy: 2.165515683140794
Energy: 2.125339913436715
Energy: 2.1655156831413302
Energy: 2.2881948418301716
Energy: 2.1655156831424023
Energy: 2.1105663962195957
Energy: 2.1420205625123923
Energy: 2.056899450214941
Energy: 2.1420205625129283
Energy: 2.1105663962201318
Energy: 2.1420205625129283
Energy: 2.1462945242546074
Energy: 2.2826471131299795
Energy: 2.1405781540219406
Energy: 2.2826471131289074
Energy: 2.146294524255144
Energy: 2.2826471131289074
Energy: 2.122583237657276
Energy: 2.22029201661833
Energy: 2.0130475899955322
Energy: 2.220292016617794
Energy: 2.122583237657276
Energy: 2.220292016617794
Energy: 2.2431134448051275
Energy: 2.152538448742446
Energy: 2.1434783725757445
Energy: 2.1525384487429826
Energy: 2.2431134448024475
Energy: 2.152538448742446
Energy: 2.0128768734514555
Energy: 2.1447966784290875
Energy: 1.999541425011561
Energy: 2.1447966784290875
Energy: 2.0128768734509195
Energy: 2.1447966784290875
Energy: 1.9809432866259133
Energy: 2.0995413332374637
Energy: 2.035161383417834
Energy: 2.0995413332358552
Energy: 1.9809432866269854
Energy: 2.0995413332358552
Energy: 2.2909718669314088
Energy: 2.2369935115406285
Energy: 2.3464929059784447
Energy: 2.2369935115400925
Energy: 2.290971866930873
Energy: 2.2369935115400925
Energy: 2.0200636668169136
Energy: 2.2083178340060874
Energy: 2.0549840010085587
Energy: 2.2083178340055514
Energy: 2.020063666819058
Energy: 2.2083178340055514
Energy: 2.178991723609449
Energy: 2.128599002912834
Energy: 2.010957974125687
Energy: 2.12859900291337
Energy: 2.1789917236073046
Energy: 2.128599002912834
Energy: 2.1316781849124644
Energy: 2.2030405002140934
Energy: 2.0131253629830854
Energy: 2.2030405002135574
Energy: 2.131678184911392
Energy: 2.2030405002140934
Energy: 2.0144101273414337
Energy: 2.103831690167358
Energy: 2.0122295076220014
Energy: 2.10383169016575
Energy: 2.0144101273419697
Energy: 2.10383169016575
Energy: 2.1186581008521617
Energy: 2.2350656262634163
Energy: 1.9759101139763735
Energy: 2.2350656262634163
Energy: 2.1186581008521617
Energy: 2.2350656262634163
Energy: 2.023922547500134
Energy: 2.2770670597322895
Energy: 2.0247854676923134
Energy: 2.2770670597322895
Energy: 2.0239225475006695
Energy: 2.3000464882091305
Energy: 1.975161530420647
Energy: 2.235797316853075
Energy: 2.1236692515552837
Energy: 2.235797316853611
Energy: 1.9751615304195747
Energy: 2.235797316853075
Energy: 2.033395288214604
Energy: 2.104416102033754
Energy: 2.0142145613838713
Energy: 2.1044161020342904
Energy: 2.033395288214604
Energy: 2.104416102033754
Energy: 2.0137857543296507
Energy: 2.203014606888766
Energy: 2.132086485016354
Energy: 2.203014606889838
Energy: 2.0137857543285786
Energy: 2.203014606889302
Energy: 2.010385575129622
Energy: 2.1283386157203297
Energy: 2.1790667206582905
Energy: 2.1283386157197937
Energy: 2.0103855751290864
Energy: 2.1283386157208657
Energy: 2.0539042986636504
Energy: 2.208626264889115
Energy: 2.0233224051344414
Energy: 2.208626264889651
Energy: 2.0539042986657945
Energy: 2.208626264889651
Energy: 2.344782465058362
Energy: 2.2372030578354396
Energy: 2.2907209186099315
Energy: 2.2372030578354396
Energy: 2.344782465058898
Energy: 2.237203057835976
Energy: 2.034918798516979
Energy: 2.099733862900373
Energy: 1.9814876702278004
Energy: 2.099733862900909
Energy: 2.034918798518051
Energy: 2.099733862900909
Energy: 1.9998082310310283
Energy: 2.1447304313657907
Energy: 2.0133166535432485
Energy: 2.1447304313652547
Energy: 1.9998082310604646
Energy: 2.1447304313652547
Energy: 2.051028347421828
Energy: 2.142251223880051
Energy: 2.10170869226393
Energy: 2.142251223880587
Energy: 2.0510283474191473
Energy: 2.142251223880051
Energy: 2.0124723325545344
Energy: 2.2205290258543786
Energy: 2.122449773711084
Energy: 2.220529025853842
Energy: 2.012472332555607
Energy: 2.220529025853842
Energy: 2.120472789418223
Energy: 2.2826471131299795
Energy: 2.1464626131835023
Energy: 2.2826471131299795
Energy: 2.120472789416078
Energy: 2.2826471131305155
Energy: 2.064531694505343
Energy: 2.141812230023032
Energy: 2.1103077214188133
Energy: 2.1418122300224955
Energy: 2.064531697219404
Energy: 2.1418122300224955
Energy: 2.14399899808754
Energy: 2.1654659089130877
Energy: 2.5056357580090785
Energy: 2.1654659089120156
Energy: 2.1439989980864675
Energy: 2.1654659089120156
Energy: 2.0354646928137354
Energy: 2.0992153487067946
Energy: 1.9781409987533396
Energy: 2.0992153487067946
Energy: 2.0354646928132
Energy: 2.0992153487067946
Energy: 2.2338962752749274
Energy: 2.140957338088832
Energy: 2.012021131417942
Energy: 2.140957338088832
Energy: 2.2338962752524116
Energy: 2.140957338088832
Energy: 2.205335194795016
Energy: 2.141434503147759
Energy: 2.015379395756484
Energy: 2.141434503147759
Energy: 2.2053351947976965
Energy: 2.1414345031472224
Energy: 2.012095525520378
Energy: 2.1977346529109703
Energy: 1.9971887423763157
Energy: 2.197734652909362
Energy: 2.012095525520914
Energy: 2.1977346529098982
Energy: 2.035444026717554
Energy: 2.1531893031351816
Energy: 2.152528299331594
Energy: 2.153189303134645
Energy: 2.0354440267255955
Energy: 2.1531893031351816
Energy: 2.353771251240675
Energy: 2.260190115312172
Energy: 2.3220847703678342
Energy: 2.260190115311635
Energy: 2.3537712512385305
Energy: 2.260190115312172
Energy: 2.0383659441883815
Energy: 2.2117281182474153
Energy: 2.151756805888024
Energy: 2.2117281182474153
Energy: 2.0383659441733712
Energy: 2.2117281182474153
Energy: 2.0349450169361214
Energy: 2.1977983687843574
Energy: 1.9965601986034016
Energy: 2.1977983687843574
Energy: 2.0349450169313448
Energy: 2.197798368783822
Energy: 2.208297501933998
Energy: 2.1412071967337245
Energy: 2.0154610965692648
Energy: 2.1412071967337245
Energy: 2.208297501934534
Energy: 2.1412071967337245
Energy: 2.202057070243014
Energy: 2.1410189519957417
Energy: 2.012027644690898
Energy: 2.1410189519968137
Energy: 2.2020571257649717
Energy: 2.1410189519962777

minimum gb energy = 1.9751615304195747 eV
minimum distance =  2.42137069563482 Angstroms
sigma value = 57


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

Energy: 1.9910146950562349
Energy: 2.092698235821275
Energy: 2.128936823648349
Energy: 2.092698235821275
Energy: 1.9910146950562349
Energy: 2.092698235821275
Energy: 2.4060214187185234
Energy: 2.1405178951578123
Energy: 1.7524919957111407
Energy: 2.1405178951578123
Energy: 2.4060214187185234
Energy: 2.1405178951578123
Energy: 1.712278052865372
Energy: 2.0249764966260324
Energy: 1.752268530477311
Energy: 2.0249764966260324
Energy: 1.712278052865372
Energy: 2.0249764966260324
Energy: 1.7520558299762263
Energy: 2.0639905057416774
Energy: 1.8225613744283775
Energy: 2.0639905057416774
Energy: 1.7520558299750062
Energy: 2.0639905057428973
Energy: 1.7513662767601783
Energy: 2.089883327404177
Energy: 1.7506030496783427
Energy: 2.089883327404177
Energy: 1.7513662767601783
Energy: 2.089883327404177
Energy: 2.4695668565365927
Energy: 2.0307598472231225
Energy: 1.9055047921281485
Energy: 2.0307598472231225
Energy: 2.4695668565365927
Energy: 2.0307598472231225
Energy: 2.4691102841639676
Energy: 2.0262008958975084
Energy: 1.905423313159389
Energy: 2.0262008958962885
Energy: 2.4691102841651884
Energy: 2.0262008958962885
Energy: 1.7511177444276023
Energy: 2.0896844834182184
Energy: 1.8217582408336397
Energy: 2.0896844834169985
Energy: 1.7511177444276023
Energy: 2.0896844834182184
Energy: 1.7519106137782627
Energy: 2.0638852130750682
Energy: 1.8940069261463524
Energy: 2.0638852130750682
Energy: 1.7519106137770424
Energy: 2.0638852130738483
Energy: 1.7123863539409268
Energy: 2.02504090847669
Energy: 1.755107627865155
Energy: 2.0250409084779104
Energy: 1.7123863539409268
Energy: 2.02504090847669
Energy: 2.405640317245121
Energy: 2.1405178951578123
Energy: 1.8249752192300635
Energy: 2.1405178951578123
Energy: 2.405640317245121
Energy: 2.1405178951578123
Energy: 1.9910146950562349
Energy: 2.092698235821275
Energy: 2.223727634949067
Energy: 2.092698235821275
Energy: 1.9910146950562349
Energy: 2.092698235820055
Energy: 2.4060214187185234
Energy: 2.1405178951578123
Energy: 1.7524919957111407
Energy: 2.1405178951578123
Energy: 2.4060214187185234
Energy: 2.1405178951578123
Energy: 1.712278052865372
Energy: 2.024976496624812
Energy: 1.7522685305017174
Energy: 2.024976496624812
Energy: 1.712278052865372
Energy: 2.024976496624812
Energy: 1.7520558299762263
Energy: 2.0639905057416774
Energy: 1.7703226554822902
Energy: 2.0639905057416774
Energy: 1.7520558299762263
Energy: 2.0639905057416774
Energy: 1.7513662767601783
Energy: 2.089883327404177
Energy: 1.7506030495905345
Energy: 2.089883327404177
Energy: 1.7513662767601783
Energy: 2.089883327404177
Energy: 2.4695668565365927
Energy: 2.0307598472231225
Energy: 1.905504792129369
Energy: 2.0307598472231225
Energy: 2.4695668565365927
Energy: 2.030759847221902
Energy: 2.4691102841639676
Energy: 2.0262008958962885
Energy: 1.90542331316305
Energy: 2.0262008958962885
Energy: 2.4691102841639676
Energy: 2.0262008958975084
Energy: 1.7511177444276023
Energy: 2.0896844834169985
Energy: 1.7713346792984883
Energy: 2.0896844834169985
Energy: 1.7511177444263823
Energy: 2.0896844834182184

minimum gb energy = 1.712278052865372 eV
minimum distance =  2.41363357078522 Angstroms
sigma value = 11


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

Energy: 1.7937599136208708
Energy: 2.02762704841989
Energy: 1.8838102336062013
Energy: 2.02762704841989
Energy: 1.7937599136208708
Energy: 2.0276270484189958
Energy: 2.471892316463106
Energy: 1.9417573185889434
Energy: 1.5862577859836169
Energy: 1.9417573112504825
Energy: 2.471892316463106
Energy: 1.9417573299634237
Energy: 1.7646809749037033
Energy: 1.8984217519426378
Energy: 1.801359228294391
Energy: 1.8984217519435318
Energy: 1.764680974904597
Energy: 1.898421751941744
Energy: 1.846052986510601
Energy: 1.892146625300434
Energy: 1.58715518486775
Energy: 1.8921466253021406
Energy: 1.846052986509707
Energy: 1.8921466253066104
Energy: 1.5857529099278234
Energy: 2.0250506621665294
Energy: 1.7009106463677615
Energy: 2.0250506621656355
Energy: 1.585752909928717
Energy: 2.0250506621656355
Energy: 1.6124083324855623
Energy: 1.9922704517700718
Energy: 1.5866742834031047
Energy: 1.9922704517682843
Energy: 1.6124083324855623
Energy: 1.9922704517700718
Energy: 1.610113362858499
Energy: 2.037959260676065
Energy: 1.5875071813134152
Energy: 2.037959260676065
Energy: 1.610113362858499
Energy: 2.037959260676065
Energy: 2.1398528248124626
Energy: 2.069316637709058
Energy: 1.6295586582487391
Energy: 2.069316637709058
Energy: 2.139852824813356
Energy: 2.0693166377099526
Energy: 2.141065990496104
Energy: 2.073622252115302
Energy: 2.0889794074065855
Energy: 2.0736222521161958
Energy: 2.141065990496104
Energy: 2.073622252115302
Energy: 1.6126029351428044
Energy: 1.8999204433371504
Energy: 1.5866264009412927
Energy: 1.8999204433317867
Energy: 1.6126029351428044
Energy: 1.899920443329105
Energy: 1.6111711167415568
Energy: 1.9899420562386416
Energy: 1.5868280809050608
Energy: 1.9899420562377474
Energy: 1.6111711167415568
Energy: 1.9899420562377474
Energy: 1.5876166062475936
Energy: 2.0716208899166677
Energy: 1.5876203084014537
Energy: 2.071620889915774
Energy: 1.5876166062484875
Energy: 2.071620889915774
Energy: 2.1397351012444084
Energy: 1.8913778661931075
Energy: 1.699783248280868
Energy: 1.891377866188638
Energy: 2.1397351012453023
Energy: 1.891377866189532
Energy: 1.7674358797369278
Energy: 1.9236826536210878
Energy: 1.611383524245347
Energy: 1.923682653620194
Energy: 1.767435879736034
Energy: 1.923682653620194
Energy: 2.4705873514103316
Energy: 1.9411132419314312
Energy: 1.586035985462445
Energy: 1.9411132419323254
Energy: 2.470587351409437
Energy: 1.9411132419314312
Energy: 1.7970407594054696
Energy: 2.0287990641017752
Energy: 1.878110488916007
Energy: 2.0287990641017752
Energy: 1.7970407594063638
Energy: 2.0287990641017752
Energy: 2.5035054692896646
Energy: 1.9441616087803404
Energy: 1.6103997312842102
Energy: 1.9441616087785523
Energy: 2.503505469287877
Energy: 1.9441616087821278
Energy: 1.7672520854605303
Energy: 1.9170223019522106
Energy: 1.6663037256005138
Energy: 1.9170223019504227
Energy: 1.7672520854605303
Energy: 1.9170223019539983
Energy: 1.8515811642740199
Energy: 1.9154087603253618
Energy: 1.586632819576845
Energy: 1.9154087603262555
Energy: 1.8515811642740199
Energy: 1.9154087603235737
Energy: 1.5874454747216196
Energy: 2.028498546685809
Energy: 1.6127377699874808
Energy: 2.028498546685809
Energy: 1.5874454747234072
Energy: 2.028498546686703
Energy: 2.244420760577135
Energy: 2.0046612010906983
Energy: 1.7666762978717883
Energy: 2.0046612010898044
Energy: 2.244420760578029
Energy: 2.0046612010898044
Energy: 1.61248657818604
Energy: 2.031199733437656
Energy: 1.5927810398814972
Energy: 2.031199733437656
Energy: 1.6124865781869342
Energy: 2.031199733437656
Energy: 2.1426440475363826
Energy: 2.0388065998743965
Energy: 1.8089203776312395
Energy: 2.0388065998735025
Energy: 2.142644047534595
Energy: 2.0388065998735025
Energy: 1.5883500258934986
Energy: 2.0870758708042803
Energy: 2.088713796366394
Energy: 2.087075870806068
Energy: 1.5883500258943928
Energy: 2.0870758708042803
Energy: 1.6196113938966288
Energy: 1.9030139196208684
Energy: 1.766638509006134
Energy: 1.9030139196226559
Energy: 1.6196113938966288
Energy: 1.9030139196137172
Energy: 1.6128137888694043
Energy: 1.9915039020104106
Energy: 1.5873222649686844
Energy: 1.9915039020104106
Energy: 1.6128137888685103
Energy: 1.9915039020104106

minimum gb energy = 1.5857529099278234 eV
minimum distance =  2.45923410629414 Angstroms
sigma value = 41


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

Energy: 2.2437992925464303
Energy: 1.9469695646396454
Energy: 1.5594887822873558
Energy: 1.9469695646410545
Energy: 2.2437992925471346
Energy: 1.9469695646410545
Energy: 2.4685189049588856
Energy: 1.7974478583350018
Energy: 1.461632399750955
Energy: 1.7974478583357063
Energy: 2.4685189049602947
Energy: 1.797447858336411
Energy: 1.6090444522885845
Energy: 1.8654728625589503
Energy: 1.4929051166013938
Energy: 1.8654728625589503
Energy: 1.6090444522885845
Energy: 1.8654728625589503
Energy: 2.191281687294137
Energy: 1.7483630299297515
Energy: 1.4611382044742645
Energy: 1.748363029930456
Energy: 2.191281687293433
Energy: 1.748363029930456
Energy: 1.5913547404221453
Energy: 1.7448367098284978
Energy: 1.4926776172256795
Energy: 1.7448367098263844
Energy: 1.5913547404221453
Energy: 1.7448367098228614
Energy: 1.9168503775360173
Energy: 1.8820478869076613
Energy: 1.4614662939680065
Energy: 1.8820478869076613
Energy: 1.9168503775353123
Energy: 1.8820478869076613
Energy: 1.459739574482669
Energy: 1.9091875403378216
Energy: 1.4601233262403415
Energy: 1.9091875403378216
Energy: 1.459739574482669
Energy: 1.9091875403378216
Energy: 2.0314814148528524
Energy: 1.93630023598677
Energy: 1.4917292507306117
Energy: 1.9363002359740882
Energy: 2.0314814148521476
Energy: 1.936300235983247
Energy: 1.4929381305772955
Energy: 1.844431661558025
Energy: 1.86767692021685
Energy: 1.8444316615552063
Energy: 1.4929381305772955
Energy: 1.8444316615615473
Energy: 1.9265539442799777
Energy: 1.9331369671350624
Energy: 1.8798592167037764
Energy: 1.9331369671350624
Energy: 1.9265539442792734
Energy: 1.9331369671350624
Energy: 1.9219178428353918
Energy: 1.9062102488681403
Energy: 1.8791461049541307
Energy: 1.9062102488681403
Energy: 1.9219178428346877
Energy: 1.9062102488681403
Energy: 1.4980571853210665
Energy: 1.9423737141650783
Energy: 1.491455100191862
Energy: 1.8979365450939893
Energy: 1.4980571853210665
Energy: 1.9799240036527543
Energy: 1.4933893545146517
Energy: 1.8947404311923668
Energy: 1.7768774449264217
Energy: 1.8947404311923668
Energy: 1.4933893545139472
Energy: 1.8947404311923668
Energy: 1.4643985449856636
Energy: 1.8635517594178839
Energy: 1.4618418819778256
Energy: 1.8635517594185889
Energy: 1.4643985449856636
Energy: 1.8635517594171795
Energy: 1.9213363989090777
Energy: 1.8402781507463206
Energy: 1.4615750817699753
Energy: 1.8402781507456156
Energy: 1.9213363989090777
Energy: 1.8402781507456156
Energy: 1.5962170277100682
Energy: 1.8640648778606341
Energy: 1.4611185183566042
Energy: 1.864064877862043
Energy: 1.5962170277100682
Energy: 1.9423262466723588
Energy: 1.8695679176926079
Energy: 1.876464183731919
Energy: 1.5187771111407435
Energy: 1.8764641837326232
Energy: 1.8695679176940168
Energy: 1.876464183731919
Energy: 1.6137119574537166
Energy: 1.898273263026194
Energy: 1.4945790357730717
Energy: 1.898273263026194
Energy: 1.6137119574537166
Energy: 1.898273263026194
Energy: 2.4672416475989145
Energy: 1.7942410032277514
Energy: 1.4610957533078748
Energy: 1.7942410032270466
Energy: 2.4672416475982093
Energy: 1.7942410032277514
Energy: 2.230495408610625
Energy: 1.9479874643425314
Energy: 1.7163071114790087
Energy: 1.8643636313612673
Energy: 2.230495408610625
Energy: 1.976730260706744
Energy: 2.450295940254761
Energy: 1.7958267511117958
Energy: 1.4925882324166417
Energy: 1.7958267511117958
Energy: 2.450295940254056
Energy: 1.7958267511125001
Energy: 1.6136593218976987
Energy: 1.8624894531485812
Energy: 1.5783115340003766
Energy: 1.8624894531478768
Energy: 1.6136593218976987
Energy: 1.8624894531478768
Energy: 2.2340475397047856
Energy: 1.737899847281803
Energy: 1.4604758156648627
Energy: 1.7378998472810983
Energy: 2.2340475397054904
Energy: 1.7378998472810983
Energy: 1.5962858957833679
Energy: 1.8243304982672508
Energy: 1.496483744727283
Energy: 1.8383570022372029
Energy: 1.5962858957833679
Energy: 1.7935868136722013
Energy: 1.7075182012179688
Energy: 1.879895611448353
Energy: 1.59400976921522
Energy: 1.879895611448353
Energy: 1.7075182012179688
Energy: 1.879895611448353
Energy: 1.464615459996201
Energy: 1.7948979146500863
Energy: 1.6678526128602362
Energy: 1.7948979146550181
Energy: 1.4646154599954964
Energy: 1.7948979146557225
Energy: 2.030305606528338
Energy: 1.9001881141555743
Energy: 1.6109010447069412
Energy: 1.9001881141555743
Energy: 2.0303056065276337
Energy: 1.9001881141562789
Energy: 1.498272230008463
Energy: 1.8417600986948632
Energy: 1.8661349612272387
Energy: 1.8417600986948632
Energy: 1.4982722300091673
Energy: 1.8258813538604748
Energy: 1.9244927964250285
Energy: 1.933879505696962
Energy: 1.8805726798883045
Energy: 1.933879505696257
Energy: 1.9244927964243244
Energy: 1.933879505696257
Energy: 1.462885586084933
Energy: 1.8486087878734674
Energy: 1.8791070683970037
Energy: 1.8823843877386532
Energy: 1.462885586084933
Energy: 1.8486087878734674
Energy: 1.493353346905605
Energy: 1.9002085565725473
Energy: 1.6106536360649906
Energy: 1.9002085565725473
Energy: 1.493353346905605
Energy: 1.9002085565732516
Energy: 1.498969828047614
Energy: 1.8937814054799762
Energy: 1.8654511140273893
Energy: 1.8937814054799762
Energy: 1.498969828047614
Energy: 1.8937814054792712
Energy: 1.4612138638580365
Energy: 1.8638660870699477
Energy: 1.5932206872669692
Energy: 1.8638660870706523
Energy: 1.4612138638573322
Energy: 1.8638660870692432

minimum gb energy = 1.459739574482669 eV
minimum distance =  2.43339074369698 Angstroms
sigma value = 33


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

Energy: 1.8853530526543096
Energy: 1.7475822756440613
Energy: 1.5973179830247406
Energy: 1.7475822756455448
Energy: 1.8853530526543096
Energy: 1.7475822756455448
Energy: 2.656033734953045
Energy: 1.598876907320801
Energy: 1.3053157102566555
Energy: 1.5988769073212954
Energy: 2.6560337349535392
Energy: 1.598876907320801
Energy: 1.8523196490505083
Energy: 1.7236330301809097
Energy: 1.5744659647156432
Energy: 1.7236330301814042
Energy: 1.8523196490500138
Energy: 1.7236330301814042
Energy: 2.21502415834487
Energy: 1.4763052151743346
Energy: 1.3049241298167382
Energy: 1.4763052151728513
Energy: 2.21502415834487
Energy: 1.4763052151708733
Energy: 1.4179762568545262
Energy: 1.6962007491470161
Energy: 1.3287513934851736
Energy: 1.6962007491470161
Energy: 1.4179762568545262
Energy: 1.6962007491470161
Energy: 2.0063497952761504
Energy: 1.650976943730352
Energy: 1.3050404422719004
Energy: 1.6509769437318356
Energy: 2.006349795275161
Energy: 1.6509769437308466
Energy: 1.3940239581916667
Energy: 1.629344007240219
Energy: 1.3109142671609677
Energy: 1.6293440072412078
Energy: 1.3940239581901832
Energy: 1.6293440072397245
Energy: 1.8126853213745888
Energy: 1.6564360569858203
Energy: 1.3119211739248522
Energy: 1.6564360569873036
Energy: 1.8126853213726108
Energy: 1.6564360569873036
Energy: 1.3100887655699254
Energy: 1.6986210340321097
Energy: 1.6186692341864104
Energy: 1.6986210340325592
Energy: 1.3100887655694309
Energy: 1.6986210340325592
Energy: 1.624357603255243
Energy: 1.7179484131815979
Energy: 1.6021834480630566
Energy: 1.7179484131811034
Energy: 1.6243576032557374
Energy: 1.7179484131811034
Energy: 1.3046336315910394
Energy: 1.6573434716806903
Energy: 1.6201158459496225
Energy: 1.6573434716708009
Energy: 1.3046336315910394
Energy: 1.6573434716510673
Energy: 2.0581128679717047
Energy: 1.7460840849355295
Energy: 1.624003566096629
Energy: 1.746084084936024
Energy: 2.0581128679717047
Energy: 1.746084084935035
Energy: 1.5986214855018737
Energy: 1.6986267974080924
Energy: 1.9922553470771605
Energy: 1.698626797407598
Energy: 1.5986214855018737
Energy: 1.698626797407598
Energy: 1.6339131164808025
Energy: 1.725592513219789
Energy: 2.0377330597775813
Energy: 1.725592513220778
Energy: 1.6339131164808025
Energy: 1.7255925132212722
Energy: 1.619920313464508
Energy: 1.6582247433089643
Energy: 2.0269329407412737
Energy: 1.6582247433064918
Energy: 1.6199203134650024
Energy: 1.6582247433153925
Energy: 1.606567001883758
Energy: 1.725916761457014
Energy: 1.625144484700473
Energy: 1.7259167614575082
Energy: 1.606567001883758
Energy: 1.725916761457014
Energy: 1.5985956815213362
Energy: 1.700576998138507
Energy: 1.9920446449264961
Energy: 1.700576998138507
Energy: 1.5985956815218307
Energy: 1.700576998138507
Energy: 1.312572799034408
Energy: 1.7248790334799142
Energy: 1.600083601601352
Energy: 1.7248790334789255
Energy: 1.312572799034408
Energy: 1.7248790334804087
Energy: 1.6209764232260127
Energy: 1.704528586578867
Energy: 1.618262936857042
Energy: 1.704528586577878
Energy: 1.6209764232260127
Energy: 1.704528586578867
Energy: 1.3183015977571804
Energy: 1.7302946090424869
Energy: 1.3112920833679713
Energy: 1.7302946090429814
Energy: 1.3183015977571804
Energy: 1.7302946090424869
Energy: 1.5985244251256197
Energy: 1.7019802101168748
Energy: 1.5297017443051426
Energy: 1.7019802101173693
Energy: 1.5985244251271031
Energy: 1.7019802101178638
Energy: 1.4025221136587942
Energy: 1.7244858701723655
Energy: 1.3050429111519797
Energy: 1.72448587017286
Energy: 1.4025221136582997
Energy: 1.7244858701723655
Energy: 2.007468294836718
Energy: 1.7263079568601616
Energy: 1.3131576928980992
Energy: 1.7263079568611508
Energy: 2.0074682948372127
Energy: 1.7263079568611508
Energy: 1.42573282943685
Energy: 1.7295376084151226
Energy: 1.3049114789967595
Energy: 1.729537608416606
Energy: 1.42573282943685
Energy: 1.7295376084161116
Energy: 1.9943839825433496
Energy: 1.687432751459281
Energy: 1.5354947566106978
Energy: 1.687432751459281
Energy: 1.9943839825433496
Energy: 1.6874327514587866
Energy: 1.8460035135486503
Energy: 1.735074952626748
Energy: 1.3214092240813358
Energy: 1.735074952625759
Energy: 1.846003513547167
Energy: 1.7350749526262534
Energy: 2.4316550428260144
Energy: 1.6174835187608216
Energy: 1.3127981765124994
Energy: 1.6174835176937676
Energy: 2.4316550428260144
Energy: 1.617483517612226
Energy: 1.8810629730644313
Energy: 1.731741491017138
Energy: 1.6204389194258955
Energy: 1.7317414910176325
Energy: 1.8810629730634423
Energy: 1.731741491017138
Energy: 2.2153980320213225
Energy: 1.6569690692264454
Energy: 1.6131872813619745
Energy: 1.6569690692269399
Energy: 2.2153980320213225
Energy: 1.6569690692294121
Energy: 1.8460027194345676
Energy: 1.7340171130645956
Energy: 1.6636934891953443
Energy: 1.7340171130655846
Energy: 1.8460027194345676
Energy: 1.73401711306509
Energy: 2.00801403075211
Energy: 1.5413785201756356
Energy: 1.3124424051665295
Energy: 1.5413785201756356
Energy: 2.0080140307491434
Energy: 1.5413785201741521
Energy: 1.4257338429215431
Energy: 1.7011113883373488
Energy: 1.4820590301802712
Energy: 1.7011113883368543
Energy: 1.425733842922532
Energy: 1.7011113883373488
Energy: 1.8116263378827324
Energy: 1.6238469697931637
Energy: 1.3183473391291238
Energy: 1.6238469697931637
Energy: 1.8116263378827324
Energy: 1.6238469697936582
Energy: 1.4038895018355964
Energy: 1.6504772819715081
Energy: 1.8421190301571428
Energy: 1.6504772819720026
Energy: 1.4038895018355964
Energy: 1.6504772819724969
Energy: 1.8408424517658775
Energy: 1.6501559500883636
Energy: 1.4020146920246903
Energy: 1.650155950088858
Energy: 1.840842451765383
Energy: 1.650155950088858
Energy: 1.3185401266284797
Energy: 1.624687631687612
Energy: 1.8078007156881963
Energy: 1.624687631687612
Energy: 1.3185401266265018
Energy: 1.624687631687612
Energy: 1.4796129261319313
Energy: 1.701095689223153
Energy: 1.4255854758076516
Energy: 1.7010956892236475
Energy: 1.4796129261314368
Energy: 1.701095689223153
Energy: 1.313051872857073
Energy: 1.5331610162777098
Energy: 2.0077376001496843
Energy: 1.5331610157661637
Energy: 1.313051872856084
Energy: 1.5331610160454465
Energy: 1.6636934891958388
Energy: 1.7350958229023643
Energy: 1.8463690660473966
Energy: 1.7350958229023643
Energy: 1.6636934891948498
Energy: 1.7350958229023643
Energy: 1.4585146838522263
Energy: 1.6571923730384728
Energy: 2.2152283009968654
Energy: 1.657192373040945
Energy: 1.4585146838418426
Energy: 1.6571923730463842
Energy: 1.6224950422623834
Energy: 1.7313837842483129
Energy: 1.8799900506575289
Energy: 1.7313837842483129
Energy: 1.622495042385415
Energy: 1.7313837842483129
Energy: 1.3136402061401353
Energy: 1.6210548549663135
Energy: 2.433662330774877
Energy: 1.6210548565552974
Energy: 1.3136402061406298
Energy: 1.6210548546490022
Energy: 1.3211004511622395
Energy: 1.7349860504455
Energy: 1.8463930111428617
Energy: 1.7349860504445107
Energy: 1.3211004511622395
Energy: 1.7349860504445107
Energy: 1.4545446583747066
Energy: 1.6872143851261965
Energy: 1.9948702513529268
Energy: 1.6872143851261965
Energy: 1.4545446583722341
Energy: 1.687214385125702
Energy: 1.3049070330858152
Energy: 1.7296801209168895
Energy: 1.4254832040528056
Energy: 1.729680120917384
Energy: 1.3049070330858152
Energy: 1.7296801209168895
Energy: 1.312809063930593
Energy: 1.7263079568601616
Energy: 2.007287742755469
Energy: 1.726307956859667
Energy: 1.312809063930593
Energy: 1.726307956859667
Energy: 1.3058986356127888
Energy: 1.7244381561475899
Energy: 1.4028373923353379
Energy: 1.7244381561470954
Energy: 1.3058986356122944
Energy: 1.7244381561475899

minimum gb energy = 1.3046336315910394 eV
minimum distance =  2.48810275847183 Angstroms
sigma value = 67


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

Energy: 0.39939224428588693
Energy: 0.40081256419592187
Energy: 2.661382554198826
Energy: 0.4008125641955839
Energy: 0.39939224428588693
Energy: 0.4008125641955839
Energy: 0.4339811857673835
Energy: 1.2199370491902521
Energy: 1.0402590342556137
Energy: 1.2199370491902521
Energy: 0.43398118576805944
Energy: 1.2199370491902521
Energy: 0.399392244285549
Energy: 0.4008125641965603
Energy: 2.6242672483621883
Energy: 0.40081256419592187
Energy: 0.399392244285549
Energy: 0.40081256419524597
Energy: 0.4339811857673835
Energy: 1.2199370491899517
Energy: 1.040259034255952
Energy: 1.2199370491899517
Energy: 0.43398118576805944
Energy: 1.2199370491902521
Energy: 0.399392244285549
Energy: 0.40081256419592187
Energy: 2.6242672483611744
Energy: 0.4008125641955839
Energy: 0.399392244285549
Energy: 0.4008125641955839
Energy: 0.433981185766745
Energy: 1.2199370491902521
Energy: 1.040259034255952
Energy: 1.2199370491892758
Energy: 0.43398118576772143
Energy: 1.2199370491902521
Energy: 0.399392244285211
Energy: 0.40081256419622235
Energy: 2.493123213549875
Energy: 0.4008125641955839
Energy: 0.399392244285211
Energy: 0.4008125641955839

minimum gb energy = 0.399392244285211 eV
minimum distance =  2.65493189011073 Angstroms
sigma value = 3


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

Energy: 2.148090918882976
Energy: 1.7373539129627755
Energy: 1.5662961355461784
Energy: 1.7373539129614672
Energy: 2.148090918881177
Energy: 1.737353912961876
Energy: 2.5820278857871464
Energy: 1.301428401719459
Energy: 1.3224887497759878
Energy: 1.301428401719459
Energy: 2.5820278857871464
Energy: 1.301428401719868
Energy: 2.022935900469545
Energy: 1.7121021142406638
Energy: 1.5532696710177012
Energy: 1.712102114242054
Energy: 2.022935900469545
Energy: 1.712102114242054
Energy: 2.4266691711823487
Energy: 1.5888938383254783
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Energy: 1.3232125824850232
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Energy: 1.8359610489581435
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Energy: 1.6842963449445345
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Energy: 1.6842963449441257
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Energy: 1.2858232664426779
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Energy: 1.6834476220963026
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Energy: 1.451047741266557
Energy: 1.6043461601608588
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Energy: 1.3436551964522538
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Energy: 1.7042273886657033
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Energy: 1.2862111460968475
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Energy: 2.0115000165407215
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Energy: 1.6892022996927476
Energy: 1.9976836982405495
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Energy: 1.616967336541536
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Energy: 1.6946673986321616
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Energy: 1.2858822998234474
Energy: 1.7142678471688282
Energy: 2.0137163864217875
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Energy: 2.010124859928195
Energy: 1.6994993363221236
Energy: 1.4581436095928095
Energy: 1.6994993363217146
Energy: 2.010124859928604
Energy: 1.6994993363217146
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Energy: 1.7100267151938386
Energy: 1.2840745624564007
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Energy: 2.039976242258764
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Energy: 2.0136937887447908
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Energy: 2.009636716803153
Energy: 1.6559384424236288
Energy: 1.2957222823109866
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Energy: 2.0096367168040525
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Energy: 1.64984353632954
Energy: 1.6968773387081741
Energy: 1.2842413854522534
Energy: 1.6968773387086649
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Energy: 1.7084730251285434
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Energy: 1.6268561177590102
Energy: 1.6450499607302027
Energy: 1.6361165335599481
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Energy: 1.6450499607311022
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Energy: 1.3553540854027744
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Energy: 1.623241064211593
Energy: 1.6559964616959324
Energy: 1.3065840032099871
Energy: 1.65337008384719
Energy: 1.6296146039495243
Energy: 1.6533700838462908
Energy: 1.3065840032094964
Energy: 1.6533700838467813
Energy: 1.617042459569222
Energy: 1.7091069125646492
Energy: 1.6819976573479922
Energy: 1.7091069125646492
Energy: 1.6170424595701218
Energy: 1.7091069125646492
Energy: 1.28819568300011
Energy: 1.561249804601352
Energy: 2.0050574386665327
Energy: 1.5612498046008616
Energy: 1.2881956829988017
Energy: 1.5612498045999623
Energy: 1.2856433109972718
Energy: 1.656294354164127
Energy: 1.7009661519995685
Energy: 1.6562943541637185
Energy: 1.2856433109972718
Energy: 1.656294354164127
Energy: 1.337426511017976
Energy: 1.5838984601539785
Energy: 2.000669733354113
Energy: 1.5838984601535693
Energy: 1.3374265110188754
Energy: 1.5838984601530788
Energy: 1.2842974941077132
Energy: 1.70867446196032
Energy: 2.0946907970015
Energy: 1.7086744619608107
Energy: 1.2842974941081222
Energy: 1.7086744619608107
Energy: 1.2884225252201962
Energy: 1.3014451551523838
Energy: 2.2421830548649044
Energy: 1.3014451551532833
Energy: 1.288422525219297
Energy: 1.3014451551527928
Energy: 1.3333299930644453
Energy: 1.7332907995925269
Energy: 2.119860557801283
Energy: 1.733290799592118
Energy: 1.333329993064936
Energy: 1.733290799592118
Energy: 1.3371519907179614
Energy: 1.3447782603192986
Energy: 2.2441653791524465
Energy: 1.3447782603219969
Energy: 1.3371519907170621
Energy: 1.3447782603219969
Energy: 1.353681627899709
Energy: 1.7087846850081887
Energy: 2.097214922080596
Energy: 1.7087846850086794
Energy: 1.3536816278993002
Energy: 1.7087846850081887
Energy: 1.288575952829275
Energy: 1.3295204658737942
Energy: 2.21460830084891
Energy: 1.3295204658733855
Energy: 1.2885759528297656
Energy: 1.3295204658737942
Energy: 1.3327648877990657
Energy: 1.6566640206341674
Energy: 1.7047789863787295
Energy: 1.6566640206336767
Energy: 1.3327648878004557
Energy: 1.6566640206341674
Energy: 1.332988671141093
Energy: 1.5708463526814496
Energy: 1.8372765316541673
Energy: 1.570846352680959
Energy: 1.332988671139703
Energy: 1.570846352680959
Energy: 1.6715044949218258
Energy: 1.648313850745792
Energy: 1.6821780794438441
Energy: 1.6483138507444839
Energy: 1.6715044949213353
Energy: 1.6483138507448927

minimum gb energy = 1.2840745624564007 eV
minimum distance =  2.45792320459661 Angstroms
sigma value = 81


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

Energy: 2.180187578346631
Energy: 1.9485199936498243
Energy: 1.7174067545574918
Energy: 1.9485199936516764
Energy: 2.1801875783472484
Energy: 1.9485199936516764
Energy: 2.5876333989738627
Energy: 1.4545545859378617
Energy: 1.4747577157851202
Energy: 1.4545545859378617
Energy: 2.5876333989750973
Energy: 1.4545545859378617
Energy: 2.1266439030531488
Energy: 1.9101625935602098
Energy: 1.8806761193280537
Energy: 1.9101625935602098
Energy: 2.1266439030531488
Energy: 1.9101625935595925
Energy: 2.088441938828893
Energy: 1.5498769556651835
Energy: 1.4593637597205635
Energy: 1.549876955666418
Energy: 2.0884419388282756
Energy: 1.5498769556658007
Energy: 1.6592783600877405
Energy: 1.8335787200081302
Energy: 1.5859123249821598
Energy: 1.8335787200093647
Energy: 1.6592783600877405
Energy: 1.8335787200093647
Energy: 1.8283903473534193
Energy: 1.8269571531143878
Energy: 1.5936527365537152
Energy: 1.8269571531143878
Energy: 1.828390347352802
Energy: 1.8269571531137707
Energy: 1.6118223174266748
Energy: 1.8255071282572901
Energy: 1.8405845392505509
Energy: 1.8255071282572901
Energy: 1.6118223174266748
Energy: 1.8255071282566728
Energy: 1.6117951808537034
Energy: 1.828145484405479
Energy: 1.6623707272568444
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Energy: 1.4590534023485116
Energy: 1.7096392336236692
Energy: 2.202574554069624
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Energy: 1.4590534023478945
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Energy: 1.6169010840322466
Energy: 1.900102225310163
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Energy: 1.6169010840316294
Energy: 1.9001022253107802
Energy: 1.441577247761895
Energy: 1.716730111968794
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Energy: 1.4793551227072552
Energy: 1.9071991613884558
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Energy: 1.4793551227072552
Energy: 1.9071991613884558
Energy: 1.430551041955467
Energy: 1.7731177452888693
Energy: 2.07104664975748
Energy: 1.773117745290104
Energy: 1.43055104195485
Energy: 1.773117745290104
Energy: 1.5406504388264266
Energy: 1.9000729949819188
Energy: 2.0512631780159367
Energy: 1.9000729949831532
Energy: 1.5406504388264266
Energy: 1.9000729949831532
Energy: 1.5411276266645775
Energy: 1.7764027776073494
Energy: 2.037570889177877
Energy: 1.7764027776067322
Energy: 1.5411276266645775
Energy: 1.7764027776067322
Energy: 1.5500916478813207
Energy: 1.9074750131680993
Energy: 1.6647472526978544
Energy: 1.9074750131687166
Energy: 1.550091647881938
Energy: 1.9074750131687166
Energy: 1.550736212290255
Energy: 1.8283751981238319
Energy: 1.7854468475023353
Energy: 1.8283751981250667
Energy: 1.5507362122921067
Energy: 1.8283751981250667
Energy: 2.0277527561595674
Energy: 1.8797096098561334
Energy: 1.620707051233041
Energy: 1.879709609854282
Energy: 2.0277527561589506
Energy: 1.879709609854282
Energy: 2.028251357201159
Energy: 1.9064240811379096
Energy: 1.5410578879911963
Energy: 1.9064240811379096
Energy: 2.0282513572017766
Energy: 1.9064240811372926
Energy: 2.0490407652928373
Energy: 1.907187729042512
Energy: 1.4581432531287477
Energy: 1.907187729041895
Energy: 2.049040765294072
Energy: 1.9071877290431296
Energy: 2.0493096923694245
Energy: 1.9021909050559573
Energy: 1.6584715113747894
Energy: 1.902190905057192
Energy: 2.0493096923688072
Energy: 1.902190905057192
Energy: 2.588540742702133
Energy: 1.811085520653714
Energy: 1.441262378129215
Energy: 1.8110855206530967
Energy: 2.5885407427027505
Energy: 1.811085520653714
Energy: 2.4686299146160864
Energy: 1.8727931309380772
Energy: 1.4415578004652685
Energy: 1.8727931309362253
Energy: 2.4686299146167037
Energy: 1.8727931309362253
Energy: 2.049173679209907
Energy: 1.902530523947674
Energy: 1.7919545989895889
Energy: 1.9025305239482913
Energy: 2.049173679209907
Energy: 1.9025305239482913
Energy: 2.0491006027825724
Energy: 1.9071767395398196
Energy: 1.4576380651099452
Energy: 1.9071767395410544
Energy: 2.0491006027825724
Energy: 1.9071767395404366
Energy: 2.027938461113135
Energy: 1.9054321191900718
Energy: 1.5412309555257426
Energy: 1.9054321191894548
Energy: 2.027938461113135
Energy: 1.9054321191900718
Energy: 2.0295406788879213
Energy: 1.8796762306611041
Energy: 1.6221866095189466
Energy: 1.8796762306617214
Energy: 2.0295406788879213
Energy: 1.8796762306598698
Energy: 1.5505364588483217
Energy: 1.828581532802854
Energy: 2.048648688265175
Energy: 1.828581532802854
Energy: 1.5505364588483217
Energy: 1.8285815328034714
Energy: 1.5502305306099393
Energy: 1.9072638168990284
Energy: 1.6679630298822687
Energy: 1.9072638168965597
Energy: 1.5502305306099393
Energy: 1.9072638168959424
Energy: 1.5409048262000091
Energy: 1.7764027776067322
Energy: 1.9368061911859549
Energy: 1.7764027776079667
Energy: 1.540904826199392
Energy: 1.7764027776073494
Energy: 1.540759395142597
Energy: 1.9002396926521685
Energy: 2.050708659275965
Energy: 1.9002396926546377
Energy: 1.540759395142597
Energy: 1.9002396926546377
Energy: 1.4306241214182214
Energy: 1.7967955544778815
Energy: 2.459748080499763
Energy: 1.7967955544784986
Energy: 1.4306241214176043
Energy: 1.7967955544791159
Energy: 1.4750261262504227
Energy: 1.9073784686467747
Energy: 2.016028213480343
Energy: 1.9073784686461577
Energy: 1.4750261262498054
Energy: 1.9073784686467747
Energy: 1.4419115849867699
Energy: 1.526792761176028
Energy: 2.207385419889883
Energy: 1.526792761176028
Energy: 1.4419115849855357
Energy: 1.526792761176028
Energy: 1.6169010840316294
Energy: 1.8994137612236797
Energy: 2.050791345005488
Energy: 1.8994137612236797
Energy: 1.6169010840310123
Energy: 1.8994137612236797
Energy: 1.4588538241099231
Energy: 1.622535654534271
Energy: 2.330179433538522
Energy: 1.622535654534271
Energy: 1.4588538241105404
Energy: 1.6225356545348881
Energy: 1.6108306469918163
Energy: 1.827165777973254
Energy: 1.6704506574142575
Energy: 1.827165777973254
Energy: 1.6108306469911993
Energy: 1.827165777972637
Energy: 1.6117946440186712
Energy: 1.8279743811822398
Energy: 1.8195837532636363
Energy: 1.827974381182857
Energy: 1.6117946440186712
Energy: 1.827974381182857

minimum gb energy = 1.43055104195485 eV
minimum distance =  2.39449950726676 Angstroms
sigma value = 43


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

Energy: 2.2005208746613594
Energy: 2.0756645746603826
Energy: 1.5200298535527
Energy: 2.0756645746603826
Energy: 2.2005208746613594
Energy: 2.0756645746603826
Energy: 2.4672563009409076
Energy: 1.5842809994293579
Energy: 1.581154250103309
Energy: 1.5842809994285996
Energy: 2.4672563009409076
Energy: 1.5842809994293579
Energy: 1.6841113380486032
Energy: 1.9549997049108403
Energy: 1.8344352262929606
Energy: 1.9549997049100822
Energy: 1.6841113380486032
Energy: 1.9549997049100822
Energy: 2.13824496848947
Energy: 1.5693467425447252
Energy: 1.533642146270762
Energy: 1.5693467425447252
Energy: 2.13824496848947
Energy: 1.5693467425447252
Energy: 1.6044181926969998
Energy: 1.9563715540019913
Energy: 1.7412492911843611
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Energy: 1.6044181926969998
Energy: 1.9563715540019913
Energy: 1.6039044947039323
Energy: 1.959606244013083
Energy: 1.617396176244301
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Energy: 1.6039044947031742
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Energy: 1.5341579603499178
Energy: 1.7598088327867287
Energy: 1.8761068941119892
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Energy: 1.5341579603499178
Energy: 1.7598088327867287
Energy: 1.6741300176374065
Energy: 1.9553248180692298
Energy: 1.6975376305755168
Energy: 1.9553248180692298
Energy: 1.6741300176366483
Energy: 1.9553248180692298
Energy: 1.5204497716632865
Energy: 1.7534447785881768
Energy: 2.3304204423830934
Energy: 1.7534447785881768
Energy: 1.5204497716632865
Energy: 1.7534447785881768
Energy: 1.59876473689192
Energy: 2.0272786809962047
Energy: 2.146731551184414
Energy: 2.0272786809962047
Energy: 1.59876473689192
Energy: 2.0272786809962047
Energy: 1.5340994709480946
Energy: 2.027663307913068
Energy: 1.876195033354393
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Energy: 1.5340994709480946
Energy: 2.027663307913068
Energy: 1.5215929429593087
Energy: 1.9553884373242343
Energy: 1.6968724923721092
Energy: 1.9553884373242343
Energy: 1.5215929429593087
Energy: 1.9553884373242343
Energy: 1.520135247688766
Energy: 1.5211169340714326
Energy: 1.9987826686676948
Energy: 1.5211169340714326
Energy: 1.520135247688766
Energy: 1.5211169340721908
Energy: 1.5349174454408219
Energy: 2.0267933962646847
Energy: 1.6048078781532678
Energy: 2.026793396265443
Energy: 1.53491744544158
Energy: 2.026793396265443
Energy: 1.5337931256103836
Energy: 1.9657191851404947
Energy: 1.519878356733452
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Energy: 1.5337931256103836
Energy: 1.9657191851404947
Energy: 2.1096416726033955
Energy: 1.7566548274929152
Energy: 1.5341965845098127
Energy: 1.7566548274921567
Energy: 2.1096416726041536
Energy: 1.7566548274921567
Energy: 2.1087177357470495
Energy: 1.9494147140064195
Energy: 1.8148900475076573
Energy: 1.9494147140056615
Energy: 2.1087177357470495
Energy: 1.9494147140064195
Energy: 2.145894398385825
Energy: 2.026458804904683
Energy: 1.5200863982851522
Energy: 2.0264588049054417
Energy: 2.145894398385825
Energy: 2.026458804904683
Energy: 2.1453474579826692
Energy: 2.026907018079635
Energy: 1.5202850180848004
Energy: 2.026907018079635
Energy: 2.145347457984186
Energy: 2.026907018079635
Energy: 2.110041922016218
Energy: 2.0533246582582056
Energy: 1.5338142160333497
Energy: 2.0533246582582056
Energy: 2.110041922016218
Energy: 2.0533246582589637
Energy: 2.108488497171243
Energy: 2.0817424310385224
Energy: 1.5824634352323537
Energy: 2.0817424310385224
Energy: 2.108488497171243
Energy: 2.0817424310385224
Energy: 1.5355232881264338
Energy: 1.9664606383442007
Energy: 1.519770960165871
Energy: 1.9664606383442007
Energy: 1.535523288127192
Energy: 1.9664606383434422
Energy: 1.533570111941679
Energy: 2.026025303462825
Energy: 1.5347886437484894
Energy: 2.026025303462825
Energy: 1.533570111941679
Energy: 2.026025303462825
Energy: 1.52266209562223
Energy: 1.970563418060139
Energy: 1.5336771607482529
Energy: 1.970563418060139
Energy: 1.52266209562223
Energy: 1.970563418060139
Energy: 1.5198088266827456
Energy: 2.081286118638621
Energy: 1.6660005172994978
Energy: 2.081286118638621
Energy: 1.5198088266827456
Energy: 2.081286118638621
Energy: 1.5354766744777457
Energy: 2.026505091786461
Energy: 2.1218221762913045
Energy: 2.026505091786461
Energy: 1.535476674478504
Energy: 2.026505091787219
Energy: 1.600329433102322
Energy: 2.026148758510036
Energy: 2.1477074976653925
Energy: 2.0261487585107942
Energy: 1.600329433102322
Energy: 2.0261487585107942
Energy: 1.5228383720412761
Energy: 2.027600093843324
Energy: 1.9331592378729086
Energy: 2.027600093842566
Energy: 1.5228383720412761
Energy: 2.027600093843324
Energy: 1.674063376280306
Energy: 1.9521303274349826
Energy: 1.6658080271069717
Energy: 1.9521303274349826
Energy: 1.674063376280306
Energy: 1.9521303274357404
Energy: 1.5358866914249478
Energy: 1.759154246765084
Energy: 1.876978166074773
Energy: 1.759154246765084
Energy: 1.5358866914249478
Energy: 1.759154246765084
Energy: 1.5803520561116056
Energy: 1.9645839055287668
Energy: 1.534995026911138
Energy: 1.9645839055287668
Energy: 1.580352056112364
Energy: 1.9645839055287668

minimum gb energy = 1.519770960165871 eV
minimum distance =  2.41501852692613 Angstroms
sigma value = 57


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

Energy: 1.8472719063580916
Energy: 2.155351420503965
Energy: 1.6530050294390628
Energy: 2.155351420502983
Energy: 1.8472719063571097
Energy: 2.155351420502983
Energy: 2.128071030943635
Energy: 1.7422701148089617
Energy: 1.729795936437226
Energy: 1.7422701148089617
Energy: 2.128071030944617
Energy: 1.7422701148089617
Energy: 1.7375427181237966
Energy: 2.151890490568619
Energy: 1.6525571626569524
Energy: 2.151890490569601
Energy: 1.7375427181237966
Energy: 2.151890490568619
Energy: 1.737074874973176
Energy: 1.654062695969641
Energy: 1.7285243154475805
Energy: 1.654062695969641
Energy: 1.737074874973176
Energy: 1.6540626959686595
Energy: 1.6744087451473777
Energy: 1.7295336308374745
Energy: 1.9478967938666765
Energy: 1.7295336308374745
Energy: 1.6744087451463963
Energy: 1.7295336308364928
Energy: 1.7070932559160754
Energy: 2.146188533759979
Energy: 1.7390591354620095
Energy: 2.1461885337589974
Energy: 1.7070932559160754
Energy: 2.1461885337589974
Energy: 1.6519723727369378
Energy: 1.92775244016981
Energy: 2.127752163737791
Energy: 1.92775244016981
Energy: 1.6519723727369378
Energy: 1.92775244016981
Energy: 1.73513796328075
Energy: 2.146375670428072
Energy: 1.846422947671861
Energy: 2.146375670428072
Energy: 1.7351379632797685
Energy: 2.146375670428072
Energy: 1.6745246021816966
Energy: 1.7433112688546524
Energy: 1.8996024685169992
Energy: 1.7433112688546524
Energy: 1.6745246021816966
Energy: 1.7433112688536707
Energy: 1.6519426641240638
Energy: 2.165835787655267
Energy: 1.7389443040182673
Energy: 2.1658357876542857
Energy: 1.6519426641240638
Energy: 2.1658357876542857
Energy: 1.6517365909920805
Energy: 1.6528092492021456
Energy: 1.6521436779111376
Energy: 1.6528092492021456
Energy: 1.6517365909930621
Energy: 1.652809249203127
Energy: 1.6743301899536214
Energy: 1.9402683405913124
Energy: 1.7281715078116497
Energy: 1.9402683405922942
Energy: 1.6743301899536214
Energy: 1.9402683405913124
Energy: 1.6743366069057506
Energy: 2.1484775362403488
Energy: 1.6943416560670923
Energy: 2.1484775362403488
Energy: 1.6743366069067322
Energy: 2.148477536239367
Energy: 2.0671601691485524
Energy: 2.194846326500531
Energy: 1.6518834305662562
Energy: 2.194846326500531
Energy: 2.067160169149534
Energy: 2.194846326500531
Energy: 2.4682907354713577
Energy: 2.147269364420658
Energy: 1.6990202456051153
Energy: 2.147269364420658
Energy: 2.468290735470376
Energy: 2.147269364420658
Energy: 1.6744100384971214
Energy: 2.146430805820892
Energy: 1.6754180874143099
Energy: 2.146430805821873
Energy: 1.6744100384971214
Energy: 2.146430805821873
Energy: 1.6742038540564255
Energy: 1.9420904303369124
Energy: 1.6517133449255204
Energy: 1.9420904303369124
Energy: 1.6742038540564255
Energy: 1.9420904303359308
Energy: 1.65178972044575
Energy: 1.9718998333511224
Energy: 1.6520511784649263
Energy: 1.9718998333511224
Energy: 1.6517897204467313
Energy: 1.9718998333511224
Energy: 1.6516996776986
Energy: 1.9420265800068184
Energy: 1.6742256595459624
Energy: 1.9420265800068184
Energy: 1.6516996776986
Energy: 1.9420265800068184
Energy: 1.6749612847290491
Energy: 2.1461267164540447
Energy: 1.674584845782127
Energy: 2.1461267164540447
Energy: 1.6749612847290491
Energy: 2.1461267164540447
Energy: 1.698829026463573
Energy: 2.1477716704431793
Energy: 2.4682786509641628
Energy: 2.1477716704421974
Energy: 1.6988290264655364
Energy: 2.1477716704412155
Energy: 1.6518616242034252
Energy: 1.9274691861030864
Energy: 2.06746575732532
Energy: 1.9274691861030864
Energy: 1.6518616242024435
Energy: 1.9274691861030864
Energy: 1.7407661231716702
Energy: 2.148533600063136
Energy: 1.6743272472541655
Energy: 2.148533600063136
Energy: 1.7407661231716702
Energy: 2.148533600064118
Energy: 1.728018485937959
Energy: 1.9400508664826062
Energy: 1.6744423705944276
Energy: 1.9400508664835878
Energy: 1.728018485937959
Energy: 1.9400508664835878

minimum gb energy = 1.6516996776986 eV
minimum distance =  2.41446412172459 Angstroms
sigma value = 17


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

Energy: 1.8381591289538006
Energy: 1.8391218195630485
Energy: 2.731525393354786
Energy: 1.8391218195630485
Energy: 1.8381591289538006
Energy: 1.8391218195630485
Energy: 1.8475615333669309
Energy: 1.829604508725057
Energy: 1.8313023649528488
Energy: 1.829604508726445
Energy: 1.8475615333669309
Energy: 1.829604508726445
Energy: 1.82931116967413
Energy: 1.8293957839746493
Energy: 2.186848057655262
Energy: 1.8293957839746493
Energy: 1.82931116967413
Energy: 1.8293957839746493
Energy: 1.8995018120355098
Energy: 1.8283171609482127
Energy: 1.8265420717985401
Energy: 1.8283171609482127
Energy: 1.8995018120355098
Energy: 1.8283171609482127
Energy: 1.8277917334606686
Energy: 1.8299963941221227
Energy: 1.829998462534109
Energy: 1.829996394123511
Energy: 1.8277917334606686
Energy: 1.829996394123511
Energy: 1.8280768828312268
Energy: 1.8367087155005906
Energy: 1.8354122455692727
Energy: 1.8367087155005906
Energy: 1.8280768828284824
Energy: 1.8367087155005906
Energy: 1.8371489932872163
Energy: 2.0472536458059314
Energy: 1.8471211667266765
Energy: 2.0472536458045427
Energy: 1.8371489932872163
Energy: 2.0472536458059314
Energy: 1.8275184645319549
Energy: 2.1622508273572993
Energy: 1.8267369054297555
Energy: 2.1622508273586876
Energy: 1.8275184645319549
Energy: 2.1622508273586876
Energy: 1.8276702893212482
Energy: 1.8288062069752749
Energy: 2.014512615637782
Energy: 1.8288062069752749
Energy: 1.8276702893212482
Energy: 1.8288062069752749
Energy: 1.8375963750625137
Energy: 1.8070167219374695
Energy: 1.8314760665784129
Energy: 1.8070167219374695
Energy: 1.8375963750639017
Energy: 1.8070167219374695
Energy: 1.8370229779273268
Energy: 2.1581833137148467
Energy: 1.830558037993463
Energy: 2.1581833137148467
Energy: 1.8370229779273268
Energy: 2.1581833137134585
Energy: 1.8286379169066924
Energy: 1.8309664282322098
Energy: 1.8450489703256399
Energy: 1.8309664282322098
Energy: 1.8286379169066924
Energy: 1.8309664282322098
Energy: 1.8277390564571936
Energy: 2.0719289190960204
Energy: 1.8293917952581458
Energy: 2.0719289190960204
Energy: 1.8277390564571936
Energy: 2.0719289190960204
Energy: 1.8300495639480427
Energy: 1.828960043972445
Energy: 1.8358596900353021
Energy: 1.8289600439710567
Energy: 1.8300495639480427
Energy: 1.828960043972445
Energy: 1.836241773676426
Energy: 2.1457922361589454
Energy: 1.836519208329261
Energy: 2.145792236157557
Energy: 1.836241773676426
Energy: 2.1457922361589454
Energy: 1.8431304850898895
Energy: 2.159807286040984
Energy: 1.8442830455040222
Energy: 2.159807286040984
Energy: 1.8431304850898895
Energy: 2.159807286040984
Energy: 1.8295865196352108
Energy: 1.8305547267983788
Energy: 1.828152514237301
Energy: 1.8305547267983788
Energy: 1.829586519636599
Energy: 1.8305547267983788

minimum gb energy = 1.8070167219374695 eV
minimum distance =  2.43759734483833 Angstroms
sigma value = 17


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

Energy: 2.427792857206348
Energy: 2.4332407367128512
Energy: 2.3261507795604572
Energy: 2.4332407367133873
Energy: 2.427792857206348
Energy: 2.4332407367133873
Energy: 2.233399495753988
Energy: 1.8630271309903712
Energy: 1.8454420807133727
Energy: 1.8630271309909072
Energy: 2.2333994957534515
Energy: 1.863027130989835
Energy: 1.845931848899817
Energy: 1.9509500918942575
Energy: 2.2241667190841223
Energy: 1.9509500918921132
Energy: 1.8459318488992809
Energy: 1.9509500918931852
Energy: 1.8623589995330843
Energy: 2.2491486359241475
Energy: 1.9520519189742536
Energy: 2.2491486359246835
Energy: 1.8623589995368368
Energy: 2.249148635923612
Energy: 1.842676043579234
Energy: 1.9089903790972302
Energy: 2.2672257709963892
Energy: 1.9089903790983025
Energy: 1.84267604357977
Energy: 1.9089903790983025
Energy: 2.008151949597068
Energy: 2.259981597314119
Energy: 1.982191247894158
Energy: 2.259981597311974
Energy: 2.008151949599212
Energy: 2.2599815973135824
Energy: 1.8478078202182702
Energy: 1.972309470172644
Energy: 2.252615391697569
Energy: 1.97230947017318
Energy: 1.8478078202182702
Energy: 1.9723094701737163
Energy: 2.2149789434958533
Energy: 2.054628388747204
Energy: 1.8421878688470592
Energy: 2.0546283887466674
Energy: 2.2149789434953178
Energy: 2.0546283887466674
Energy: 1.9832427889085535
Energy: 2.260950901022482
Energy: 1.86356333750868
Energy: 2.260950901026235
Energy: 1.9832427889090898
Energy: 2.260950901025163
Energy: 2.4602527122075784
Energy: 1.9112559097588202
Energy: 1.8501248001419919
Energy: 1.9112559097588202
Energy: 2.4602527122070423
Energy: 1.9112559097588202
Energy: 1.9533248358169806
Energy: 2.334867207006855
Energy: 1.9839478179206016
Energy: 2.3348672070052463
Energy: 1.9533248358164446
Energy: 2.334867207006319
Energy: 1.8672105503972702
Energy: 2.2669886885862676
Energy: 1.8621940425260777
Energy: 2.2669886878902323
Energy: 1.8672105503972702
Energy: 2.266988688304432
Energy: 1.8515422580047247
Energy: 2.065426567782629
Energy: 2.4781409256016813
Energy: 2.0654265677820924
Energy: 1.8515422580047247
Energy: 2.0654265677831645
Energy: 1.8636982077558812
Energy: 2.499648789146952
Energy: 2.427659299359169
Energy: 2.4996487891464154
Energy: 1.8636982077553452
Energy: 2.4996487891464154
Energy: 1.8598777426809099
Energy: 2.572567600003902
Energy: 1.9496609319503673
Energy: 2.572567600003366
Energy: 1.8598777426782294
Energy: 2.572567600003902
Energy: 1.9527261743580155
Energy: 2.382758695821494
Energy: 1.8623176370489976
Energy: 2.382758695820422
Energy: 1.9527261743580155
Energy: 2.44008227307704
Energy: 1.9676443506458081
Energy: 2.4261922045309885
Energy: 1.8420768580398608
Energy: 2.4261922045315245
Energy: 1.967644350645272
Energy: 2.4261922045309885
Energy: 2.436829915099694
Energy: 2.217228077739689
Energy: 1.8580149565119914
Energy: 2.217228077650747
Energy: 2.436829915100766
Energy: 2.2172280777825755
Energy: 2.4229979660019265
Energy: 2.184319893731775
Energy: 1.8416534021151827
Energy: 2.1843198937307036
Energy: 2.4229979660019265
Energy: 2.184319893728023
Energy: 1.8416796418495196
Energy: 2.6027743656688505
Energy: 1.8412646928751113
Energy: 2.602774365667242
Energy: 1.8416796418500556
Energy: 2.602774365666706
Energy: 1.8418128385229364
Energy: 2.1846889265592226
Energy: 2.1968333958840898
Energy: 2.18468892655815
Energy: 1.8418128385224006
Energy: 2.184688926558686
Energy: 1.858002973701696
Energy: 2.2168189615056657
Energy: 2.4451511369238395
Energy: 2.216818961504057
Energy: 1.858002973700624
Energy: 2.2168189615019127
Energy: 1.8620559198665907
Energy: 2.4239294161900675
Energy: 1.9673883889913717
Energy: 2.4239294161911396
Energy: 1.8620559198671267
Energy: 2.4239294161911396
Energy: 1.8621985395940412
Energy: 2.334119250421819
Energy: 1.954880942401959
Energy: 2.3341192504110975
Energy: 1.8621985395940412
Energy: 2.3341192503832207
Energy: 1.950664585296753
Energy: 2.5725411228623236
Energy: 1.8651317018790272
Energy: 2.5725411228623236
Energy: 1.9506645852978253
Energy: 2.5725411228623236
Energy: 2.428313969073061
Energy: 2.499635949808349
Energy: 1.8635453602930765
Energy: 2.499635949808885
Energy: 2.4283139690735966
Energy: 2.4996359498094205
Energy: 2.4789019294286914
Energy: 2.060436473839285
Energy: 1.8519137856079082
Energy: 2.060436473817305
Energy: 2.4789019294303003
Energy: 2.060436473788941
Energy: 1.8622137381938622
Energy: 2.2609401423598703
Energy: 1.866754841394857
Energy: 2.2609401423609428
Energy: 1.8622137381933261
Energy: 2.2609401423587983
Energy: 1.9827909196987274
Energy: 2.338190084374096
Energy: 1.9534537236778393
Energy: 2.3381900843724877
Energy: 1.9827909196992635
Energy: 2.338190084374096
Energy: 1.8501469879775
Energy: 1.9112559097588202
Energy: 2.460085063550667
Energy: 1.9112559097593562
Energy: 1.8501469879775
Energy: 1.9112559097593562
Energy: 1.8639535937046676
Energy: 2.260951552699116
Energy: 1.9833929213468573
Energy: 2.260951552697508
Energy: 1.8639535937046676
Energy: 2.260951552697508
Energy: 1.8421896219311207
Energy: 2.051641352660522
Energy: 2.2148472328186246
Energy: 2.0516413536448748
Energy: 1.8421896219311207
Energy: 2.05164135056647
Energy: 2.2531588052499267
Energy: 1.9717451156606352
Energy: 1.8478101331789023
Energy: 1.9717451156616588
Energy: 2.2531588052499267
Energy: 1.971745115659563
Energy: 1.9820867760833507
Energy: 2.2593521053366694
Energy: 2.006957039993534
Energy: 2.259352105336133
Energy: 1.9820867760822787
Energy: 2.259352105336133
Energy: 2.2675358323227397
Energy: 1.908990379100983
Energy: 1.8426550605366825
Energy: 1.908990379100983
Energy: 2.2675358323222037
Energy: 1.908990379100983
Energy: 1.9521339574145549
Energy: 2.2507928689595103
Energy: 1.8619055904315986
Energy: 2.250792868958438
Energy: 1.9521339574161631
Energy: 2.2507928689605823
Energy: 2.2242008470061587
Energy: 1.9491430184002638
Energy: 1.8454934587125795
Energy: 1.9491430184007998
Energy: 2.2242008470072308
Energy: 1.9491430184002638
Energy: 1.8454353543355924
Energy: 1.8627049096303985
Energy: 2.233314932602774
Energy: 1.8627049096309345
Energy: 1.8454353543366644
Energy: 1.8627049096309345
Energy: 2.253457631597262
Energy: 2.4332407367128512
Energy: 2.427792857206348
Energy: 2.4332407367133873
Energy: 2.253457631598334
Energy: 2.4332407367128512
Energy: 1.8454420807133727
Energy: 1.8630271309914432
Energy: 2.2333994957529155
Energy: 1.8630271309909072
Energy: 1.845442080713909
Energy: 1.8630271309909072
Energy: 2.2241667190809054
Energy: 1.9509500918905047
Energy: 1.8459318489008893
Energy: 1.9509500918931852
Energy: 2.2241667190819774
Energy: 1.9509500918915772
Energy: 1.9520519189747894
Energy: 2.24914863592522
Energy: 1.8623589995378602
Energy: 2.249148635923075
Energy: 1.9520519189747894
Energy: 2.2491486359246835
Energy: 2.267225770997462
Energy: 1.9089903790983025
Energy: 1.84267604357977
Energy: 1.9089903790988383
Energy: 2.267225770997462
Energy: 1.9089903790983025

minimum gb energy = 1.8412646928751113 eV
minimum distance =  2.41384921073968 Angstroms
sigma value = 57


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

Energy: 1.9951743227539465
Energy: 2.4119524592183965
Energy: 2.346017986985212
Energy: 2.4119524592183965
Energy: 1.9951743227539465
Energy: 2.411952459219269
Energy: 1.9936187896925204
Energy: 1.8231152578652314
Energy: 1.8229896318151138
Energy: 1.823115257866977
Energy: 1.9936187896925204
Energy: 1.823115257866977
Energy: 1.8049310670152336
Energy: 1.9937224592176348
Energy: 2.2177177006482514
Energy: 1.9937224592115244
Energy: 1.8049310670152336
Energy: 1.993722459215016
Energy: 2.124428988644453
Energy: 1.9609090167563021
Energy: 1.9599221096301611
Energy: 1.960909016755429
Energy: 2.124428988644453
Energy: 1.9609090167563021
Energy: 1.811379346407075
Energy: 1.8952863962401503
Energy: 2.0772847174171054
Energy: 1.8952863962410231
Energy: 1.8113793464053296
Energy: 1.8952863962410231
Energy: 1.9944409330774984
Energy: 1.9602948056851377
Energy: 1.960151884564682
Energy: 1.9602948056860106
Energy: 1.994440933238981
Energy: 1.9602948056860106
Energy: 1.8113513758958784
Energy: 1.9844592048823473
Energy: 1.8216199392452495
Energy: 1.9844592048814744
Energy: 1.8113513758967512
Energy: 1.9844592048823473
Energy: 1.80521365337927
Energy: 1.8913126850148247
Energy: 1.8230400179568347
Energy: 1.8913126850174435
Energy: 1.8052136533705412
Energy: 1.8913126850165705
Energy: 1.9976478463378982
Energy: 2.4507828076902296
Energy: 1.8208031110954213
Energy: 2.450782807687611
Energy: 1.997647846338771
Energy: 2.4507828076902296
Energy: 1.9858524613797863
Energy: 1.8231202865934093
Energy: 1.8388986516071433
Energy: 1.8231202865934093
Energy: 1.9858524613780402
Energy: 1.8231202865942826
Energy: 1.8112409372504152
Energy: 2.1282040763899888
Energy: 1.963939694911049
Energy: 2.1282040763926076
Energy: 1.8112409372495426
Energy: 2.1282040763926076
Energy: 1.895519448784524
Energy: 1.9644704973928977
Energy: 1.9659866727756659
Energy: 1.9644704973885332
Energy: 1.895519448785318
Energy: 1.9644704973885332
Energy: 1.81532689015819
Energy: 2.264846271680138
Energy: 1.9607884771948747
Energy: 2.264846271674028
Energy: 1.815326890161682
Energy: 2.264846271675774
Energy: 1.9910845488911564
Energy: 2.3034836838980324
Energy: 1.966752644067636
Energy: 2.3034836839023973
Energy: 1.9910845488911564
Energy: 2.3034836839015242
Energy: 1.8042960357019922
Energy: 1.9841436853230532
Energy: 1.820795437178171
Energy: 1.984143685324799
Energy: 1.8042960357002464
Energy: 1.9841436853256718
Energy: 2.353897353448147
Energy: 2.237551975330348
Energy: 1.8385716719149885
Energy: 2.2375519753329667
Energy: 2.3538973534944096
Energy: 2.2375519753329667
Energy: 2.0078048281981755
Energy: 2.5084498020149026
Energy: 1.8216421926731137
Energy: 2.508449802016648
Energy: 2.0078048281973024
Energy: 2.5084498020175214
Energy: 1.9810679183925088
Energy: 1.984777602136259
Energy: 1.8218605113094033
Energy: 1.9847776021353862
Energy: 1.9810679183925088
Energy: 1.9847776021397507
Energy: 1.8045822855893725
Energy: 2.1304292803308984
Energy: 1.9609945424655948
Energy: 2.1304292803300258
Energy: 1.8045822855858813
Energy: 2.1304292803308984
Energy: 1.9862119165493937
Energy: 2.526644909639029
Energy: 1.9789830386484948
Energy: 2.5266449096381565
Energy: 1.9862119165502665
Energy: 2.5266449096381565
Energy: 1.8101037833415936
Energy: 2.2637858091352974
Energy: 1.9613287357756208
Energy: 2.2637858091352974
Energy: 1.8101037833442124
Energy: 2.263785809133552
Energy: 1.8044484930952827
Energy: 2.1301197324281693
Energy: 1.9804320037349923
Energy: 2.1301197325975076
Energy: 1.8044484930970284
Energy: 2.130119732203126
Energy: 1.8039642438414827
Energy: 1.9871231402684248
Energy: 1.8210691046936462
Energy: 1.9871231402684248
Energy: 1.8039642438414827
Energy: 1.9871231402649332
Energy: 2.0172522390908743
Energy: 2.5225422115861442
Energy: 1.8214388192286644
Energy: 2.5225422115887626
Energy: 2.017252239090001
Energy: 2.5225422115896357
Energy: 2.0293808048117583
Energy: 2.276901466265445
Energy: 1.821664637224125
Energy: 2.276901466262826
Energy: 2.0293808048135036
Energy: 2.276901466265445
Energy: 1.803989621827786
Energy: 1.9858649614958621
Energy: 1.8200717519019913
Energy: 1.985864961494116
Energy: 1.8039896218304041
Energy: 1.9858649614932435
Energy: 1.8045247876492498
Energy: 2.1331993745428965
Energy: 1.9716004583930786
Energy: 2.1331993745437696
Energy: 1.8045247876492498
Energy: 2.1331993745446423

minimum gb energy = 1.8039642438414827 eV
minimum distance =  2.35864878735878 Angstroms
sigma value = 43


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

Energy: 2.0433610403755376
Energy: 2.37484931809017
Energy: 2.3964662000622945
Energy: 2.374849318090806
Energy: 2.0433610403755376
Energy: 2.3748493180895336
Energy: 2.0194460062071897
Energy: 1.8609074421452791
Energy: 1.8300853152113137
Energy: 1.8609074421452791
Energy: 2.0194460062097335
Energy: 1.8609074421459155
Energy: 1.8293356127289537
Energy: 2.009227764563432
Energy: 2.1047795968780627
Energy: 2.009227764561524
Energy: 1.8293356127289537
Energy: 2.0092277645621603
Energy: 2.3544761000078664
Energy: 2.3453680180794887
Energy: 1.9876041917304095
Energy: 2.3453680180820324
Energy: 2.354476100006594
Energy: 2.3453680180801246
Energy: 1.8468740672822508
Energy: 1.9360033022309604
Energy: 2.0804489664418244
Energy: 1.936003302218877
Energy: 1.8468740672828867
Energy: 1.9360033022296883
Energy: 2.334238454594466
Energy: 1.978473373404611
Energy: 1.845615536343799
Energy: 1.978473373403975
Energy: 2.33423845459383
Energy: 1.978473373403975
Energy: 1.8495941847616855
Energy: 1.9780285712489212
Energy: 1.858942221499968
Energy: 1.9780285712495573
Energy: 1.8495941847610495
Energy: 1.9780285712495573
Energy: 2.0986151348954936
Energy: 1.9320761266133382
Energy: 1.8463682572194788
Energy: 1.9320761266127024
Energy: 2.0986151348954936
Energy: 1.9320761266127024
Energy: 1.9891914097326988
Energy: 2.345733906435504
Energy: 2.3595819108986325
Energy: 2.3457339064342317
Energy: 1.9891914097326988
Energy: 2.3457339064342317
Energy: 2.1959041263711274
Energy: 2.0106536122852274
Energy: 1.830150488822086
Energy: 2.0106536122864993
Energy: 2.19590412636922
Energy: 2.0106536122858634
Energy: 1.8332034622150788
Energy: 1.9133011682134624
Energy: 2.3547716305892585
Energy: 1.9133011682134624
Energy: 1.8332034622150788
Energy: 1.9133011682128263
Energy: 1.86036038826811
Energy: 2.5477536432120407
Energy: 2.0475852023249215
Energy: 2.5477536432120407
Energy: 1.8603603882674735
Energy: 2.5477536432120407
Energy: 1.829050824023181
Energy: 1.8581630888919929
Energy: 2.0267988157328336
Energy: 1.8581630888919929
Energy: 1.829050824023181
Energy: 1.8581630888919929
Energy: 1.9904214009898935
Energy: 2.1011147283129947
Energy: 1.8300592133832805
Energy: 2.1011147283136307
Energy: 1.9904214009898935
Energy: 2.101114728312359
Energy: 1.9970145506553887
Energy: 2.312980887568441
Energy: 1.8870577043131103
Energy: 2.3129735034630294
Energy: 1.9970145506553887
Energy: 2.3129735351037186
Energy: 1.9787621029136806
Energy: 2.020462446002854
Energy: 1.844570593046802
Energy: 2.020462446002854
Energy: 1.9787621029136806
Energy: 2.02046244600349
Energy: 1.844932254332517
Energy: 2.1207327249467043
Energy: 1.9913246589701843
Energy: 2.1207327252957424
Energy: 1.844932254332517
Energy: 2.1207327250579433
Energy: 1.857176076697442
Energy: 1.9794508699739806
Energy: 1.8445732129976664
Energy: 1.9794508699727085
Energy: 1.857176076696806
Energy: 1.9794508699733444
Energy: 1.868928275460798
Energy: 2.079018083863274
Energy: 1.9896470869213208
Energy: 2.079018083863274
Energy: 1.8689282754601622
Energy: 2.079018083863274
Energy: 1.8305235718811546
Energy: 2.2660099536559377
Energy: 1.9912541676330706
Energy: 2.266009953654666
Energy: 1.8305235718811546
Energy: 2.266009953655302
Energy: 1.8304714733820155
Energy: 2.012047314830575
Energy: 1.8578621354554887
Energy: 2.01204731485347
Energy: 1.8304714733845597
Energy: 2.0120473147466247
Energy: 2.5942048046971387
Energy: 2.1084454205673917
Energy: 1.8294390626383334
Energy: 2.1084454203678082
Energy: 2.5942048046971387
Energy: 2.1084454205591237
Energy: 2.568846829858152
Energy: 2.1944138272640843
Energy: 1.8596991283512114
Energy: 2.1944138272653566
Energy: 2.568846829858152
Energy: 2.1944138272653566
Energy: 1.8278282144881992
Energy: 2.0124590958205797
Energy: 1.859965654515154
Energy: 2.0124590958212156
Energy: 1.827828214487563
Energy: 2.012459095822488
Energy: 1.829665165056478
Energy: 2.2591993729564717
Energy: 1.9888288883046301
Energy: 2.2591993729577435
Energy: 1.8296651650539342
Energy: 2.2591993729571076
Energy: 1.8690134952388642
Energy: 2.29482539953405
Energy: 1.9888958818239928
Energy: 2.29482539953405
Energy: 1.8690134952388642
Energy: 2.294825399532778
Energy: 1.870683278082689
Energy: 2.0107881321058967
Energy: 1.9789533343185761
Energy: 2.0107881316717524
Energy: 1.870683278082053
Energy: 2.0107881334828557
Energy: 1.978483373494035
Energy: 2.5931352899487368
Energy: 1.977412823687265
Energy: 2.5931352899487368
Energy: 1.978483373494035
Energy: 2.5931352899487368
Energy: 1.9783753672491793
Energy: 2.0112874940485614
Energy: 1.8650128245098394
Energy: 2.0112876622248423
Energy: 1.978375367251087
Energy: 2.0112875776608425
Energy: 1.989046347827536
Energy: 2.295218291363432
Energy: 1.869177650708208
Energy: 2.295218291442872
Energy: 1.9890463478269
Energy: 2.2952182914772146
Energy: 1.9905936741431483
Energy: 2.259898381803687
Energy: 1.8298714105373355
Energy: 2.259898381803687
Energy: 1.9905936741418764
Energy: 2.259898381803687
Energy: 1.8599203346841324
Energy: 2.0133750935103305
Energy: 1.8329057848039185
Energy: 2.013375093506515
Energy: 1.8599203346828606
Energy: 2.0133750935103305
Energy: 1.8608765487569574
Energy: 2.194897149646551
Energy: 2.2965530995268155
Energy: 2.1948971496459153
Energy: 1.8608765487563215
Energy: 2.1948971496459153
Energy: 1.8293504238177491
Energy: 2.106878576044644
Energy: 2.5891246361289344
Energy: 2.1068785760414643
Energy: 1.8293504238177491
Energy: 2.1068785760465523
Energy: 1.8574174641134595
Energy: 2.013017198274767
Energy: 1.8293400369139354
Energy: 2.013017198274131
Energy: 1.8574174641128236
Energy: 2.0130171982760388
Energy: 1.9897158304223452
Energy: 2.269976219725612
Energy: 1.8285641264525752
Energy: 2.269976219724976
Energy: 1.9897158304128635
Energy: 2.269976219726884

minimum gb energy = 1.827828214487563 eV
minimum distance =  2.36742473941854 Angstroms
sigma value = 81


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

Energy: 1.7662193779467175
Energy: 1.7660364604374597
Energy: 2.031468404514252
Energy: 1.766036460437008
Energy: 1.7662193779464785
Energy: 1.7660364604374597
Energy: 2.2305337656459376
Energy: 1.7674726757033894
Energy: 1.7659318946212144
Energy: 1.7674726757033894
Energy: 2.2305337656457254
Energy: 1.7674726757033894
Energy: 1.7659245052772132
Energy: 1.7671855379310153
Energy: 2.230693611106917
Energy: 1.7671855379314934
Energy: 1.7659245052772132
Energy: 1.7671855379314934
Energy: 1.9889936827911425
Energy: 1.766036460437247
Energy: 1.7662193779462396
Energy: 1.766036460437008
Energy: 1.9889936827909036
Energy: 1.7660364604374597
Energy: 1.7659318946209754
Energy: 1.7674726757031503
Energy: 2.2305337656461766
Energy: 1.7674726757033894
Energy: 1.7659318946207632
Energy: 1.7674726757031503
Energy: 2.230693611106917
Energy: 1.7671855379312542
Energy: 1.7659245052772132
Energy: 1.7671855379317323
Energy: 2.230693611107395
Energy: 1.7671855379310153
Energy: 1.7662193779464785
Energy: 1.7660364604374597
Energy: 1.988993682791594
Energy: 1.766036460437008
Energy: 1.7662193779467175
Energy: 1.766036460437247
Energy: 2.2305337656459376
Energy: 1.7674726757031503
Energy: 1.7659318946209754
Energy: 1.7674726757031503
Energy: 2.2305337656459376
Energy: 1.7674726757033894
Energy: 1.7659245052772132
Energy: 1.7671855379312542
Energy: 2.2306936111059876
Energy: 1.7671855379310153
Energy: 1.7659245052772132
Energy: 1.7671855379310153
Energy: 1.9889936827906645
Energy: 1.766036460437247
Energy: 1.7662193779462396
Energy: 1.7660364604376986
Energy: 1.9889936827904255
Energy: 1.766036460437247

minimum gb energy = 1.7659245052772132 eV
minimum distance =  2.4292102589119 Angstroms
sigma value = 3


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

Energy: 2.4056944434534153
Energy: 2.0274535882322278
Energy: 2.5482370247302657
Energy: 2.0274535882322278
Energy: 2.4056944434534153
Energy: 2.0274535882322278
Energy: 2.435895045029779
Energy: 1.9185528039669268
Energy: 1.7950650470481726
Energy: 1.918552803972521
Energy: 2.4358950450577503
Energy: 1.9185528039704232
Energy: 1.8234793376735987
Energy: 1.8227799009820442
Energy: 2.0948813638739723
Energy: 1.822779900984142
Energy: 1.8234793376735987
Energy: 1.822779900984142
Energy: 2.545489600041497
Energy: 2.414402814446392
Energy: 1.9073618674167374
Energy: 2.41440281444779
Energy: 2.5454896000428953
Energy: 2.414402814447091
Energy: 1.883424261349904
Energy: 1.8846683498174512
Energy: 2.4996506536781586
Energy: 1.884668349816752
Energy: 1.883424261349904
Energy: 1.8846683498160526
Energy: 2.097042925591004
Energy: 1.9107731824166754
Energy: 1.8028565823308906
Energy: 1.9107731824173744
Energy: 2.0970429256280343
Energy: 1.9107731824180738
Energy: 1.8835066441325883
Energy: 1.8851033196914275
Energy: 2.1622032796373025
Energy: 1.8851033196907285
Energy: 1.8835066441332875
Energy: 1.8851033196907285
Energy: 1.8856463185274193
Energy: 2.3652159909647996
Energy: 1.9096152642876714
Energy: 2.365215990962702
Energy: 1.8856463185274193
Energy: 2.3652159909634016
Energy: 1.8235518376067694
Energy: 2.2784942998621283
Energy: 2.3741407408171487
Energy: 2.278494299861429
Energy: 1.82355183760607
Energy: 2.2784942998621283
Energy: 1.8252244770258677
Energy: 1.918116881334856
Energy: 1.793373448437528
Energy: 1.918116881334856
Energy: 1.8252244770265673
Energy: 1.918116881334856
Energy: 2.3565740796287717
Energy: 1.7948002234984364
Energy: 1.9190208600682348
Energy: 1.794800223499136
Energy: 2.3565740796280723
Energy: 1.7948002234984364
Energy: 2.4060802109998463
Energy: 2.174286375081798
Energy: 1.7933695583358193
Energy: 2.174286375082497
Energy: 2.4060802109984474
Energy: 2.174286375082497
Energy: 1.8233201093680844
Energy: 2.009493185951291
Energy: 1.795580091050602
Energy: 2.0094931859498923
Energy: 1.8233201093666858
Energy: 2.0094931859505913
Energy: 1.825063834047973
Energy: 2.0432656456265583
Energy: 1.9158976802105898
Energy: 2.0432656456265583
Energy: 1.8250638340486725
Energy: 2.043265645627957
Energy: 1.8846115275674837
Energy: 2.1658153092703833
Energy: 1.9109838866357658
Energy: 2.165815309278076
Energy: 1.8846115275681827
Energy: 2.165815309294159
Energy: 1.8849285790023302
Energy: 2.258085933598271
Energy: 1.7995468029580246
Energy: 2.258085933597572
Energy: 1.8849285790030295
Energy: 2.258085933597572
Energy: 1.8845203854875465
Energy: 2.2446468730724445
Energy: 1.8004795605226998
Energy: 2.244646873073144
Energy: 1.8845203854875465
Energy: 2.244646873073144
Energy: 1.8844046025606547
Energy: 2.068879357319576
Energy: 1.909594256179709
Energy: 2.068879357320275
Energy: 1.8844046025606547
Energy: 2.068879357320275
Energy: 1.8234251745046914
Energy: 2.0431393191228917
Energy: 1.9104799197133575
Energy: 2.0431393191242906
Energy: 1.8234251745046914
Energy: 2.0431393191158986
Energy: 1.823502795003848
Energy: 1.9214450404347192
Energy: 1.7949814280850565
Energy: 1.9214450404347192
Energy: 1.8235027950031484
Energy: 1.9214450404340202
Energy: 2.3838868838057246
Energy: 2.173747808940138
Energy: 1.7937100229149845
Energy: 2.173747808940138
Energy: 2.3838868838071234
Energy: 2.173747808940138
Energy: 2.359365732802235
Energy: 1.7928099655572631
Energy: 1.9159618225625992
Energy: 1.7928099655579621
Energy: 2.3593657328029343
Energy: 1.7928099655593608
Energy: 1.8244558569892877
Energy: 1.9178300220588793
Energy: 1.7938221838180517
Energy: 1.9178300220588793
Energy: 1.824455856989987
Energy: 1.9178300220588793
Energy: 1.8232664635303746
Energy: 2.2781328197351884
Energy: 2.373338081787514
Energy: 2.278132819734489
Energy: 1.8232664635303746
Energy: 2.278132819734489
Energy: 1.8851980654724143
Energy: 2.069303011244818
Energy: 1.9127682519819098
Energy: 2.0693030112441186
Energy: 1.8851980654745122
Energy: 2.0693030112441186
Energy: 1.8848809660534445
Energy: 2.0752182356321467
Energy: 1.9126234096059034
Energy: 2.0752182356293494
Energy: 1.8848809660527448
Energy: 2.075218235630748
Energy: 1.885142412329253
Energy: 2.1590059103914787
Energy: 1.802812491170332
Energy: 2.1590059103914787
Energy: 1.885142412329253
Energy: 2.159005910392178
Energy: 1.8849636755189967
Energy: 2.0325083589563935
Energy: 2.3714340515781145
Energy: 2.0325083589542956
Energy: 1.8849636755196961
Energy: 2.032508358953596
Energy: 2.0324468704775693
Energy: 2.2952528511704795
Energy: 1.9080819347946467
Energy: 2.295252851169113
Energy: 2.03244687047687
Energy: 2.2952528511704795
Energy: 1.8251272677818247
Energy: 1.823888068517062
Energy: 2.0968408862584336
Energy: 1.823888068517062
Energy: 1.825127267782524
Energy: 1.8238880685177612
Energy: 2.437213758789532
Energy: 1.927082706809235
Energy: 1.799906889518645
Energy: 1.9270827068078367
Energy: 2.437213758788833
Energy: 1.9270827068085357
Energy: 2.362892350049996
Energy: 2.3468526671012797
Energy: 1.9299405249617902
Energy: 2.3468526671012797
Energy: 2.3628923500485977
Energy: 2.3468526671005803
Energy: 2.4368946543094445
Energy: 1.9171724275864521
Energy: 1.793321517250997
Energy: 1.917172427585753
Energy: 2.436894654310144
Energy: 1.917172427585753

minimum gb energy = 1.7928099655572631 eV
minimum distance =  2.40763231465836 Angstroms
sigma value = 67


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

Energy: 1.8900562506844116
Energy: 1.8827030207511994
Energy: 2.6039368658916713
Energy: 1.8827030207521955
Energy: 1.8900562506854077
Energy: 1.8827030207531923
Energy: 2.49179857290781
Energy: 1.829750739404853
Energy: 1.818152577899271
Energy: 1.829750739404853
Energy: 2.4917985729755645
Energy: 1.829750739404853
Energy: 1.818843713529021
Energy: 1.9294911571008613
Energy: 2.1529101918967495
Energy: 1.9294911571008613
Energy: 1.8188437135280242
Energy: 1.9294911571008613
Energy: 2.490335739515985
Energy: 2.3013133213735175
Energy: 1.8209137529797355
Energy: 2.301313321374514
Energy: 2.490335739515985
Energy: 2.301313321374514
Energy: 1.8162970755539323
Energy: 2.5311005242092532
Energy: 2.4972570327871666
Energy: 2.5311005242092532
Energy: 1.816297075555925
Energy: 2.5311005242092532
Energy: 1.8178019475643017
Energy: 2.341896949902273
Energy: 1.8180364921214625
Energy: 2.3418969499032696
Energy: 1.8178019475633052
Energy: 2.3418969499082514
Energy: 1.8409300991717241
Energy: 1.832113388456465
Energy: 1.8377285818802012
Energy: 1.832113388453476
Energy: 1.8409300991727202
Energy: 1.832113388455469
Energy: 1.831453382463967
Energy: 2.2630415444442527
Energy: 2.471302075699773
Energy: 2.263041544443256
Energy: 1.8314533824649635
Energy: 2.26304154442831
Energy: 1.8454879457606623
Energy: 2.1540495559036783
Energy: 2.4800990968902634
Energy: 2.154049555904675
Energy: 1.8454879457606623
Energy: 2.1540495559036783
Energy: 1.853583237424736
Energy: 1.8320643076367655
Energy: 1.8495337934122096
Energy: 1.8320643076367655
Energy: 1.853583237424736
Energy: 1.8320643076367655
Energy: 1.8288966029519163
Energy: 2.2756688943672203
Energy: 1.8372103461526168
Energy: 2.275668894366224
Energy: 1.8288966029519163
Energy: 2.275668894368217
Energy: 1.832060608072621
Energy: 1.9529895579765562
Energy: 1.8321183529383993
Energy: 1.9529895579775525
Energy: 1.8320606080716246
Energy: 1.9529895579775525
Energy: 1.83718371444421
Energy: 2.2752165303887772
Energy: 1.8289049182351207
Energy: 2.2752165303877807
Energy: 1.83718371444421
Energy: 2.275216530386784
Energy: 1.8496166572536967
Energy: 1.832481214349485
Energy: 1.8536117044292078
Energy: 1.832481214349485
Energy: 1.8496166572536967
Energy: 1.832481214349485
Energy: 2.480061270793035
Energy: 2.155511966503565
Energy: 1.8452512651085875
Energy: 2.155511966503565
Energy: 2.4800612707920386
Energy: 2.1555119665045614
Energy: 2.4712887331491347
Energy: 2.263390355748042
Energy: 1.8305136830628645
Energy: 2.263390355748042
Energy: 2.4712887331491347
Energy: 2.2633903557470454
Energy: 1.8374028817654318
Energy: 1.831820134550449
Energy: 1.8302684027877367
Energy: 1.831820134550449
Energy: 1.8374028817644357
Energy: 1.8318201345474598
Energy: 1.817797339605826
Energy: 2.3425765468811672
Energy: 1.8262151560784632
Energy: 2.3425765468811672
Energy: 1.8177973396048295
Energy: 2.3425765468811672
Energy: 2.4970915402420433
Energy: 2.5311818819401126
Energy: 1.816790915353607
Energy: 2.531181881941109
Energy: 2.4970915402420433
Energy: 2.5311818819391165
Energy: 1.8210098494578562
Energy: 2.3009664343907907
Energy: 2.490388929071173
Energy: 2.3009664343917873
Energy: 1.8210098494578562
Energy: 2.3009664343917873
Energy: 2.1534269252793456
Energy: 1.9294911571018578
Energy: 1.8302849796246758
Energy: 1.9294911571018578
Energy: 2.153426925278349
Energy: 1.9294911571008613
Energy: 1.8181310167771418
Energy: 1.8302673750020777
Energy: 2.488243027720978
Energy: 1.8302673750010812
Energy: 1.8181310167761453
Energy: 1.8302673750020777
Energy: 2.2417629212000088
Energy: 1.8827030207521955
Energy: 1.8900562506854077
Energy: 1.8827030207511994
Energy: 2.2417629212000088
Energy: 1.8827030207511994

minimum gb energy = 1.8162970755539323 eV
minimum distance =  2.46798524728442 Angstroms
sigma value = 33


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

Energy: 2.210722429280806
Energy: 1.854478411016397
Energy: 2.5869972737226603
Energy: 1.8544784110176613
Energy: 2.210722429280806
Energy: 1.854478411015765
Energy: 2.5503800275651374
Energy: 2.1970094609965014
Energy: 1.809455069869525
Energy: 2.1970094609965014
Energy: 2.5503800275657698
Energy: 2.1970094609965014
Energy: 1.8107682565918615
Energy: 1.8919094280746216
Energy: 2.369243581065646
Energy: 1.8919094280752535
Energy: 1.8107682565924939
Energy: 1.8919094280746216
Energy: 1.900645940815185
Energy: 2.2368507033059526
Energy: 1.8309487978557724
Energy: 2.236850703307217
Energy: 1.9006459408164487
Energy: 2.236850703307217
Energy: 2.1512010435621436
Energy: 2.3246713197343243
Energy: 2.1107700075406934
Energy: 2.3246713197349567
Energy: 2.151201043559615
Energy: 2.3246713197343243
Energy: 2.138494288318655
Energy: 2.149781540993357
Energy: 1.8198216884898515
Energy: 2.1497815409920933
Energy: 2.1384942883192872
Energy: 2.1497815409920933
Energy: 1.8081173771037753
Energy: 1.826914638176033
Energy: 1.8314176437081344
Energy: 1.8269146381766654
Energy: 1.8081173771044075
Energy: 1.826914638176033
Energy: 1.8310563660884016
Energy: 2.308105910103469
Energy: 2.1371991089425224
Energy: 2.308105910103469
Energy: 1.8310563660884016
Energy: 2.308105910103469
Energy: 2.1139734468691027
Energy: 2.1122674403510873
Energy: 2.1400591959687176
Energy: 2.1122674403498234
Energy: 2.1139734468691027
Energy: 2.1122674403510873
Energy: 1.8280539640055877
Energy: 2.0253096387579284
Energy: 1.803805126865822
Energy: 2.0253096387579284
Energy: 1.8280539640055877
Energy: 2.0253096387579284
Energy: 1.8086822126870814
Energy: 2.2859872987685645
Energy: 1.8312471370027565
Energy: 2.2859872987685645
Energy: 1.8086822126883457
Energy: 2.2859872987685645
Energy: 1.808172140936767
Energy: 1.9350713458599262
Energy: 2.5248667681439185
Energy: 1.935071345861822
Energy: 1.808172140936767
Energy: 1.9350713458630866
Energy: 2.1247819772133516
Energy: 2.3309735748759564
Energy: 2.2001517070119756
Energy: 2.3309735748753244
Energy: 2.124781977210191
Energy: 2.3309735748753244
Energy: 1.8094778523497081
Energy: 2.240304981789262
Energy: 1.817203284576504
Energy: 2.240304981789262
Energy: 1.8094778523503405
Energy: 2.240304981789262
Energy: 2.109894855981107
Energy: 1.8983369216800403
Energy: 1.8055732965748752
Energy: 1.8983369216800403
Energy: 2.109894855984267
Energy: 1.8983369216787764
Energy: 1.8306993161595237
Energy: 2.195405262927956
Energy: 2.4496209524172468
Energy: 2.1954052629273244
Energy: 1.830699316160156
Energy: 2.195405262927956
Energy: 2.546834151937954
Energy: 2.027754678065067
Energy: 2.163834729500394
Energy: 2.027754680490635
Energy: 2.546834151937322
Energy: 2.027754679208637
Energy: 1.8038435723923385
Energy: 1.824649474634185
Energy: 2.409543612130548
Energy: 1.824649474635449
Energy: 1.8038435723917066
Energy: 1.824649474635449
Energy: 2.182104759944191
Energy: 1.8262516717938362
Energy: 1.8059916396852596
Energy: 1.826251671793204
Energy: 2.182104759943558
Energy: 1.826251671793204
Energy: 2.1761411455130206
Energy: 2.0276274286703324
Energy: 1.8323306383162739
Energy: 2.0276274286665976
Energy: 2.1761411455130206
Energy: 2.0276274286671727
Energy: 2.5205801303140216
Energy: 2.213946826007088
Energy: 1.8243005121542535
Energy: 2.213946826005824
Energy: 2.5205801303133892
Energy: 2.213946826005824
Energy: 1.8062592254858718
Energy: 2.17733098155301
Energy: 2.110230076949471
Energy: 2.177330981552378
Energy: 1.8062592254858718
Energy: 2.17733098155301
Energy: 1.832008170926864
Energy: 2.287089801070875
Energy: 1.803655262475365
Energy: 2.287089801070875
Energy: 1.832008170926864
Energy: 2.287089801070875
Energy: 2.2054386911091166
Energy: 2.383564300518085
Energy: 1.8072183018094208
Energy: 2.383564300518085
Energy: 2.2054386911084847
Energy: 2.383564300518085
Energy: 2.5079235415418824
Energy: 1.9374663952802362
Energy: 1.8076701507632615
Energy: 1.9374663952871891
Energy: 2.5079235415425147
Energy: 1.9374663952865572
Energy: 1.8277706223477832
Energy: 2.2815497762678727
Energy: 1.8081053426074354
Energy: 2.2815497762678727
Energy: 1.8277706223471508
Energy: 2.2815497762678727
Energy: 1.8053871779664978
Energy: 2.1769621779722588
Energy: 2.113720064327844
Energy: 2.1769621779722588
Energy: 1.8053871779664978
Energy: 2.1769621779722588
Energy: 2.1422847281493738
Energy: 2.101624598629347
Energy: 1.8279484170494753
Energy: 2.101624598606592
Energy: 2.1422847281493738
Energy: 2.1016245986312434
Energy: 2.140071892096402
Energy: 2.308219740427602
Energy: 1.8316355123377923
Energy: 2.308219740427602
Energy: 2.1400718920932413
Energy: 2.308219740427602
Energy: 1.8312745292863417
Energy: 1.8278508673028602
Energy: 1.8043219077831278
Energy: 1.8278508673016531
Energy: 1.8312745292869737
Energy: 1.8278508673028602
Energy: 1.808603967613002
Energy: 2.0737583321883455
Energy: 2.520506726638914
Energy: 2.073758332187713
Energy: 1.808603967613002
Energy: 2.073758332187713
Energy: 2.111952436909673
Energy: 2.0375568255980494
Energy: 2.174790051366174
Energy: 2.03755682560121
Energy: 2.111952436909673
Energy: 2.037556825599314
Energy: 1.8279115942136832
Energy: 2.1753625058643826
Energy: 2.222873646176196
Energy: 2.1753625058650146
Energy: 1.8279115942143156
Energy: 2.1753625058643826
Energy: 2.390736420899646
Energy: 1.8919110149688108
Energy: 1.8123087365393968
Energy: 1.8919110149688108
Energy: 2.390736420903438
Energy: 1.8919110149688108
Energy: 1.8065611870425327
Energy: 2.190110240404706
Energy: 2.3288629756582946
Energy: 2.190110240404074
Energy: 1.8065611870425327
Energy: 2.190110240404074
Energy: 2.1254145789862813
Energy: 2.0650787858496926
Energy: 2.222552242952603
Energy: 2.0650787858515884
Energy: 2.125414578983753
Energy: 2.0650787858490602
Energy: 1.804353830762156
Energy: 2.3183938709685528
Energy: 2.5390188921206307
Energy: 2.3183938709527507
Energy: 1.8043538307615237
Energy: 2.318393870957807

minimum gb energy = 1.803655262475365 eV
minimum distance =  2.37243186595744 Angstroms
sigma value = 41


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

Energy: 1.692069972858376
Energy: 1.65416320454691
Energy: 2.770786712725214
Energy: 1.6541632045296522
Energy: 1.6920699728601016
Energy: 1.6541632045451844
Energy: 2.506147535474487
Energy: 1.6461769391310324
Energy: 1.6459317649454774
Energy: 1.6461769391310324
Energy: 2.506147535476213
Energy: 1.6461769391310324
Energy: 1.6926272304233572
Energy: 1.9166214099219387
Energy: 1.648928789574839
Energy: 1.9166214099236645
Energy: 1.6926272304233572
Energy: 1.9166214099236645
Energy: 2.4659396164801866
Energy: 1.6489097940469328
Energy: 1.6459717713852966
Energy: 1.6489097940469328
Energy: 2.465939616476735
Energy: 1.6489097940469328
Energy: 1.6898725434283075
Energy: 2.253150234846362
Energy: 1.6498576479761586
Energy: 2.253150234846362
Energy: 1.6898725434283075
Energy: 2.253150234846362
Energy: 1.693563756981608
Energy: 1.7243194657923056
Energy: 1.6479934240280956
Energy: 1.7243194657923056
Energy: 1.693563756981608
Energy: 1.7243194657923056
Energy: 2.4619977603299583
Energy: 1.6468132197480965
Energy: 1.653720078109241
Energy: 1.6468132197480965
Energy: 2.4619977603299583
Energy: 1.6468132197498222
Energy: 1.6946051213415387
Energy: 1.646940329844454
Energy: 1.6585743399242316
Energy: 1.64694032984618
Energy: 1.6946051213415387
Energy: 1.6469403298479057
Energy: 2.3622154383996503
Energy: 1.7228583306690013
Energy: 1.6467884034201197
Energy: 1.7228583306690013
Energy: 2.3622154383996503
Energy: 1.7228583306690013
Energy: 1.6949430891069255
Energy: 1.647604622615818
Energy: 1.6470157208448584
Energy: 1.647604622615818
Energy: 1.6949430891069255
Energy: 1.647604622615818
Energy: 2.3765360487535614
Energy: 1.6467690906045727
Energy: 1.652371197196216
Energy: 1.6467690839269329
Energy: 2.3765360487535614
Energy: 1.6467690864006355
Energy: 1.6859344334668391
Energy: 1.9088003235280848
Energy: 2.4121952318410624
Energy: 1.9088003235280848
Energy: 1.6859344334668391
Energy: 1.9088003235280848
Energy: 2.377270849118544
Energy: 1.6466083819069506
Energy: 1.6524005772765966
Energy: 1.6466083819327986
Energy: 2.377270849118544
Energy: 1.6466083819052248
Energy: 1.6943569260483304
Energy: 1.6476769348630027
Energy: 1.6462162295255363
Energy: 1.6476769348630027
Energy: 1.6943569260483304
Energy: 1.6476769348630027

minimum gb energy = 1.6459317649454774 eV
minimum distance =  2.54566286970779 Angstroms
sigma value = 11


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

Energy: 2.3032275837911587
Energy: 1.9160774865068044
Energy: 2.428698609515229
Energy: 1.9160774861385201
Energy: 2.3032275837904006
Energy: 1.9160774871509487
Energy: 2.274893240694455
Energy: 2.440697294769408
Energy: 1.9013770333639874
Energy: 2.440697294770166
Energy: 2.274893240694455
Energy: 2.440697294769408
Energy: 1.9044327281735458
Energy: 2.0679290821468177
Energy: 1.9054282674756065
Energy: 2.067929082145301
Energy: 1.9044327281727877
Energy: 2.067929082145301
Energy: 1.9229271603520794
Energy: 2.032567326277877
Energy: 1.9014443786607413
Energy: 2.032567326278635
Energy: 1.9229271603520794
Energy: 2.032567326278635
Energy: 2.1878511994962384
Energy: 2.1610308602799244
Energy: 1.928844190560871
Energy: 2.1610308602799244
Energy: 2.187851199496997
Energy: 2.1610308602784083
Energy: 1.9519609679464036
Energy: 2.20385259265373
Energy: 2.180443947872809
Energy: 2.20385259265373
Energy: 1.9519609679464036
Energy: 2.20385259265373
Energy: 1.92308216144687
Energy: 2.209357927119283
Energy: 1.9512158449747927
Energy: 2.2093579271215575
Energy: 1.92308216144687
Energy: 2.2093579271215575
Energy: 1.90504463070814
Energy: 2.0309471774228887
Energy: 2.0092621009464704
Energy: 2.0309471774228887
Energy: 1.90504463070814
Energy: 2.0309471774228887
Energy: 2.1866843025638536
Energy: 2.1250153997285106
Energy: 1.901001610346184
Energy: 2.1250153997285106
Energy: 2.1866843025638536
Energy: 2.1250153997285106
Energy: 1.9029016885536636
Energy: 2.443721190985482
Energy: 2.0423122312200017
Energy: 2.4437211909847245
Energy: 1.9029016885839545
Energy: 2.4437211909847245
Energy: 2.13606674290205
Energy: 2.0030956920627765
Energy: 2.2422589273713402
Energy: 2.0030956920635345
Energy: 2.13606674290205
Energy: 2.0030956920627765
Energy: 1.901284455741426
Energy: 2.2032386365260255
Energy: 2.2186998207737068
Energy: 2.203238636526784
Energy: 1.9012844557421842
Energy: 2.2032386365283
Energy: 1.9031927041649737
Energy: 2.2480333130119816
Energy: 2.0474555690593528
Energy: 2.2480333130127397
Energy: 1.9031927041664898
Energy: 2.2480333130127397
Energy: 1.9223898283012253
Energy: 2.1249773335923146
Energy: 1.929996925260771
Energy: 2.1249773335923146
Energy: 1.9223898283012253
Energy: 2.1249773335923146
Energy: 1.9015162480135495
Energy: 2.345481462850428
Energy: 2.1176064419412914
Energy: 2.3454814628519447
Energy: 1.9015162480127912
Energy: 2.3454814628519447
Energy: 2.436926055395154
Energy: 2.4356108382287025
Energy: 1.992296319263206
Energy: 2.435610838227945
Energy: 2.436926055395154
Energy: 2.435610838227945
Energy: 1.9512934447081745
Energy: 2.4326683252596726
Energy: 2.1185295056750952
Energy: 2.4326683252596726
Energy: 1.9512934447081745
Energy: 2.4326683252596726
Energy: 2.190768472665224
Energy: 2.4148387235369815
Energy: 1.9009090319635171
Energy: 2.4148387235369815
Energy: 2.190768472665224
Energy: 2.4148387235369815
Energy: 1.9257615707101718
Energy: 1.9272783711941224
Energy: 1.9237728651652777
Energy: 1.9272783711895733
Energy: 1.9257615707101718
Energy: 1.9272783711941224
Energy: 1.9046771303650234
Energy: 2.2281897809353155
Energy: 1.9004337208308624
Energy: 2.2281897809360736
Energy: 1.9046771303650234
Energy: 2.2281897809368316
Energy: 2.2152460675002903
Energy: 2.2021503898197925
Energy: 1.9018243432406265
Energy: 2.2021503898190344
Energy: 2.2152460675002903
Energy: 2.2021503898182755
Energy: 2.2326675368458995
Energy: 1.917906801532432
Energy: 2.1585704618728285
Energy: 1.91790680153319
Energy: 2.2326675368474156
Energy: 1.9179068015316738
Energy: 2.0416941875725305
Energy: 2.4408954940505314
Energy: 1.9425269502092921
Energy: 2.4408954940497734
Energy: 2.0416941875725305
Energy: 2.4408954940497734
Energy: 1.9023431909018216
Energy: 2.1252146696629928
Energy: 2.2554229632638614
Energy: 2.1252146696629928
Energy: 1.9023431909018216
Energy: 2.1252146696629928
Energy: 2.0101608994015834
Energy: 2.030954933307104
Energy: 1.9028563566606325
Energy: 2.030954933307104
Energy: 2.0101608994015834
Energy: 2.030954933307862
Energy: 1.9523259445052783
Energy: 2.209185035112341
Energy: 1.923206275517188
Energy: 2.2091850351130993
Energy: 1.9523259445052783
Energy: 2.2091850351138573
Energy: 2.181443857525414
Energy: 2.2038345844236673
Energy: 2.1887087425414147
Energy: 2.2038345844229097
Energy: 2.181443857525414
Energy: 2.2038345844236673
Energy: 1.9264766307983956
Energy: 2.160200896837026
Energy: 1.9517451651921982
Energy: 2.1602008968946445
Energy: 1.9264766307983956
Energy: 2.1602008969105313
Energy: 1.9038714063339401
Energy: 2.032042625296719
Energy: 1.9227401458443765
Energy: 2.032042625296719
Energy: 1.9038714063346982
Energy: 2.032042625297477
Energy: 1.9068390591933309
Energy: 2.213873418790195
Energy: 1.9041178948595026
Energy: 2.2138734187909535
Energy: 1.9068390591918145
Energy: 2.2138734187909535
Energy: 1.9002893459363825
Energy: 2.4416247355913896
Energy: 2.2569734865620865
Energy: 2.4416247355906315
Energy: 1.9002893459363825
Energy: 2.4416247355906315

minimum gb energy = 1.9002893459363825 eV
minimum distance =  2.42126447202374 Angstroms
sigma value = 57


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

Energy: 1.9961131944842934
Energy: 2.130254159424275
Energy: 2.5456524895893438
Energy: 2.130254159424275
Energy: 1.9961131944856425
Energy: 2.1302541594229263
Energy: 1.933454713263626
Energy: 2.15248226121953
Energy: 1.9129457046522034
Energy: 2.106782694859592
Energy: 1.933454713263626
Energy: 2.084935200784273
Energy: 1.9134338059684817
Energy: 2.086476079337997
Energy: 1.9137971732081842
Energy: 2.086476079337997
Energy: 1.9134338059684817
Energy: 2.086476079337997
Energy: 1.9147883482916688
Energy: 2.142009489600611
Energy: 1.9135122240352938
Energy: 2.4295174303212863
Energy: 1.9147883482916688
Energy: 2.1080449981038147
Energy: 1.9137512461838788
Energy: 2.0863969645136917
Energy: 1.912933343205802
Energy: 2.0863969645136917
Energy: 1.9137512461838788
Energy: 2.0863969645136917
Energy: 1.913115208247124
Energy: 2.1067655534336933
Energy: 1.9334011136863958
Energy: 2.1067655534336933
Energy: 1.913115208247124
Energy: 2.1067655534336933
Energy: 2.5603283221241555
Energy: 2.130254159424275
Energy: 1.9961131944856425
Energy: 2.130254159424275
Energy: 2.5603283221241555
Energy: 2.130254159424275
Energy: 1.9129457046522034
Energy: 2.15248226121953
Energy: 1.933454713263626
Energy: 2.15248226121953
Energy: 1.9129457046508542
Energy: 2.15248226121953
Energy: 1.9137971732081842
Energy: 2.086476079337997
Energy: 1.9134338059684817
Energy: 2.086476079337997
Energy: 1.9137971732081842
Energy: 2.086476079337997
Energy: 1.9135122240352938
Energy: 2.1420094895938653
Energy: 1.9147883482916688
Energy: 2.1080449981024656
Energy: 1.9135122240352938
Energy: 2.1420094896019606
Energy: 1.9129333432071511
Energy: 2.0863969645123426
Energy: 1.9137512461838788
Energy: 2.0863969645123426
Energy: 1.912933343205802
Energy: 2.0863969645123426
Energy: 1.9334011136863958
Energy: 2.1067655534336933
Energy: 1.913115208247124
Energy: 2.1067655534336933
Energy: 1.9334011136863958
Energy: 2.1067655534336933
Energy: 1.9961131944869919
Energy: 2.130254159424275
Energy: 2.4369190831496126
Energy: 2.130254159424275
Energy: 1.9961131944856425
Energy: 2.130254159424275
Energy: 1.933454713263626
Energy: 2.084935200784273
Energy: 1.9129457046508542
Energy: 2.084935200784273
Energy: 1.933454713263626
Energy: 2.084935200784273
Energy: 1.9134338059684817
Energy: 2.086476079337997
Energy: 1.9137971732081842
Energy: 2.086476079337997
Energy: 1.9134338059684817
Energy: 2.086476079337997
Energy: 1.9147883482916688
Energy: 2.1080449981024656
Energy: 1.9135122240352938
Energy: 2.1080449981024656
Energy: 1.9147883482916688
Energy: 2.1080449981024656
Energy: 1.9137512461838788
Energy: 2.0863969645136917
Energy: 1.9129333432044529
Energy: 2.0863969645136917
Energy: 1.9137512461838788
Energy: 2.0863969645123426

minimum gb energy = 1.9129333432044529 eV
minimum distance =  2.45184297606347 Angstroms
sigma value = 9


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

Energy: 2.180350361203328
Energy: 2.351318116425156
Energy: 2.0893276423309195
Energy: 2.351318116425156
Energy: 2.180350361203328
Energy: 2.351318116425156
Energy: 2.080239458449003
Energy: 2.261425384067892
Energy: 1.9890984337911917
Energy: 2.261425384066791
Energy: 2.0802394584479016
Energy: 2.261425384067892
Energy: 1.987238417873901
Energy: 2.0804542925284433
Energy: 1.991040147466764
Energy: 2.0804542925262406
Energy: 1.9872384178750029
Energy: 2.0804542925262406
Energy: 2.0125835964766083
Energy: 2.0759633893953477
Energy: 2.085476381718756
Energy: 2.0759633893975504
Energy: 2.0125835964766083
Energy: 2.0759633893964495
Energy: 2.090996595948535
Energy: 2.3105640085327592
Energy: 1.9909625327508913
Energy: 2.310564008531658
Energy: 2.090996595948535
Energy: 2.310564008531658
Energy: 2.0128825758572875
Energy: 2.0757878736555306
Energy: 2.0804937607563816
Energy: 2.0757878736555306
Energy: 2.0128825758572875
Energy: 2.0757878736555306
Energy: 2.0128140338583718
Energy: 2.2204501439753495
Energy: 1.9927092050554949
Energy: 2.2204501439753495
Energy: 2.0128140338572704
Energy: 2.2204501439753495
Energy: 2.08866396496501
Energy: 2.242542375133569
Energy: 1.989356659600253
Energy: 2.242542375133569
Energy: 2.0886639649661114
Energy: 2.242542375133569
Energy: 2.0857386268508726
Energy: 2.2300986239374807
Energy: 2.0954347763617487
Energy: 2.230098623946243
Energy: 2.0857386268508726
Energy: 2.230098623889013
Energy: 2.096062053760032
Energy: 2.1191758529021203
Energy: 2.0212132261576934
Energy: 2.1191758529241516
Energy: 2.096062053760032
Energy: 2.119175852883394
Energy: 1.9887869435199088
Energy: 2.0821938670104405
Energy: 2.0855065752195223
Energy: 2.0821938670115423
Energy: 1.9887869435188075
Energy: 2.0821938670104405
Energy: 1.9857281660540942
Energy: 2.080796164558014
Energy: 2.0891583303672174
Energy: 2.0807961645591155
Energy: 1.9857281660540942
Energy: 2.0807961645591155
Energy: 1.9894465359451825
Energy: 2.058885761488482
Energy: 2.0850825159048627
Energy: 2.058885761487381
Energy: 1.9894465359451825
Energy: 2.0588857614862786
Energy: 1.9858690219722552
Energy: 2.1778008802619175
Energy: 2.090081976379604
Energy: 2.1778008802630198
Energy: 1.9858690219722552
Energy: 2.1778008802630198
Energy: 2.090023096169225
Energy: 2.121817730643534
Energy: 2.037494129406035
Energy: 2.1218177306446355
Energy: 2.090023096169225
Energy: 2.121817730643534
Energy: 2.085529055308057
Energy: 2.2298517884612665
Energy: 2.0885424527104486
Energy: 2.229851788460165
Energy: 2.085529055308057
Energy: 2.229851788460165
Energy: 2.0851617619831035
Energy: 2.2337748700076925
Energy: 2.0322489266148
Energy: 2.233774870008794
Energy: 2.085161761985307
Energy: 2.2337748700076925
Energy: 2.201708052480992
Energy: 2.337153844901219
Energy: 2.021757158458847
Energy: 2.3371538449001172
Energy: 2.201708052482094
Energy: 2.3371538449001172
Energy: 1.9897440668449338
Energy: 2.1765646292576744
Energy: 2.120388366713171
Energy: 2.1765646292598775
Energy: 1.9897440668449338
Energy: 2.1765646292598775
Energy: 1.9854246388627619
Energy: 2.1873796178829688
Energy: 2.021654280476787
Energy: 2.18737961788407
Energy: 1.9854246388627619
Energy: 2.18737961788407
Energy: 1.9902386308661244
Energy: 2.0773114527630847
Energy: 2.085779517071036
Energy: 2.0773114527608816
Energy: 1.9902386308661244
Energy: 2.077311452761984

minimum gb energy = 1.9854246388627619 eV
minimum distance =  2.46868546294436 Angstroms
sigma value = 27


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

Energy: 2.1565025401377884
Energy: 2.3509830010868407
Energy: 2.2419150722964485
Energy: 2.350983001085912
Energy: 2.1565025401377884
Energy: 2.3509830010868407
Energy: 2.04582723705174
Energy: 2.2861040817977765
Energy: 1.9957799199524522
Energy: 2.2861040817977765
Energy: 2.04582723705174
Energy: 2.2861040817977765
Energy: 1.999184657180423
Energy: 1.9991994405680074
Energy: 1.9959928472710742
Energy: 1.9991994405680074
Energy: 1.999184657180423
Energy: 1.999199440567079
Energy: 2.0063830090057078
Energy: 2.112377878040117
Energy: 2.1110507553041398
Energy: 2.112377878040117
Energy: 2.0063830090057078
Energy: 2.112377878040117
Energy: 2.044899739833417
Energy: 2.313971786578698
Energy: 1.9978227679194733
Energy: 2.3139717865768414
Energy: 2.044899739833417
Energy: 2.313971786578698
Energy: 2.010864232433429
Energy: 2.0123336705166848
Energy: 2.006038700599329
Energy: 2.0123336705176134
Energy: 2.010864232433429
Energy: 2.0123336705176134
Energy: 2.0075517816452884
Energy: 2.123418778698163
Energy: 1.998866651447126
Energy: 2.123418778698163
Energy: 2.0075517816452884
Energy: 2.1234187786990915
Energy: 1.9958506681797763
Energy: 2.1406931443638446
Energy: 2.0002510973315832
Energy: 2.140693144364773
Energy: 1.9958506681788475
Energy: 2.1406931443638446
Energy: 2.067422574585553
Energy: 2.118076130630713
Energy: 2.075303664570252
Energy: 2.118076130630713
Energy: 2.067422574585553
Energy: 2.118076130630713
Energy: 1.9963154736363462
Energy: 2.269171017042851
Energy: 2.083525905348684
Energy: 2.269171017042851
Energy: 1.9963154736372328
Energy: 2.2691710170419226
Energy: 1.9964186892626785
Energy: 2.2689169920875027
Energy: 2.0832896260002287
Energy: 2.2689169920884313
Energy: 1.99641868926175
Energy: 2.2689169920884313
Energy: 2.0674366289622297
Energy: 2.1180945412557506
Energy: 2.075648273533257
Energy: 2.1180945412557506
Energy: 2.0674366289613015
Energy: 2.1180945412557506
Energy: 1.9957348549113034
Energy: 2.1405995445510713
Energy: 1.9991363342823494
Energy: 2.140599544541786
Energy: 1.9957348549113034
Energy: 2.140599544549214
Energy: 2.0073908987451445
Energy: 2.123476572968956
Energy: 1.9988979717732567
Energy: 2.123476572968956
Energy: 2.0073908987451445
Energy: 2.123476572968956
Energy: 2.0110632245196145
Energy: 2.011765075298738
Energy: 2.0062834669408613
Energy: 2.011765075298738
Energy: 2.011063224518686
Energy: 2.0117650752978093
Energy: 2.044855700776482
Energy: 2.31397178657777
Energy: 1.9981442800328892
Energy: 2.31397178657777
Energy: 2.0448557007755532
Energy: 2.31397178657777
Energy: 2.0064298750320764
Energy: 2.112328174297644
Energy: 2.0507658748905
Energy: 2.112328174297644
Energy: 2.0064298750320764
Energy: 2.1123281742985722
Energy: 1.9992828635584585
Energy: 1.999142072780903
Energy: 1.9959391379766904
Energy: 1.9991420727781173
Energy: 1.9992828635556732
Energy: 1.9991420727799745
Energy: 2.04578996377059
Energy: 2.28430500365854
Energy: 2.002196496352282
Energy: 2.28430500365854
Energy: 2.04578996377059
Energy: 2.2843050036576114
Energy: 2.156502540138717
Energy: 2.350983001085912
Energy: 2.131976832260609
Energy: 2.3509830010868407
Energy: 2.1565025401377884
Energy: 2.3509830010868407
Energy: 2.0458272370526687
Energy: 2.2861040817977765
Energy: 1.9957799199515238
Energy: 2.286104081796848
Energy: 2.04582723705174
Energy: 2.2861040817977765
Energy: 1.999184657180423
Energy: 1.999199440567079
Energy: 1.9959928472710742
Energy: 1.9991994405689357
Energy: 1.999184657180423
Energy: 1.9991994405680074
Energy: 2.0063830090057078
Energy: 2.112377878040117
Energy: 2.1110507553041398
Energy: 2.1123778780410456
Energy: 2.0063830090057078
Energy: 2.112377878040117
Energy: 2.044899739834346
Energy: 2.31397178657777
Energy: 1.9978227679194733
Energy: 2.3139717865768414
Energy: 2.044899739833417
Energy: 2.313971786578698
Energy: 2.010864232433429
Energy: 2.0123336705166848
Energy: 2.006038700600257
Energy: 2.0123336705176134
Energy: 2.010864232433429
Energy: 2.01233367051947

minimum gb energy = 1.9957348549113034 eV
minimum distance =  2.44406981365152 Angstroms
sigma value = 19


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

Energy: 2.1637416973519654
Energy: 1.9416941361705176
Energy: 2.0869220765271983
Energy: 1.941694136172121
Energy: 2.163741697351164
Energy: 1.9416941361737239
Energy: 2.017024330915568
Energy: 2.1099143402658767
Energy: 1.9864867794303218
Energy: 2.109914340266678
Energy: 2.0170243309147664
Energy: 2.1099143402658767
Energy: 1.9418666298604557
Energy: 2.2145838993732534
Energy: 1.9865039827399988
Energy: 2.2145838993732534
Energy: 1.941866629861257
Energy: 2.214583899372452
Energy: 2.019389334225049
Energy: 2.1743073274471154
Energy: 1.9735308594360867
Energy: 2.1743073274463134
Energy: 2.019389334225049
Energy: 2.1743073274463134
Energy: 1.9506833349337118
Energy: 2.1875882372407474
Energy: 1.9325156733701878
Energy: 2.1875882372407474
Energy: 1.9506833349329105
Energy: 2.1875882372407474
Energy: 1.9603738923132887
Energy: 2.0965293194789867
Energy: 1.9329792387799984
Energy: 2.0965293194789867
Energy: 1.9603738923132887
Energy: 2.096529319478185
Energy: 1.9781887458209866
Energy: 2.1539668000253287
Energy: 1.9328603338347414
Energy: 2.15396680002613
Energy: 1.978188745821788
Energy: 2.1539668000253287
Energy: 1.9332137522029778
Energy: 2.095939255309297
Energy: 1.9329106665928821
Energy: 2.0959392553084952
Energy: 1.9332137522037791
Energy: 2.0959392553084952
Energy: 1.9346893355404833
Energy: 2.1807440341038937
Energy: 2.009521450692414
Energy: 2.1807440341046953
Energy: 1.9346893355404833
Energy: 2.1807440341038937
Energy: 1.95221660423784
Energy: 1.89615401136952
Energy: 1.9888312287195882
Energy: 1.896154011372726
Energy: 1.95221660423784
Energy: 1.89615401136952
Energy: 1.9339426087479412
Energy: 2.219847694515905
Energy: 1.9338956616750786
Energy: 2.219847694515905
Energy: 1.9339426087479412
Energy: 2.219847694516706
Energy: 1.9182017202305959
Energy: 1.8837561203932924
Energy: 1.902848767646643
Energy: 1.8837561203948954
Energy: 1.9182017202305959
Energy: 1.883756120395697
Energy: 1.9189272349489332
Energy: 1.9052305995444143
Energy: 1.9440918947078296
Energy: 1.9052305995436125
Energy: 1.9189272349489332
Energy: 1.9052305995436125
Energy: 1.940368616402198
Energy: 2.21897493993725
Energy: 2.10008509500397
Energy: 2.21897493993725
Energy: 1.940368616402198
Energy: 2.21897493993725
Energy: 1.9515860168693697
Energy: 2.172238584618276
Energy: 1.9379870839874298
Energy: 2.1722385846190777
Energy: 1.9515860168693697
Energy: 2.1722385846190777
Energy: 1.9510588057146414
Energy: 2.1067129554094577
Energy: 1.9392578677394001
Energy: 2.106712955408656
Energy: 1.9510588057146414
Energy: 2.106712955408656
Energy: 1.957706002716341
Energy: 2.096648651263061
Energy: 1.9321388009354867
Energy: 2.096648651263061
Energy: 1.957706002716341
Energy: 2.096648651263862
Energy: 1.9189433088838408
Energy: 2.2311915707946532
Energy: 1.8994424899079405
Energy: 2.2311915707946532
Energy: 1.9189433088838408
Energy: 2.2311915707946532
Energy: 1.9586242963674265
Energy: 2.0971625628733683
Energy: 1.9323814976548626
Energy: 2.0971625628741695
Energy: 1.958624296366625
Energy: 2.097162562874971
Energy: 1.9511904228607229
Energy: 2.1032926269508327
Energy: 1.939011029908465
Energy: 2.1032926269492296
Energy: 1.9511904228607229
Energy: 2.103292626948428
Energy: 1.950716600679681
Energy: 2.1768714134178864
Energy: 1.9435210402453376
Energy: 2.1768714134170852
Energy: 1.950716600679681
Energy: 2.1768714134170852
Energy: 1.91596518618238
Energy: 2.1988331128102803
Energy: 2.1002516443505286
Energy: 2.1988331128110823
Energy: 1.91596518618238
Energy: 2.1988331128110823
Energy: 1.9764136578292473
Energy: 1.9034780129709186
Energy: 1.9871968394634816
Energy: 1.9034780129701536
Energy: 1.9764136578284457
Energy: 1.9034780129709186
Energy: 1.974636629926525
Energy: 1.9567244854934542
Energy: 1.906236708365233
Energy: 1.9567244854926527
Energy: 1.974636629926525
Energy: 1.9567244854926527
Energy: 1.988908896833667
Energy: 2.1985281254791507
Energy: 2.0631251463771267
Energy: 2.1985281254791507
Energy: 1.988908896833667
Energy: 2.1985281254791507
Energy: 1.9512630851963435
Energy: 2.2009406280036714
Energy: 1.9878946901213241
Energy: 2.2009406280036714
Energy: 1.951263085195542
Energy: 2.200940628004473
Energy: 1.933035427240197
Energy: 2.1973260648901047
Energy: 1.9698765510621274
Energy: 2.1973260648901047
Energy: 1.9330354272393955
Energy: 2.1973260648901047
Energy: 1.9246328162273834
Energy: 2.095588727768994
Energy: 1.9327009395630577
Energy: 2.095588727768994
Energy: 1.9246328162273834
Energy: 2.095588727768994
Energy: 1.9715516154008836
Energy: 2.157551742334069
Energy: 1.9328109321942237
Energy: 2.157551742334069
Energy: 1.971551615400082
Energy: 2.157551742334069

minimum gb energy = 1.8837561203932924 eV
minimum distance =  2.43447671944373 Angstroms
sigma value = 101


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

Energy: 2.022380967946333
Energy: 2.1876007388110454
Energy: 1.9733477809371562
Energy: 2.1876007388110454
Energy: 2.022380967946333
Energy: 2.1876007388110454
Energy: 1.8404165115475961
Energy: 2.038340657672936
Energy: 1.8978908138232768
Energy: 2.038340657672936
Energy: 1.8404165115468918
Energy: 2.038340657672936
Energy: 1.832812622727388
Energy: 2.092977291567324
Energy: 1.8947254007668637
Energy: 2.092977291566619
Energy: 1.832812622727388
Energy: 2.092977291566619
Energy: 1.8392647986925215
Energy: 2.094687104176751
Energy: 1.8837742055709266
Energy: 2.116428389867467
Energy: 1.8392647986925215
Energy: 2.0645073365327993
Energy: 1.8399463614426121
Energy: 2.1334832212453727
Energy: 1.848086122542414
Energy: 2.1334832212453727
Energy: 1.8399463614433167
Energy: 2.1334832212453727
Energy: 1.8361070793382162
Energy: 2.042781077171875
Energy: 1.84805570888562
Energy: 2.042781077171875
Energy: 1.8361070793375114
Energy: 2.042781077171875
Energy: 1.8386267317568885
Energy: 2.094597343395391
Energy: 1.82360853734905
Energy: 2.094597343395391
Energy: 1.8386267317568885
Energy: 2.094597343395391
Energy: 1.8468731506092815
Energy: 2.0878386689058077
Energy: 1.8444308957273525
Energy: 2.065190844521876
Energy: 1.8468731506092815
Energy: 2.0960813092771398
Energy: 1.8399772948949646
Energy: 2.0420440604053605
Energy: 1.8332501874016964
Energy: 2.0420440604053605
Energy: 1.8399772948949646
Energy: 2.0420440604053605
Energy: 1.842439810195614
Energy: 2.0989814334639405
Energy: 1.8250659459724792
Energy: 2.0989814334639405
Energy: 1.842439810195614
Energy: 2.0989814334639405
Energy: 1.9214293634778745
Energy: 2.0374823098173347
Energy: 1.916324877047736
Energy: 2.0374823098173347
Energy: 1.9214293634785786
Energy: 2.0374823098173347
Energy: 1.8977445162505118
Energy: 2.0943465329320903
Energy: 1.8397360057768384
Energy: 2.0943465329327955
Energy: 1.8977445162505118
Energy: 2.0943465329320903
Energy: 1.8949899485088144
Energy: 2.1096684493362257
Energy: 1.8691014410668632
Energy: 2.1096684493362257
Energy: 1.8949899485088144
Energy: 2.1096684493355204
Energy: 1.8838091013498433
Energy: 1.8573581575049791
Energy: 1.8382842766543441
Energy: 1.9682273325380473
Energy: 1.8838091013491383
Energy: 1.8368302887070764
Energy: 1.8336304482110586
Energy: 1.807390311812135
Energy: 1.8381169272301943
Energy: 1.8073903118128398
Energy: 1.8336304482110586
Energy: 1.8073903118114307
Energy: 1.8943785123454067
Energy: 2.121916703420918
Energy: 1.8368593350335904
Energy: 2.1219167034216224
Energy: 1.894378512346111
Energy: 2.1219167034216224
Energy: 1.8234663711683696
Energy: 2.1165098418429062
Energy: 1.8403567568467003
Energy: 2.1165098418429062
Energy: 1.8234663711676649
Energy: 2.1165098418443162
Energy: 1.843708939645127
Energy: 2.0418384597896577
Energy: 1.8423858234591146
Energy: 2.041838459790362
Energy: 1.843708939645127
Energy: 2.0418384597896577
Energy: 1.870224204859589
Energy: 2.043674486384426
Energy: 1.8340013287246468
Energy: 2.043674486383721
Energy: 1.870224204859589
Energy: 2.043674486383721
Energy: 1.82593845624386
Energy: 2.178732608507882
Energy: 1.842140224324705
Energy: 2.178732608507882
Energy: 1.8259384562431555
Energy: 2.1787326085085867
Energy: 1.875186376123722
Energy: 1.8759588708253374
Energy: 1.8447359388462705
Energy: 1.8759588708253374
Energy: 1.8751863761251308
Energy: 1.8759588708253374
Energy: 1.824499653881316
Energy: 2.0442708718124183
Energy: 1.8419230821725208
Energy: 2.0442708718131226
Energy: 1.8244996538820208
Energy: 2.0442708718131226
Energy: 1.8389340169991462
Energy: 2.030123873111057
Energy: 1.840321866790475
Energy: 2.030123873111057
Energy: 1.8389340169998505
Energy: 2.0301238731117617
Energy: 1.8391588520790025
Energy: 2.074326123432256
Energy: 1.9200283910540352
Energy: 2.0968444635788432
Energy: 1.8391588520797073
Energy: 2.074326123432256
Energy: 1.8400710246627354
Energy: 2.0605108865749218
Energy: 1.8341817374490013
Energy: 2.0605108865749218
Energy: 1.8400710246634395
Energy: 2.0605108865749218
Energy: 1.8696770370029205
Energy: 2.1212622699485015
Energy: 1.894253109990458
Energy: 2.1212622699492067
Energy: 1.8696770370022162
Energy: 2.1212622699485015
Energy: 1.8377663215679294
Energy: 1.8080387799357147
Energy: 1.8066430709916415
Energy: 1.8080387799343056
Energy: 1.8377663215679294
Energy: 1.8080387799343056
Energy: 1.8379240718439505
Energy: 1.8081426913479715
Energy: 1.8092513765995113
Energy: 1.8081426913479715
Energy: 1.8379240718446552
Energy: 1.8081426913486762
Energy: 1.9728992082961851
Energy: 2.1427751191962536
Energy: 1.9715074459446942
Energy: 2.1427751191962536
Energy: 1.9728992082961851
Energy: 2.1427751191962536
Energy: 1.8423750057211663
Energy: 2.0236201109566716
Energy: 1.8089041770553942
Energy: 2.023620110955967
Energy: 1.8423750057211663
Energy: 2.023620110955967
Energy: 1.8394065850403938
Energy: 2.098461890679104
Energy: 1.8387986615294292
Energy: 2.098461890679104
Energy: 1.8394065850396892
Energy: 2.098461890679104
Energy: 1.8697520412807582
Energy: 2.0317626556562214
Energy: 1.847312584822336
Energy: 2.0317626556562214
Energy: 1.8697520412807582
Energy: 2.0317626556562214
Energy: 1.8401197882254465
Energy: 2.178838211728928
Energy: 1.8480311229247666
Energy: 2.1788382117296328
Energy: 1.8401197882254465
Energy: 2.17883821172611

minimum gb energy = 1.8066430709916415 eV
minimum distance =  2.44543758618458 Angstroms
sigma value = 33


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

Energy: 0.01968987536544015
Energy: 0.020004217166350403
Energy: 11.95301854429913
Energy: 0.020004217166350403
Energy: 0.01968987536544015
Energy: 0.020004217166903277
Energy: 0.0199516810513856
Energy: 1.0330412587845108
Energy: 0.0199516810513856
Energy: 1.0330412587845108
Energy: 0.0199516810513856
Energy: 1.0330412587845108
Energy: 7.092458301122079
Energy: 0.020004217166903277
Energy: 0.01968987536544015
Energy: 0.020004217166903277
Energy: 11.938494459292867
Energy: 0.020004217166903277
Energy: 0.0199516810513856
Energy: 1.0330412587845108
Energy: 0.0199516810513856
Energy: 1.0330412587845108
Energy: 0.01995168105193847
Energy: 1.0330412587845108

minimum gb energy = 0.01968987536544015 eV
minimum distance =  2.6984647763517 Angstroms
sigma value = 1