Model name: model_name=EAM_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5199999883770943
cohesive_energy=4.450349977830181
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 7.7715611723761e-16 eV

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

Energy: 0.018160093544943686
Energy: 0.8918654077739346
Energy: 0.018160093545935976
Energy: 0.8918654077739346
Energy: 0.01816009354464967
Energy: 0.8918654077732731
Energy: 0.8918654077729423
Energy: 0.5616111562581272
Energy: 0.8918654077726116
Energy: 0.5616111562597441
Energy: 0.8918654077732731
Energy: 0.5616111562581272
Energy: 0.01816009354622999
Energy: 0.8918654077729423
Energy: 0.01816009354622999
Energy: 0.8918654077732731
Energy: 0.018160093545935976
Energy: 0.8918654077732731
Energy: 0.8918654077732731
Energy: 0.5616111562575024
Energy: 0.8918654077732731
Energy: 1.050311969615788
Energy: 0.8918654077736039
Energy: 1.295293128366907
Energy: 0.018160093545935976
Energy: 0.8918654077739346
Energy: 0.01816009354622999
Energy: 0.8918654077726116
Energy: 0.018160093544318908
Energy: 0.8918654077736039
Energy: 0.8918654077729423
Energy: 0.5616111562584578
Energy: 0.8918654077729423
Energy: 1.295293128368524
Energy: 0.8918654077736039
Energy: 0.5616111562587887

minimum gb energy = 0.018160093544318908 eV
minimum distance =  2.45457911710275 Angstroms
sigma value = 1


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

Energy: 1.2788128564305383
Energy: 1.1835943014996506
Energy: 1.2007690939263354
Energy: 1.1835943014932813
Energy: 1.2788128564321308
Energy: 1.183594301496466
Energy: 1.366845564230302
Energy: 1.0960895495053795
Energy: 1.3668455642398563
Energy: 1.0960895495045835
Energy: 1.3668455642310982
Energy: 1.0960895495053795
Energy: 1.2521017812988235
Energy: 1.2010505235620281
Energy: 1.2521017812956388
Energy: 1.201050523561232
Energy: 1.252101781296435
Energy: 1.2010505235604358
Energy: 1.272250244853625
Energy: 1.1336426407304805
Energy: 1.2722502448599946
Energy: 1.133642640728888
Energy: 1.272250244858402
Energy: 1.1336426407272957
Energy: 1.2316322292861224
Energy: 1.2466621530080197
Energy: 1.2316322292901032
Energy: 1.2466621530088158
Energy: 1.2316322292956767
Energy: 1.2466621530104083
Energy: 1.2762243568192353
Energy: 1.1181927037472712
Energy: 1.2762243568176428
Energy: 1.118192703750456
Energy: 1.2762243568168468
Energy: 1.1181927037472712
Energy: 1.1925633326354839
Energy: 1.0681866309711479
Energy: 1.192563332645038
Energy: 1.068186497661316
Energy: 1.192563332649019
Energy: 1.0681867634271018
Energy: 1.1394611874324
Energy: 1.2653615632709172
Energy: 1.1394611874379734
Energy: 1.265361563270121
Energy: 1.1394611874371774
Energy: 1.2653615632725095
Energy: 1.2571102620375485
Energy: 1.264462083635878
Energy: 1.2571102620383448
Energy: 1.2644620836350817
Energy: 1.2571102620399373
Energy: 1.2644620836342855
Energy: 1.076562530461484
Energy: 1.3311197256942475
Energy: 1.0765625304559108
Energy: 1.3311197256997485
Energy: 1.0765625304575033
Energy: 1.3311197256981562
Energy: 1.196506910331044
Energy: 1.1582731777690378
Energy: 1.1965069103326362
Energy: 1.1582731777658533
Energy: 1.1965069103334327
Energy: 1.1582731777650568
Energy: 1.1256330275304767
Energy: 1.2038105799835637
Energy: 1.1255865382628436
Energy: 1.2038103393591513
Energy: 1.1256330275296804
Energy: 1.2038100911121579
Energy: 1.3598200586776492
Energy: 1.122530274769781
Energy: 1.3598200586768527
Energy: 1.1225302747705772
Energy: 1.359820058686407
Energy: 1.1225302747705772
Energy: 1.177102490650704
Energy: 1.2692847868648867
Energy: 1.1771126014047604
Energy: 1.2692847868672752
Energy: 1.1771024906562773
Energy: 1.2692847868688677
Energy: 1.4036915979307232
Energy: 1.152643553184312
Energy: 1.3250676649524158
Energy: 1.1526435531779422
Energy: 1.4036915979299267
Energy: 1.1526435531779422
Energy: 1.403455847238547
Energy: 1.2119566094489296
Energy: 1.3251432560404055
Energy: 1.2119566094489296
Energy: 1.4034558472393432
Energy: 1.2119566094481335
Energy: 1.2440620848995214
Energy: 1.1772049223488041
Energy: 1.2440620849019102
Energy: 1.1772049223511927
Energy: 1.2440620848979291
Energy: 1.1772049223456194
Energy: 1.2447222494787542
Energy: 1.143796249393014
Energy: 1.2447222494819388
Energy: 1.1437962494025686
Energy: 1.244722249483531
Energy: 1.1437962494017724
Energy: 1.2234314856818087
Energy: 1.132941274094681
Energy: 1.2234314856802164
Energy: 1.1329412740962732
Energy: 1.2234314856841975
Energy: 1.1329412740986617
Energy: 1.2978899904470775
Energy: 1.118497785386023
Energy: 1.2978899904430965
Energy: 1.1184977853915963
Energy: 1.2978899904502623
Energy: 1.1184977853900038
Energy: 1.1330519151517033
Energy: 1.1383761420248255
Energy: 1.1330519151524996
Energy: 1.1383763406513585
Energy: 1.1330519151572767
Energy: 1.138375943762731
Energy: 1.282409596102688
Energy: 1.2572302449444297
Energy: 1.2817062719017593
Energy: 1.2572302449444297
Energy: 1.2824095960971147
Energy: 1.2572302449444297
Energy: 1.0978895669216915
Energy: 1.362682288494046
Energy: 1.0978895669208952
Energy: 1.362682288490065
Energy: 1.097889566923284
Energy: 1.362682288494046

minimum gb energy = 1.068186497661316 eV
minimum distance =  2.22391207153485 Angstroms
sigma value = 33


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

Energy: 1.3625606529324312
Energy: 1.2671375457665413
Energy: 1.2597529118067694
Energy: 1.26713754577424
Energy: 1.362560652927038
Energy: 1.267137545770617
Energy: 1.2738971007145696
Energy: 1.0750350289444852
Energy: 1.2738971003832331
Energy: 1.0750350289395039
Energy: 1.2738971000649888
Energy: 1.0750350289503725
Energy: 1.0350786077978438
Energy: 0.9198883252975577
Energy: 1.0350786074583558
Energy: 0.9198883223135546
Energy: 1.0350786070273879
Energy: 0.9198883203327004
Energy: 0.9531419534786001
Energy: 0.9174810248970854
Energy: 0.9531419493828418
Energy: 0.9174810248930095
Energy: 0.9531419562208939
Energy: 0.917481024894821
Energy: 1.1604959872887783
Energy: 0.9718475320245279
Energy: 1.1604959872308522
Energy: 0.9718475522339436
Energy: 1.1604959871733376
Energy: 0.9718475551074875
Energy: 1.0295893091513955
Energy: 1.0910631544976843
Energy: 1.0295893093818242
Energy: 1.0351207783468046
Energy: 1.0295893105904523
Energy: 1.0910631544990432
Energy: 1.0714770634700421
Energy: 1.0226924351429487
Energy: 1.0701392067468525
Energy: 1.0386561063202207
Energy: 1.0714770579823254
Energy: 1.0226924361628125
Energy: 1.0969763188844603
Energy: 1.0552137428158797
Energy: 1.0969620763140067
Energy: 1.0552137440439402
Energy: 1.096976318882196
Energy: 1.0552137448533427
Energy: 1.0957078867511587
Energy: 1.1121374300323386
Energy: 1.0957078867457244
Energy: 1.1121374300323386
Energy: 1.095707886743007
Energy: 1.1121374300336972
Energy: 1.1090812308778013
Energy: 1.0252489456444511
Energy: 1.1067342589531564
Energy: 1.025248952037949
Energy: 1.1090812308737668
Energy: 1.0252489560463445
Energy: 1.1774184888379446
Energy: 1.1350122588344445
Energy: 1.177418488842926
Energy: 1.135012258832633
Energy: 1.1774184888343215
Energy: 1.1350122588339917
Energy: 1.1495399472215457
Energy: 1.1766354978283367
Energy: 1.1495402620434176
Energy: 1.176635497830601
Energy: 1.1495399472129413
Energy: 1.1766354978296953
Energy: 1.014250774384244
Energy: 1.1231030906477606
Energy: 1.0144243052736945
Energy: 1.123103090643232
Energy: 1.0142507759540977
Energy: 1.1231030906441375
Energy: 1.3041457815393311
Energy: 1.0733840081813946
Energy: 1.3041516259490118
Energy: 1.073143005041828
Energy: 1.3041457815348023
Energy: 1.0733840077694885
Energy: 1.2014122744083264
Energy: 1.0801454107601662
Energy: 1.201412274410138
Energy: 1.080145410764242
Energy: 1.2014122744006277
Energy: 1.0801454107579018
Energy: 1.090734075274828
Energy: 0.9225447322564752
Energy: 1.090734075273922
Energy: 0.9225450972793812
Energy: 1.0907340752793566
Energy: 0.9225453771266623
Energy: 1.0179853182830199
Energy: 1.0428188784120658
Energy: 1.0179853185025796
Energy: 1.0428188784116128
Energy: 1.0179853187723666
Energy: 1.0428188784098014
Energy: 1.0121602878126668
Energy: 1.1140274424755692
Energy: 1.0121602887759626
Energy: 1.1070101689285055
Energy: 1.0121602896840087
Energy: 1.1140274424665118
Energy: 1.1451429920656362
Energy: 0.9507985308060487
Energy: 1.1451429920679006
Energy: 0.9986337038174259
Energy: 1.1451429920633718
Energy: 0.9507985308947702
Energy: 1.2634767753253995
Energy: 1.2959596713167254
Energy: 1.2634767753263054
Energy: 1.2442083393226662
Energy: 1.2634767753213236
Energy: 1.2959596713257828
Energy: 1.0360537145067292
Energy: 1.0843763875973083
Energy: 1.0360537145049178
Energy: 1.0843763909203463
Energy: 1.0360537145062763
Energy: 1.0843763937313942
Energy: 0.9243344285488505
Energy: 1.106950005110608
Energy: 0.9243344285556436
Energy: 1.1069500051187597
Energy: 0.9243344285597195
Energy: 1.1069500051382328
Energy: 1.132317947005059
Energy: 1.0586056522396345
Energy: 1.1323092636577061
Energy: 1.0586056522382759
Energy: 1.1323179469946432
Energy: 1.0586056525967844
Energy: 1.2073467163548193
Energy: 1.1598700167750855
Energy: 1.2073467163616123
Energy: 1.1598700167605938
Energy: 1.2073467163502904
Energy: 1.159870016752442
Energy: 1.1130876836654113
Energy: 1.0295812800789443
Energy: 1.035147263335508
Energy: 1.029581282890445
Energy: 1.1130876836780916
Energy: 1.0295812846558567
Energy: 1.0754988555201577
Energy: 1.2339066751469083
Energy: 0.9598745075897219
Energy: 1.233906675144644
Energy: 1.0754988330732338
Energy: 1.2339066751455496
Energy: 1.0643540324339398
Energy: 0.9213489639684097
Energy: 0.957378552219498
Energy: 0.9213489640227129
Energy: 1.0643540353952994
Energy: 0.9213489640734346
Energy: 1.1125909191301606
Energy: 1.0750638487907787
Energy: 1.112590919136048
Energy: 1.0750638487934958
Energy: 1.112590919160503
Energy: 1.0750638487953073
Energy: 1.0264862306003664
Energy: 1.1292325678559352
Energy: 1.026486199344005
Energy: 1.1292325678505006
Energy: 1.026486165481211
Energy: 1.1292325678464248
Energy: 1.1322971729813631
Energy: 1.0518906385246376
Energy: 1.1322971729822686
Energy: 1.0518906385182976
Energy: 1.1322971729795517
Energy: 1.0518906385083342
Energy: 1.1759210674394063
Energy: 1.111884863628056
Energy: 1.175921067457521
Energy: 1.1120467162965435
Energy: 1.175921067469296
Energy: 1.1118848637547774
Energy: 1.1228116079430395
Energy: 1.0635685862980393
Energy: 1.1228116079398696
Energy: 1.1083841077805494
Energy: 1.1228116079443982
Energy: 1.063568586299398
Energy: 1.28745381936268
Energy: 1.2442539227661864
Energy: 1.287741752365772
Energy: 1.2960183898316817
Energy: 1.2874538193631329
Energy: 1.244253922757129
Energy: 1.0767669059650118
Energy: 1.1833061752920844
Energy: 1.0767669059632003
Energy: 1.183306175283027
Energy: 1.0767669059555016
Energy: 1.183306175278951
Energy: 0.9204359591270802
Energy: 1.0349292471711111
Energy: 0.9204359539951961
Energy: 1.0349292176131775
Energy: 0.9204359415313843
Energy: 1.0349291226155801
Energy: 0.9175994564479467
Energy: 1.020292816711396
Energy: 0.9175994564488525
Energy: 1.02029281732837
Energy: 0.917599456450664
Energy: 1.020292817660612
Energy: 1.1061689942614956
Energy: 1.1593796058819028
Energy: 1.1045724912553783
Energy: 1.1593796059371118
Energy: 1.1061689942578725
Energy: 1.159379605942999
Energy: 1.0386233057317007
Energy: 1.1415500902942264
Energy: 1.0391082652950248
Energy: 1.141550090292868
Energy: 1.0386233070978867
Energy: 1.1415500902946794
Energy: 1.3039760806143612
Energy: 1.293898915281214
Energy: 1.3039818058909727
Energy: 1.0710514306854562
Energy: 1.303976080608474
Energy: 1.293898915284837
Energy: 1.0755904979357065
Energy: 1.096547275088885
Energy: 1.075590515329052
Energy: 1.0968478339875936
Energy: 1.0755905333090698
Energy: 1.0965472750866208
Energy: 1.149399325681597
Energy: 1.0937464815201114
Energy: 1.1493993256865376
Energy: 1.0937464815264517
Energy: 1.149399325688802
Energy: 1.0937464815241873

minimum gb energy = 0.9174810248930095 eV
minimum distance =  2.35377552642455 Angstroms
sigma value = 51


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

Energy: 1.1782040619251444
Energy: 1.2042424198658919
Energy: 1.1782040619240952
Energy: 1.204242419866941
Energy: 1.1782040619251444
Energy: 1.204242419866941
Energy: 1.2866542203473956
Energy: 1.1419022602714402
Energy: 1.2866542203484448
Energy: 1.1419022602724893
Energy: 1.2866542203473956
Energy: 1.1419022602724893
Energy: 1.1314959223778016
Energy: 1.185421366757174
Energy: 1.1314959223799
Energy: 1.1854213667592726
Energy: 1.1314959223788508
Energy: 1.185421366754026
Energy: 1.1788649677317597
Energy: 1.0589787864241857
Energy: 1.1788649677317597
Energy: 1.058978786425235
Energy: 1.1788649677307104
Energy: 1.0589787864231366
Energy: 1.2065401126451591
Energy: 1.1410303228941636
Energy: 1.2065401126441098
Energy: 1.1410303228910634
Energy: 1.2065401126462083
Energy: 1.1410303228931145
Energy: 1.2033234169937332
Energy: 1.1406511870661569
Energy: 1.2033234169916347
Energy: 1.1406511870609106
Energy: 1.2033234169863882
Energy: 1.1406511870630092
Energy: 1.1956453065572052
Energy: 1.1406068764978232
Energy: 1.1956453065603534
Energy: 1.1406068764978232
Energy: 1.1956453065582546
Energy: 1.1406068764999218
Energy: 1.1100244363514946
Energy: 1.141879314263375
Energy: 1.110024436352544
Energy: 1.1418793142623256
Energy: 1.110024436352544
Energy: 1.1418793142675723
Energy: 1.3533256849572952
Energy: 1.0589817308624685
Energy: 1.353325684959394
Energy: 1.0589817308635179
Energy: 1.3533256849614925
Energy: 1.0589817308635179
Energy: 1.0845156048854712
Energy: 1.3528437813654863
Energy: 1.0845156048865205
Energy: 1.3528437813654863
Energy: 1.0845156048854712
Energy: 1.3528437813654863
Energy: 1.2783814282984622
Energy: 1.0752341914136156
Energy: 1.278381428297413
Energy: 1.0752341914136156
Energy: 1.278381428297413
Energy: 1.0752341914125663
Energy: 1.176413297077592
Energy: 1.2066221975185005
Energy: 1.1764132970786414
Energy: 1.2066221975174514
Energy: 1.1764132970765429
Energy: 1.20662219751955
Energy: 1.2807543034171522
Energy: 1.1411090929420598
Energy: 1.280754277878203
Energy: 1.1411090929410104
Energy: 1.2807541947051309
Energy: 1.1411090929420598
Energy: 1.131558739789475
Energy: 1.1251222738562765
Energy: 1.1315587397905245
Energy: 1.1251222738552271
Energy: 1.1315587397915736
Energy: 1.1251222738562765
Energy: 1.1795175186431497
Energy: 1.1878577814988085
Energy: 1.1795175186462974
Energy: 1.1878577814977593
Energy: 1.1795175186452482
Energy: 1.1878577814977593
Energy: 1.203519225422638
Energy: 1.140731653691542
Energy: 1.2035192254236873
Energy: 1.140731653691542
Energy: 1.2035192254236873
Energy: 1.1407316536925913
Energy: 1.205277833637924
Energy: 1.2346314724771494
Energy: 1.2052778336368748
Energy: 1.2346314724771494
Energy: 1.2052778336389733
Energy: 1.2346314724802974
Energy: 1.177333451699109
Energy: 1.1456418225874718
Energy: 1.177333451699109
Energy: 1.1456418225874718
Energy: 1.177333451699109
Energy: 1.1456418225874718

minimum gb energy = 1.0589787864231366 eV
minimum distance =  2.21541508272601 Angstroms
sigma value = 19


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

Energy: 1.1804648285653336
Energy: 1.223148795593611
Energy: 0.9850069240655099
Energy: 1.2231487955886313
Energy: 1.1804648285665786
Energy: 1.223148795589254
Energy: 1.2103014572923745
Energy: 1.1092417625841764
Energy: 1.2103014581210576
Energy: 1.109241762587911
Energy: 1.210301458763074
Energy: 1.109241762586666
Energy: 1.146052163029002
Energy: 0.9647151338425559
Energy: 1.146052163030869
Energy: 0.9647151261884335
Energy: 1.146052163029002
Energy: 0.964715127368637
Energy: 1.1104699676284961
Energy: 1.1463178709653215
Energy: 1.1104699679016212
Energy: 1.146103831649605
Energy: 1.1104699680061296
Energy: 1.1463178709671884
Energy: 1.1737836513992128
Energy: 0.9964917688562944
Energy: 1.1737836513985904
Energy: 0.9960212377044467
Energy: 1.1737836513961006
Energy: 0.9964917688463643
Energy: 0.928680603747223
Energy: 0.9958602306187438
Energy: 0.9286806037478456
Energy: 0.9964089006673597
Energy: 0.9286806037441109
Energy: 0.9958602306106524
Energy: 0.9782683329006376
Energy: 1.1463379007360193
Energy: 0.9782683329000154
Energy: 1.1463379007353969
Energy: 0.9782683329018826
Energy: 1.146337900733558
Energy: 1.1464768793414957
Energy: 1.2460023905771807
Energy: 1.146280913560049
Energy: 1.2460023914550342
Energy: 1.146476879342712
Energy: 1.246002391950869
Energy: 1.1011012365917894
Energy: 1.2270914532658184
Energy: 1.1080549902660535
Energy: 1.227091453266441
Energy: 1.1011012365917894
Energy: 1.227091453266441
Energy: 1.1156934275042691
Energy: 1.2231487955904987
Energy: 0.9850069240661323
Energy: 1.223148795589876
Energy: 1.1156934275030244
Energy: 1.2231487955873865
Energy: 1.2103014572693451
Energy: 1.1092417625841764
Energy: 1.2103014579518183
Energy: 1.1092417625860436
Energy: 1.2103014586063117
Energy: 1.1092417625872886
Energy: 1.1460521630271345
Energy: 0.9647151386759135
Energy: 1.146052163029002
Energy: 0.9647151314174744
Energy: 1.1460521630283793
Energy: 0.9647151307916124
Energy: 1.110469967455551
Energy: 1.1461170741254554
Energy: 1.1104699676471685
Energy: 1.146118827472076
Energy: 1.1104699677803078
Energy: 1.1461170741316797
Energy: 1.1737836513992128
Energy: 0.9967345897807895
Energy: 1.173783651397968
Energy: 0.9960212377044467
Energy: 1.1737836513973456
Energy: 0.9967345898162386
Energy: 0.9286806037497127
Energy: 0.9956020765505922
Energy: 0.9286806037478456
Energy: 0.9964089006698493
Energy: 0.9286806037447334
Energy: 0.9956020765922937
Energy: 0.9782683329031273
Energy: 1.1463379007341803
Energy: 0.9782683329000154
Energy: 1.1463379007341803
Energy: 0.9782683329000154
Energy: 1.146337900733558
Energy: 1.146459187009999
Energy: 1.2460023907526439
Energy: 1.146272215194449
Energy: 1.2460023915999712
Energy: 1.146459187011244
Energy: 1.2460023921536902
Energy: 1.0473166462079104
Energy: 1.227091453266441
Energy: 1.1080549901913925
Energy: 1.2270914532670634
Energy: 1.0473166462079104
Energy: 1.2270914532658184
Energy: 1.1804648285647112
Energy: 1.223148795593611
Energy: 0.9850069240655099
Energy: 1.2231487955848972
Energy: 1.1804648285653336
Energy: 1.2231487955886313
Energy: 1.210301457357077
Energy: 1.1092417625885331
Energy: 1.2103014581223024
Energy: 1.109241762585421
Energy: 1.2103014587232679
Energy: 1.1092417625847988
Energy: 1.1460521630271345
Energy: 0.964715134296095
Energy: 1.1460521630277571
Energy: 0.9647151280760066
Energy: 1.146052163029002
Energy: 0.9647151261971472
Energy: 1.1104699676838623
Energy: 1.1463178709659436
Energy: 1.1104699678474999
Energy: 1.14610383165085
Energy: 1.1104699680179555
Energy: 1.1463178709690556
Energy: 1.1737836514004576
Energy: 0.996491768851966
Energy: 1.1737836513998354
Energy: 0.9960212377112933
Energy: 1.1737836513998354
Energy: 0.9964917688612738
Energy: 0.928680603747223
Energy: 0.9958602306212336
Energy: 0.9286806037478456
Energy: 0.9964089006710941
Energy: 0.9286806037453558
Energy: 0.9958602306062956
Energy: 0.9782683329018826
Energy: 1.1463379007360193
Energy: 0.9782683329000154
Energy: 1.1463379007348027
Energy: 0.9782683329006376
Energy: 1.1463379007341803
Energy: 1.146476879342712
Energy: 1.2460023905628936
Energy: 1.146280913560671
Energy: 1.246002391380373
Energy: 1.146476879342712
Energy: 1.246002391923483
Energy: 1.1011012365967687
Energy: 1.2270914532670634
Energy: 1.1080549902038406
Energy: 1.2270914532670634
Energy: 1.101101236593034
Energy: 1.2270914532670634
Energy: 1.1156934275042691
Energy: 1.2231487955948557
Energy: 0.9850069240661323
Energy: 1.223148795589254
Energy: 1.115693427503647
Energy: 1.2231487955917433
Energy: 1.2103014571934394
Energy: 1.1092417625891557
Energy: 1.2103014580208775
Energy: 1.1092417625860436
Energy: 1.2103014586168923
Energy: 1.109241762587911
Energy: 1.1460521630283793
Energy: 0.9647151393608762
Energy: 1.146052163029002
Energy: 0.964715135564002
Energy: 1.1460521630283793
Energy: 0.9647151327780923

minimum gb energy = 0.9286806037441109 eV
minimum distance =  2.27815444848659 Angstroms
sigma value = 27


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

Energy: 0.9736732893156002
Energy: 0.9480534215841556
Energy: 0.9736732893156002
Energy: 0.9480534215841556
Energy: 0.9736732893140756
Energy: 0.9480534215841556
Energy: 1.1245216574740398
Energy: 0.9879744791631545
Energy: 1.1245216574740398
Energy: 0.9879744791662036
Energy: 1.1245216574740398
Energy: 0.9879744791631545
Energy: 0.9198911117135458
Energy: 1.1049523335257836
Energy: 0.9198911117150703
Energy: 1.1049523335273082
Energy: 0.9198911117135458
Energy: 1.1049523335257836
Energy: 1.08806114398412
Energy: 0.9148731656967414
Energy: 1.08806114398412
Energy: 0.9148731656936921
Energy: 1.0880611439825953
Energy: 0.9148731656967414
Energy: 1.1659650609474266
Energy: 0.9146936132372544
Energy: 1.1659650609520005
Energy: 0.9146936132372544
Energy: 1.1659650609504757
Energy: 0.9146936132372544
Energy: 1.1118457863485047
Energy: 1.1563952814995626
Energy: 1.11184578634698
Energy: 1.1563952814995626
Energy: 1.11184578634698
Energy: 1.156395281502612
Energy: 0.996093681684735
Energy: 0.9898836450387489
Energy: 0.996093681684735
Energy: 0.9898836450387489
Energy: 0.996093681684735
Energy: 0.9898836450372244
Energy: 0.9706221994699105
Energy: 0.9494175584565796
Energy: 0.9706221994699105
Energy: 0.9494175584550552
Energy: 0.9706221994714351
Energy: 0.9494175584565796
Energy: 1.041592985159354
Energy: 0.9961147248827554
Energy: 1.041592985162403
Energy: 0.9961147222341992
Energy: 1.0415929851639276
Energy: 0.9961147222357236
Energy: 1.0960699376226521
Energy: 1.1112153184738387
Energy: 1.0960699376211276
Energy: 1.1112153184692648
Energy: 1.0960699376226521
Energy: 1.1112153184677402
Energy: 0.9973958151154128
Energy: 0.9148644850048642
Energy: 0.9973958151154128
Energy: 0.9148644850048642
Energy: 0.9973958151154128
Energy: 0.9148644850033395
Energy: 1.1641024896063827
Energy: 1.0418966787819057
Energy: 1.164102489609432
Energy: 1.041896678784955
Energy: 1.1641024896048584
Energy: 1.0418966787864796

minimum gb energy = 0.9146936132372544 eV
minimum distance =  2.20334168901046 Angstroms
sigma value = 9


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

Energy: 1.088958497335244
Energy: 0.9114543490817029
Energy: 1.0889584973369575
Energy: 0.9114543490825595
Energy: 1.0889584973343873
Energy: 0.9114543490834162
Energy: 0.924804057663236
Energy: 0.8964068208549654
Energy: 0.9248039002622198
Energy: 0.896406820853252
Energy: 0.9248035065654129
Energy: 0.8964068208528234
Energy: 0.8474783950929627
Energy: 0.9362041115765801
Energy: 0.8474783950912492
Energy: 0.9362041115757234
Energy: 0.8474783950942479
Energy: 0.9362041115744383
Energy: 0.9056709016567562
Energy: 0.8844783056001685
Energy: 0.9056709016576129
Energy: 0.8844783055993116
Energy: 0.9056709016546144
Energy: 0.8844783056053089
Energy: 0.9709118476186607
Energy: 0.9091645173135272
Energy: 0.9709118476186607
Energy: 0.9091645173148123
Energy: 0.9709118476182322
Energy: 0.9091645173118137
Energy: 0.953601405793978
Energy: 0.9363876903103913
Energy: 0.953601405793978
Energy: 0.9363876903056791
Energy: 0.953601405793978
Energy: 0.9363876903086779
Energy: 0.8902569834571026
Energy: 0.972913012031865
Energy: 0.8902569834541041
Energy: 0.972913012031865
Energy: 0.8902569834601013
Energy: 0.9729130120305798
Energy: 0.8615213146763099
Energy: 0.9576764205661842
Energy: 0.8615213146758816
Energy: 0.9576764205670412
Energy: 0.8615213146763099
Energy: 0.9576764205661842
Energy: 0.9762928025339579
Energy: 0.9029112869143543
Energy: 0.9762928025339579
Energy: 0.9029112869126408
Energy: 0.9762928025339579
Energy: 0.9029112869143543
Energy: 0.9405648861739269
Energy: 0.8768892383860096
Energy: 0.9405648861709281
Energy: 0.876889238393292
Energy: 0.9405648861709281
Energy: 0.876889238394577
Energy: 0.9155253163258971
Energy: 0.8907887077686613
Energy: 0.9155253163271821
Energy: 0.8907887077669479
Energy: 0.9155253163250403
Energy: 0.8907887077690897
Energy: 0.8934315235701265
Energy: 0.8956561179908167
Energy: 0.8934315235688802
Energy: 0.8956561179848194
Energy: 0.893431523568452
Energy: 0.8956561179826775
Energy: 0.9415467070691577
Energy: 0.9297789229502437
Energy: 0.9415467070610187
Energy: 0.929778922952814
Energy: 0.9415467070631606
Energy: 0.929778922951957
Energy: 0.9578972147595584
Energy: 0.9588174562616314
Energy: 0.9578972147629853
Energy: 0.9588174562603462
Energy: 0.9578972147595584
Energy: 0.9588174562607746
Energy: 0.8405055436415949
Energy: 0.9481326595482755
Energy: 0.8405055436479816
Energy: 0.9481326595469904
Energy: 0.8405055436441652
Energy: 0.9481326595469904
Energy: 0.8974651981940732
Energy: 0.9178162499690239
Energy: 0.897465198188076
Energy: 0.917816249970309
Energy: 0.8974651981949299
Energy: 0.9178162499767346
Energy: 0.9623807429084774
Energy: 0.8481984088164027
Energy: 0.9623807429123328
Energy: 0.8481984088069785
Energy: 0.962380742908049
Energy: 0.8481984088018379
Energy: 0.8785685810296306
Energy: 0.90626877264159
Energy: 0.8785685810309158
Energy: 0.9062687726403049
Energy: 0.8785685810309158
Energy: 0.9062687726411618
Energy: 0.8577095918237742
Energy: 0.940514487281106
Energy: 0.8577095918220607
Energy: 0.9405144872806775
Energy: 0.8577095918263443
Energy: 0.9405144872841046
Energy: 1.0150419579440904
Energy: 0.869529734396276
Energy: 1.015041957945804
Energy: 0.8695297343945626
Energy: 1.0150419579432337
Energy: 0.8695297343992747
Energy: 0.8578592870328818
Energy: 0.9443666338744157
Energy: 0.8578592870315969
Energy: 0.9443666338688468
Energy: 0.8578592870285983
Energy: 0.9443666338718455
Energy: 0.8677009287911416
Energy: 0.9063109550428897
Energy: 0.8677009287932835
Energy: 0.9063109550433179
Energy: 0.8677009287967105
Energy: 0.9063109550433179
Energy: 1.0763424462523332
Energy: 0.847455387502015
Energy: 1.076342446255293
Energy: 0.8474553875003015
Energy: 1.0763424462536182
Energy: 0.8474553874917341
Energy: 0.875742368235954
Energy: 0.9179459461898717
Energy: 0.8757423682419513
Energy: 0.9179459461860163
Energy: 0.8757423682393811
Energy: 0.917945946189015
Energy: 0.8627297653637449
Energy: 0.9461433371615845
Energy: 0.8627297653641732
Energy: 0.9461433371645832
Energy: 0.8627297653641732
Energy: 0.9461433371637265
Energy: 0.9417661794706841
Energy: 0.95851290064874
Energy: 0.9417661794792516
Energy: 0.9585129006525953
Energy: 0.9417661794745394
Energy: 0.9585129006470264
Energy: 0.9064348877716554
Energy: 0.9275062536969538
Energy: 0.9064348877665149
Energy: 0.927506253701666
Energy: 0.9064348877737974
Energy: 0.9275062536995241
Energy: 0.894687163814207
Energy: 0.8821007859321671
Energy: 0.8946871638154922
Energy: 0.8821007859317389
Energy: 0.8946871638154922
Energy: 0.8821007859317389
Energy: 0.9001102346658755
Energy: 0.8908435855379322
Energy: 0.9001102346594498
Energy: 0.8908435855387892
Energy: 0.9001102346654472
Energy: 0.890843585537504
Energy: 0.9566157320835272
Energy: 0.8682270637576048
Energy: 0.9566157320753883
Energy: 0.86822706376699
Energy: 0.9566157320801003
Energy: 0.8682270637640302
Energy: 0.9573665568771647
Energy: 0.9067232752368235
Energy: 0.9573665568767362
Energy: 0.9067232752406789
Energy: 0.9573665568763079
Energy: 0.9067232752355384
Energy: 0.8614359376005065
Energy: 0.9523978770441437
Energy: 0.8614359376017916
Energy: 0.9523978770450005
Energy: 0.8614359376000781
Energy: 0.9523978770437153
Energy: 0.9248188321163857
Energy: 1.0148688611968637
Energy: 0.9248188321180992
Energy: 1.014868861196007
Energy: 0.9248188321168141
Energy: 1.0148688611977206
Energy: 0.9582559304446371
Energy: 0.937605779256952
Energy: 0.9582559304416384
Energy: 0.9376057792633776
Energy: 0.9582559304369265
Energy: 0.9151884825802418
Energy: 0.9397209273273905
Energy: 0.9062164177647946
Energy: 0.9397209273291041
Energy: 0.90621641776865
Energy: 0.939720927327819
Energy: 0.9062164177639379
Energy: 0.9215566020730124
Energy: 0.884849486561817
Energy: 0.9215566020734408
Energy: 0.8848494865613885
Energy: 0.9215566020717273
Energy: 0.884849486563102
Energy: 0.8655627947030147
Energy: 0.9609926475969289
Energy: 0.8655627947042999
Energy: 0.9609926475990708
Energy: 0.8655627947051567
Energy: 0.9609926475990708
Energy: 0.9230340957778306
Energy: 0.8905617670890084
Energy: 0.9230340957850739
Energy: 0.8905617670898651
Energy: 0.9230340957799335
Energy: 0.8905617670890084
Energy: 0.9607932593521449
Energy: 0.9525489038705978
Energy: 0.9607932593457195
Energy: 0.9525489038701694
Energy: 0.9607932593504314
Energy: 0.9525489038705978
Energy: 0.9248040530221722
Energy: 0.8961461915415262
Energy: 0.9248039088729323
Energy: 0.8961461915410978
Energy: 0.9248034760702868
Energy: 0.8961461915406693
Energy: 0.8474783950968182
Energy: 0.9362041115804355
Energy: 0.8474783950938195
Energy: 0.9362041115791503
Energy: 0.8474783950946763
Energy: 0.9362041115770086
Energy: 0.9638687351036644
Energy: 0.8844157832349878
Energy: 0.9638687351058063
Energy: 0.8844157832375581
Energy: 0.963868735103236
Energy: 0.8844157832392716
Energy: 0.9709118476233337
Energy: 0.909164517315669
Energy: 0.9709118476233337
Energy: 0.9091645173139554
Energy: 0.9709118476229054
Energy: 0.9091645173152406

minimum gb energy = 0.8405055436415949 eV
minimum distance =  2.29861937413477 Angstroms
sigma value = 57


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

Energy: 0.7531518384902007
Energy: 0.6953199333096404
Energy: 0.41152990404733947
Energy: 0.69531993330769
Energy: 0.753151838492151
Energy: 0.6953199333096404
Energy: 0.8331457270479543
Energy: 0.682733774153946
Energy: 0.8331457270489293
Energy: 0.6825343695521393
Energy: 0.8331457270450289
Energy: 0.6827337741578466
Energy: 0.7481163167783554
Energy: 0.7783623679597953
Energy: 0.7481163167803057
Energy: 0.7858487828038289
Energy: 0.7481163167803057
Energy: 0.7783623679617455
Energy: 0.6958621678964323
Energy: 0.5814406866506416
Energy: 0.6958621678983826
Energy: 0.41076035084542467
Energy: 0.6958621679013081
Energy: 0.5814406866486914
Energy: 0.5406786174481337
Energy: 0.839369542774285
Energy: 0.5406786174530092
Energy: 0.8393695427733098
Energy: 0.540678617452034
Energy: 0.8393695427703844
Energy: 0.4108492196562604
Energy: 0.747305532394427
Energy: 0.41084921965431015
Energy: 0.7473055323963771
Energy: 0.41084921965431015
Energy: 0.7473055323983274
Energy: 0.41085380380751907
Energy: 0.46810484796341517
Energy: 0.4108538038084942
Energy: 0.46810484796244
Energy: 0.41085380380654396
Energy: 0.4681048479643903
Energy: 0.832573143636104
Energy: 0.5476826659973859
Energy: 0.8325731436331786
Energy: 0.5476826659973859
Energy: 0.8325731436331786
Energy: 0.5476826659964108
Energy: 0.6966297835088366
Energy: 0.410798510174187
Energy: 0.6966297835098118
Energy: 0.581455206136426
Energy: 0.6966297835088366
Energy: 0.4107985101761373
Energy: 0.46785614129721614
Energy: 0.7885032501894762
Energy: 0.4678561412952659
Energy: 0.7885032501933765
Energy: 0.4678561412952659
Energy: 0.7885032501924014
Energy: 0.5409320934541648
Energy: 0.6829839955110771
Energy: 0.5409320934512394
Energy: 0.6829839955120522
Energy: 0.5409320934551399
Energy: 0.6829839955130274
Energy: 0.7531518384872753
Energy: 0.69531993330769
Energy: 0.4115299040463643
Energy: 0.6953199333067149
Energy: 0.7531518384882505
Energy: 0.6953199333096404
Energy: 0.8331457270450289
Energy: 0.682733774153946
Energy: 0.8331457270450289
Energy: 0.6825343695540895
Energy: 0.8331457270440537
Energy: 0.6827337741558963
Energy: 0.7481163167764052
Energy: 0.7783623679617455
Energy: 0.7481163167803057
Energy: 0.7858487828067543
Energy: 0.7481163167793305
Energy: 0.7783623679617455
Energy: 0.6958621678964323
Energy: 0.5814406866506416
Energy: 0.6958621678974075
Energy: 0.4107603508463998
Energy: 0.6958621678974075
Energy: 0.5814406866496665
Energy: 0.5406786174491087
Energy: 0.8393695427733098
Energy: 0.5406786174500837
Energy: 0.839369542774285
Energy: 0.540678617452034
Energy: 0.8393695427713597
Energy: 0.41084921965431015
Energy: 0.7473055323963771
Energy: 0.4108492196513847
Energy: 0.7473055323983274
Energy: 0.41084921965431015
Energy: 0.7473055323993025
Energy: 0.41085380380654396
Energy: 0.4681048479643903
Energy: 0.4108538038084942
Energy: 0.4681048479643903
Energy: 0.41085380380751907
Energy: 0.46810484796244
Energy: 0.8325731436322035
Energy: 0.5476826659964108
Energy: 0.8325731436322035
Energy: 0.5476826659983611
Energy: 0.8325731436312284
Energy: 0.5476826659983611

minimum gb energy = 0.41076035084542467 eV
minimum distance =  2.42114130378769 Angstroms
sigma value = 11


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

Energy: 0.9508190219727493
Energy: 0.8928586274922656
Energy: 0.8283052928849057
Energy: 0.8928586274872654
Energy: 0.9508190219727493
Energy: 0.8928586274879796
Energy: 0.8686806967703674
Energy: 0.794423711275243
Energy: 0.8686806967639389
Energy: 0.7944237112688143
Energy: 0.8686806967567957
Energy: 0.7944237112652428
Energy: 0.9671267961346253
Energy: 1.1006338340048458
Energy: 0.967126796141054
Energy: 1.10063383400056
Energy: 0.9671267961360539
Energy: 1.1006338340012742
Energy: 0.9615792631815472
Energy: 0.8890636841573382
Energy: 0.9615792631872617
Energy: 0.889063684159481
Energy: 0.9615792631779757
Energy: 0.889063684159481
Energy: 0.8678825569439947
Energy: 0.8307747510008496
Energy: 0.8678293538124607
Energy: 0.8307747510001351
Energy: 0.8678825569497092
Energy: 0.8307747510008496
Energy: 0.9412889514407207
Energy: 0.888250230456713
Energy: 0.9412889514428635
Energy: 0.8882502304652847
Energy: 0.9412889514378635
Energy: 0.888250230465999
Energy: 0.8705701240462399
Energy: 0.820052791610474
Energy: 0.8705701240483827
Energy: 0.820052791610474
Energy: 0.8705701240462399
Energy: 0.820052791610474
Energy: 1.0706526026213758
Energy: 0.8041746722084938
Energy: 1.0706526026199474
Energy: 0.8041746722127796
Energy: 1.0706526026199474
Energy: 0.8041746722127796
Energy: 0.9711938015315903
Energy: 0.8017751266433104
Energy: 0.9711938015294472
Energy: 0.8017751266475962
Energy: 0.9711938015294472
Energy: 0.8017751266483105
Energy: 0.82638140045517
Energy: 1.1257878290113448
Energy: 0.8263807084459969
Energy: 1.1257878290034877
Energy: 0.826381400462313
Energy: 1.1257878290034877
Energy: 0.9618963020760464
Energy: 0.8404684498108946
Energy: 0.9618963020810466
Energy: 0.8404684527153768
Energy: 0.9618963020710463
Energy: 0.8404684471555741
Energy: 0.9453119102963524
Energy: 0.7282183178571566
Energy: 0.9453119102906379
Energy: 0.7282183178550138
Energy: 0.9453119102906379
Energy: 0.7282183178550138
Energy: 1.0335107613109715
Energy: 0.8930537223360652
Energy: 0.891763860887177
Energy: 0.893053722342494
Energy: 1.0335107613138288
Energy: 0.893053722342494
Energy: 0.9684425332329019
Energy: 0.9386492129854588
Energy: 0.96874508207333
Energy: 0.9386492129968876
Energy: 0.9684425332371878
Energy: 0.9386492130003943
Energy: 1.0044014711963036
Energy: 0.8562004802166768
Energy: 1.004401471202018
Energy: 0.8562004802166768
Energy: 1.0044014711955895
Energy: 0.8562004802316773
Energy: 0.9263356440727571
Energy: 0.8923904920337392
Energy: 0.8033760042536524
Energy: 0.8923904920294535
Energy: 0.9263356440713286
Energy: 0.8923904920315964
Energy: 0.8248311065546995
Energy: 0.7940270548839024
Energy: 0.8248311065568423
Energy: 0.7940270548781879
Energy: 0.8248311065525565
Energy: 0.7940270548753308
Energy: 1.218013561363515
Energy: 0.8679600446314351
Energy: 1.218013561363515
Energy: 0.8679600446314351
Energy: 1.2180135613728011
Energy: 0.867960044629292
Energy: 0.9002884519219437
Energy: 0.8860644375373312
Energy: 0.9002884519240866
Energy: 0.8860644375359025
Energy: 0.9002884519233723
Energy: 0.8860644375359025
Energy: 0.9450464678551324
Energy: 0.9680182521253299
Energy: 0.945059379461206
Energy: 0.968018252132473
Energy: 0.9450464678658469
Energy: 0.968018252132473
Energy: 0.8239296405727403
Energy: 0.8898030925375416
Energy: 0.8239296405663115
Energy: 0.8898030925382558
Energy: 0.8239296405748832
Energy: 0.8898030925368273
Energy: 0.8903014342091314
Energy: 0.8180036742420459
Energy: 0.8903014342091314
Energy: 0.8180036742434744
Energy: 0.8903014342019885
Energy: 0.818003674240617
Energy: 0.9585030345480929
Energy: 0.8571902529080175
Energy: 0.9585030345473786
Energy: 0.8571902529044461
Energy: 0.9585030345380929
Energy: 0.8571902529058747
Energy: 0.7851840003447106
Energy: 0.8636485846531388
Energy: 0.7851840003383468
Energy: 0.8636485846531388
Energy: 0.7851840003468535
Energy: 0.8636485846517102
Energy: 0.8239479047940973
Energy: 1.1237594631900518
Energy: 0.8237680291721857
Energy: 1.123760033587671
Energy: 0.8239479047940973
Energy: 1.1237596461815835
Energy: 1.3064560116905113
Energy: 0.8273939990271646
Energy: 1.3064560116883683
Energy: 0.8273939990228789
Energy: 1.30645601169194
Energy: 0.8273939990293075

minimum gb energy = 0.7282183178550138 eV
minimum distance =  2.23735835095685 Angstroms
sigma value = 41


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

Energy: 1.0147806094903236
Energy: 0.8601962530795588
Energy: 0.9177312078921352
Energy: 0.8601962530823738
Energy: 1.0147806094869458
Energy: 0.8601962530818108
Energy: 0.9528340739806525
Energy: 0.8823444001408242
Energy: 0.9528340739795265
Energy: 0.8823444001419503
Energy: 0.9528340739845933
Energy: 0.8823444001396982
Energy: 0.9624936676246654
Energy: 0.9846053487306481
Energy: 0.9624936676263545
Energy: 0.9846053487289591
Energy: 0.9624936676229764
Energy: 0.9846053487295221
Energy: 0.8762064712681188
Energy: 0.8661776167704842
Energy: 0.8762064712720598
Energy: 0.8661776167710472
Energy: 0.8762064712686818
Energy: 0.8661776167716102
Energy: 0.8273561130235484
Energy: 0.9038533499584693
Energy: 0.8273609943494328
Energy: 0.9038533499607214
Energy: 0.8273561130241114
Energy: 0.9038533499607214
Energy: 1.0525736611365424
Energy: 0.8564564108123208
Energy: 1.0525736611359793
Energy: 0.8564564108055648
Energy: 1.0525736611348535
Energy: 0.8564564108100688
Energy: 0.888343184270577
Energy: 0.8918800544295463
Energy: 0.888343184273955
Energy: 0.8918800544312353
Energy: 0.8883431842728291
Energy: 0.8918800544306723
Energy: 0.9287830422777381
Energy: 0.8660305916002428
Energy: 0.928900718722852
Energy: 0.8660305916013687
Energy: 0.9287830422788641
Energy: 0.8660305916013687
Energy: 0.7698690050802806
Energy: 0.888609120727244
Energy: 0.7698690050808434
Energy: 0.8886091207317478
Energy: 0.7698690050808434
Energy: 0.8886091207323108
Energy: 0.8645485908785318
Energy: 1.0128519326756957
Energy: 0.8645485908774059
Energy: 1.0128519326768217
Energy: 0.8645485908802208
Energy: 1.0128519326762586
Energy: 0.8639553527989146
Energy: 0.9097263513442736
Energy: 0.8639553527977886
Energy: 0.9097263513386438
Energy: 0.8639553527989146
Energy: 0.9097263513386438
Energy: 0.8465637831832743
Energy: 0.8731331674467202
Energy: 0.8465637831827112
Energy: 0.8731331674427791
Energy: 0.8465637831872153
Energy: 0.8731331674472833
Energy: 0.8520762775828382
Energy: 0.8637781230174785
Energy: 0.8520762775834012
Energy: 0.8637781230174785
Energy: 0.8520762775805861
Energy: 0.8637781230180416
Energy: 0.8336619096033678
Energy: 0.9758875201367886
Energy: 0.8334357480059704
Energy: 0.9758875201367886
Energy: 0.8336619096011159
Energy: 0.9758875201367886
Energy: 0.8639113650984155
Energy: 0.9878808118602477
Energy: 0.8639113650989784
Energy: 0.9878808118608108
Energy: 0.8639113651001046
Energy: 0.9878808118602477
Energy: 0.8272208753404865
Energy: 0.9880186709112633
Energy: 0.8272208753399233
Energy: 0.9880186709084483
Energy: 0.8272208753421754
Energy: 0.9880186709078853
Energy: 0.9367429786156272
Energy: 0.863983625684187
Energy: 0.9366809164816152
Energy: 0.8639836256757418
Energy: 0.9367429786145014
Energy: 0.8639836256757418
Energy: 0.9310157784766431
Energy: 0.9834837833152463
Energy: 0.9307261432941881
Energy: 0.9834837833146833
Energy: 0.931015778481147
Energy: 0.9834837833090535
Energy: 0.8947929923631895
Energy: 0.9524141392037221
Energy: 0.8947929923637525
Energy: 0.9524141392059742
Energy: 0.8947929923581225
Energy: 0.9524141392037221
Energy: 0.9610158310639932
Energy: 0.9781680166148538
Energy: 0.8643151091152999
Energy: 0.9781680166176688
Energy: 0.9610158310651191
Energy: 0.9781680166165427
Energy: 0.8537723644115244
Energy: 0.9035079015566699
Energy: 0.8537723644115244
Energy: 0.9035079015611739
Energy: 0.8537723644120876
Energy: 0.9035079015577959
Energy: 0.9621191754276291
Energy: 0.98218248057619
Energy: 0.9621191754236882
Energy: 0.9623637397089225
Energy: 0.9621191754219993
Energy: 0.982182480571123
Energy: 0.8722655047737886
Energy: 0.8724040438496602
Energy: 0.8722655047720997
Energy: 0.8724040438507861
Energy: 0.8722655047749147
Energy: 0.8724040438513491
Energy: 0.8274375461860076
Energy: 1.026297094151116
Energy: 0.827420781991068
Energy: 1.0262970941432341
Energy: 0.8274375461815036
Energy: 1.0262970941432341
Energy: 0.8287409529315197
Energy: 0.8592943951777173
Energy: 0.8287409529309567
Energy: 0.8592943951799694
Energy: 0.8287409529303935
Energy: 0.8592943951782805
Energy: 0.8866335528114976
Energy: 0.9460311811625699
Energy: 0.8866335528114976
Energy: 0.8861961648525092
Energy: 0.8866335528143124
Energy: 0.9460311811608809
Energy: 0.9307174853975715
Energy: 0.87215475436654
Energy: 0.9308279429484368
Energy: 0.8721547543648511
Energy: 0.9307174854009496
Energy: 0.8721547543654141
Energy: 0.7724780110812098
Energy: 0.9520707543656755
Energy: 0.772478011080084
Energy: 0.9520707543690533
Energy: 0.772478011080647
Energy: 0.9520707543679274
Energy: 0.8725373184665955
Energy: 0.9813574047138703
Energy: 0.8725373184632176
Energy: 0.9813574047116183
Energy: 0.8725373184615285
Energy: 0.9813574047178113
Energy: 1.0536970084455461
Energy: 0.7760458362442881
Energy: 1.0536970084466721
Energy: 0.7760458362454141
Energy: 1.0536970084483612
Energy: 0.776045836247103
Energy: 0.8450257635802784
Energy: 0.8286001005857949
Energy: 0.8450257635780263
Energy: 0.8286001005880469
Energy: 0.8450257635763373
Energy: 0.8286001005942397
Energy: 0.856245281429096
Energy: 0.8652971868322824
Energy: 0.8562452814296589
Energy: 0.8652971868317195
Energy: 0.85624528142797
Energy: 0.8652971868317195
Energy: 0.8288670524129809
Energy: 0.9409559136658744
Energy: 0.828870513294081
Energy: 0.9409559136658744
Energy: 0.8288670524157958
Energy: 0.9409559136664374

minimum gb energy = 0.7698690050802806 eV
minimum distance =  2.25081646210542 Angstroms
sigma value = 33


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

Energy: 0.9372311097971319
Energy: 0.8671308060592248
Energy: 0.8874276594010918
Energy: 0.8671308060651156
Energy: 0.9372311097931806
Energy: 0.8671308060635352
Energy: 1.0004992521723792
Energy: 0.8676633796978163
Energy: 1.0004992521695777
Energy: 0.8676633796962357
Energy: 1.0004992521711582
Energy: 0.867663379697026
Energy: 0.9237583588496936
Energy: 0.9884351635984945
Energy: 0.9237583588492625
Energy: 0.9884351636008653
Energy: 0.9237583588540039
Energy: 0.9884351636020864
Energy: 0.9426063728457766
Energy: 0.8666624501560156
Energy: 0.9426063728426157
Energy: 0.8666624501560156
Energy: 0.9426063728544692
Energy: 0.8666624501560156
Energy: 0.8673129137104234
Energy: 1.048235325249553
Energy: 0.8673035190482192
Energy: 1.0482353252476133
Energy: 0.8673129137005815
Energy: 1.0482353252479726
Energy: 1.1384386627811547
Energy: 0.8350555178946382
Energy: 1.1384386627791432
Energy: 0.8350555178894659
Energy: 1.1384386627823042
Energy: 0.8350555178878855
Energy: 0.9229329357904481
Energy: 0.9985613533963984
Energy: 0.9229329357785948
Energy: 0.9985613533872748
Energy: 0.9229329357750028
Energy: 0.9985613533856943
Energy: 0.8974487339937058
Energy: 0.9392323990080063
Energy: 0.8974487339929156
Energy: 0.9392323990087965
Energy: 0.8974487339905449
Energy: 0.9392323990111672
Energy: 1.0532763591154677
Energy: 0.9018344560540462
Energy: 1.0537055817619556
Energy: 0.901834456046144
Energy: 1.0532763591138872
Energy: 0.9018344560472935
Energy: 1.2618913594730408
Energy: 0.8886190892971306
Energy: 1.2618913594722505
Energy: 0.8886190892959811
Energy: 1.261891359466719
Energy: 0.8886190892967715
Energy: 0.9562876480616761
Energy: 0.9038429539397377
Energy: 0.9562876480668486
Energy: 0.9038429539428986
Energy: 0.9562876480581561
Energy: 0.9038429539421083
Energy: 1.0581517492220156
Energy: 0.8665915108797014
Energy: 1.058151748610237
Energy: 0.8665915108725892
Energy: 1.0581517492717278
Energy: 0.8665915108710088
Energy: 0.8423841552119262
Energy: 1.0548877911619394
Energy: 0.842384155204024
Energy: 1.054887791148075
Energy: 0.8423841551981334
Energy: 1.0548877911461352
Energy: 0.9331797531680301
Energy: 0.9471701350875998
Energy: 0.9331797531704008
Energy: 0.9471701351041947
Energy: 0.9331797531688204
Energy: 0.9471701351034044
Energy: 0.9259745319939751
Energy: 0.8707274010775619
Energy: 0.9259745319979262
Energy: 0.8707274010807228
Energy: 0.925974531993616
Energy: 0.8707274010815129
Energy: 0.8909884249657644
Energy: 0.9911948855247044
Energy: 0.8909884249614539
Energy: 0.9911948855191727
Energy: 0.8909884249622442
Energy: 0.9911948855196038
Energy: 0.9588484750362921
Energy: 0.8655333466593405
Energy: 0.9588484750299703
Energy: 0.8655333466691824
Energy: 0.9588484750437634
Energy: 0.8655333466699725
Energy: 0.87003109198336
Energy: 0.9439815593307271
Energy: 0.8700317252987535
Energy: 0.9439815593303679
Energy: 0.870031091989682
Energy: 0.9439815593287875
Energy: 0.9878686027837913
Energy: 0.9397614943516746
Energy: 0.9878686027822109
Energy: 0.9397614943480825
Energy: 0.9878686027809896
Energy: 0.9397614943504533
Energy: 1.0580044612002673
Energy: 0.8458572252613835
Energy: 1.058004461192796
Energy: 0.8458572252712973
Energy: 1.0580044612010575
Energy: 0.8458572252689266
Energy: 0.8662372283057728
Energy: 0.8854108395343041
Energy: 0.8662372283093648
Energy: 0.885410839533514
Energy: 0.8662372283125257
Energy: 0.8854108395330827
Energy: 0.871643390867638
Energy: 1.011960739964142
Energy: 0.8714725948572163
Energy: 1.011960739964142
Energy: 0.8716433908616754
Energy: 1.0119607399637112
Energy: 0.9263765242482959
Energy: 0.8662420541068993
Energy: 0.9263765242467153
Energy: 0.8662420540958361
Energy: 0.9263765242514568
Energy: 0.8662420540966264
Energy: 0.8651699890738862
Energy: 1.0410706698870955
Energy: 0.8651699890758258
Energy: 1.04107066989859
Energy: 0.8651699890746765
Energy: 1.041070669892268
Energy: 1.015996601514968
Energy: 0.8654340553235549
Energy: 1.0159966015110167
Energy: 0.8654340553223336
Energy: 1.0159966015130282
Energy: 0.8654340553227646
Energy: 0.8383725483249882
Energy: 0.9280443001487796
Energy: 0.8383725483257785
Energy: 0.9280443001475582
Energy: 0.8383725483190976
Energy: 0.9280443001479893
Energy: 0.9499160656375056
Energy: 0.9213571255816457
Energy: 0.9499160656335546
Energy: 0.9213571255883987
Energy: 0.949916065635135
Energy: 0.9213571255876084
Energy: 0.9345670793872021
Energy: 0.8663845252637586
Energy: 0.8826652864901975
Energy: 0.8663845252577961
Energy: 0.9345670793892135
Energy: 0.8663845252593766
Energy: 0.904761255505916
Energy: 1.0306006850065426
Energy: 0.9047612555071373
Energy: 1.0306006850093445
Energy: 0.9047612554976546
Energy: 1.0306006850128644
Energy: 0.8912479075019094
Energy: 1.1957620580185555
Energy: 0.8912479075026997
Energy: 1.1957620580280381
Energy: 0.891247907503921
Energy: 1.1957620580248773
Energy: 0.8830539865413392
Energy: 0.8753591339582638
Energy: 0.8830539865409801
Energy: 0.8753591339543125
Energy: 0.8830539865441409
Energy: 0.8753591339566832
Energy: 0.8651360255179957
Energy: 1.0253316033933912
Energy: 0.8651050707933926
Energy: 1.0253316033179607
Energy: 0.8651360255168464
Energy: 1.0253316033483484
Energy: 1.057354642714575
Energy: 0.8377204371429906
Energy: 1.057354642714575
Energy: 0.8377204371414102
Energy: 1.057354642718526
Energy: 0.8377204371394706
Energy: 0.9478925492487075
Energy: 0.928321501698832
Energy: 0.9478925492534488
Energy: 0.9283215016952402
Energy: 0.9478925492518683
Energy: 0.9283215016952402
Energy: 0.8963463268012196
Energy: 0.9281631558868584
Energy: 0.8963463268007885
Energy: 0.9281631558805367
Energy: 0.8963463267980588
Energy: 0.928163155878956
Energy: 1.058543149436402
Energy: 0.8942685900051376
Energy: 1.0585409534615609
Energy: 0.8942685899960143
Energy: 1.0585431494403532
Energy: 0.8942685899940745
Energy: 0.8646604310916162
Energy: 0.9586732887183499
Energy: 0.8646604310860846
Energy: 0.9586732887262522
Energy: 0.864660431087665
Energy: 0.9586732887281918
Energy: 0.9388747558677057
Energy: 0.8754643185693392
Energy: 0.9388747558720878
Energy: 0.8754643185673995
Energy: 0.9388747558649758
Energy: 0.8754643185669685
Energy: 0.9481282038160481
Energy: 1.261842978845245
Energy: 0.9481274107246689
Energy: 1.2618429788397134
Energy: 0.9481282038164075
Energy: 1.2618429788397134
Energy: 0.8477409238281913
Energy: 1.0557248910470562
Energy: 0.84774092382697
Energy: 1.0557248910438954
Energy: 0.8477409238274011
Energy: 1.0557248910446857
Energy: 0.8827649374704424
Energy: 0.8649748412801258
Energy: 0.8827649374700113
Energy: 0.864974841277755
Energy: 0.8827649374751838
Energy: 0.864974841277755
Energy: 1.0068607476961642
Energy: 0.8674953583549647
Energy: 1.006860747694153
Energy: 0.8674953583593467
Energy: 1.0068607476917824
Energy: 0.8674953583589158
Energy: 0.8930978488024628
Energy: 0.9285335872084568
Energy: 0.8930978487961411
Energy: 0.9285335872014165
Energy: 0.8930978488005233
Energy: 0.9285335872025661
Energy: 0.9582776619470517
Energy: 0.8659207764216662
Energy: 0.9582776619387902
Energy: 0.8659207764240369
Energy: 0.9582776619411608
Energy: 0.8659207764244681
Energy: 0.864754064885218
Energy: 1.0107232722406199
Energy: 0.8647537128401491
Energy: 1.0107232722315682
Energy: 0.8647540648896003
Energy: 1.0107232722327177
Energy: 0.9257957602085445
Energy: 0.8675696519055105
Energy: 0.9257957602117054
Energy: 0.8675696519015593
Energy: 0.9257957602093347
Energy: 0.8675696519007692
Energy: 0.8713912194416124
Energy: 0.9544815647750406
Energy: 0.871391219443983
Energy: 0.9544815647805722
Energy: 0.871391219443983
Energy: 0.9544815647821527

minimum gb energy = 0.8350555178878855 eV
minimum distance =  2.31247341855098 Angstroms
sigma value = 67


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

Energy: 1.215039210372153
Energy: 1.229978367647041
Energy: 0.8988535074898226
Energy: 1.2299783676496816
Energy: 1.215039210372153
Energy: 1.2299783676496816
Energy: 1.2664707244945448
Energy: 1.1609029056824047
Energy: 1.2664707244971853
Energy: 1.1609029056824047
Energy: 1.2664707244971853
Energy: 1.1609029056797642
Energy: 1.1490066868619189
Energy: 1.0731981958006498
Energy: 1.1492258716689276
Energy: 1.0731981958006498
Energy: 1.1490066868592783
Energy: 1.0731981958006498
Energy: 0.8846632858445604
Energy: 1.1608513277611712
Energy: 0.8846632858419197
Energy: 1.1608513277585304
Energy: 0.8846632858392791
Energy: 1.1608513277611712
Energy: 1.2150392103747936
Energy: 1.2299783676496816
Energy: 0.8988535074924632
Energy: 1.2299783676496816
Energy: 1.215039210372153
Energy: 1.229978367647041
Energy: 1.2664707244945448
Energy: 1.1609029056797642
Energy: 1.2664707244945448
Energy: 1.1609029056797642
Energy: 1.2664707244945448
Energy: 1.1609029056797642
Energy: 1.2961793789923588
Energy: 1.0731981958006498
Energy: 1.2961793789949994
Energy: 1.0731981958032906
Energy: 1.2961793789949994
Energy: 1.0731981958032906

minimum gb energy = 0.8846632858392791 eV
minimum distance =  2.33842612105826 Angstroms
sigma value = 3


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

Energy: 1.258936976101328
Energy: 1.0486805088284956
Energy: 1.2191903860444877
Energy: 1.0486805088177151
Energy: 1.2589369761049216
Energy: 1.0486805088177151
Energy: 1.0936805165621066
Energy: 1.029294705006256
Energy: 1.0936805165621066
Energy: 1.0292947050098493
Energy: 1.0936805165728871
Energy: 1.0292947050098493
Energy: 1.1074000773247077
Energy: 1.1047260130054755
Energy: 1.1107619968893805
Energy: 1.104726013019784
Energy: 1.107400077342675
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Energy: 1.0478240262401748
Energy: 1.0330722986724714
Energy: 1.0478240262365814
Energy: 1.0330722986688778
Energy: 1.0478240262329879
Energy: 1.0330722986688778
Energy: 1.1313737010643694
Energy: 1.0892903744157756
Energy: 1.131373701067963
Energy: 1.0892903744085884
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Energy: 1.089290374404995
Energy: 1.041479677308374
Energy: 1.0918327245280435
Energy: 1.0414796773119677
Energy: 1.091832724531637
Energy: 1.0414796773047807
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Energy: 1.106584465640849
Energy: 1.104764392578788
Energy: 1.1065844656444426
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Energy: 0.9901273215394102
Energy: 1.0523898558957732
Energy: 0.9901273215322232
Energy: 1.0523898558742122
Energy: 0.9901273215358167
Energy: 1.0523898558778055
Energy: 1.0954959842206697
Energy: 1.0623611418263728
Energy: 1.0954959842278569
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Energy: 1.0954959842206697
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Energy: 1.0996956778104807
Energy: 1.0302422156528614
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Energy: 1.0302412276342532
Energy: 1.0996956778140743
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Energy: 1.0216734339261715
Energy: 1.10241416926977
Energy: 1.0216734339333589
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Energy: 1.0427608209400705
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Energy: 1.1281717210858972
Energy: 1.0386705407879464
Energy: 1.1281717210930842
Energy: 1.0386705407951333
Energy: 1.1281717210894908
Energy: 1.0386705407951333
Energy: 1.0707995366279137
Energy: 1.0170205169885314
Energy: 1.0707995366279137
Energy: 1.017020516992125
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Energy: 1.017020516992125
Energy: 1.1440427909639752
Energy: 1.0159463393841521
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Energy: 1.0159463393877455
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Energy: 1.0670734063877079
Energy: 1.027184228914329
Energy: 1.067073406420049
Energy: 1.027184228907142
Energy: 1.0670734064020817
Energy: 1.0750112634457836
Energy: 1.1064343551093025
Energy: 1.0750112634457836
Energy: 1.1064343551093025
Energy: 1.0750112634314097
Energy: 1.106434355112896
Energy: 1.0303754235827163
Energy: 1.071541389743367
Energy: 1.0303754235755294
Energy: 1.071541389743367
Energy: 1.0303754235863096
Energy: 1.071541389743367
Energy: 1.1146164403193028
Energy: 1.0932395262654881
Energy: 1.115016160184916
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Energy: 1.1146164403157095
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Energy: 1.022570550163798
Energy: 1.1105401493839209
Energy: 1.0225547506480928
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Energy: 1.0466996855089405
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Energy: 1.0466996855017536
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Energy: 1.0402454776159873
Energy: 1.0330993918894937
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Energy: 1.0513436876416913
Energy: 1.0932874119059444
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Energy: 1.093287411902351
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Energy: 1.0394294577652696
Energy: 1.105059562979725
Energy: 1.0401928713374602
Energy: 1.1050595629725382
Energy: 1.0394294577796437
Energy: 1.1050595629689446
Energy: 1.0819316392483709
Energy: 1.097053914378266
Energy: 1.0819316392447773
Energy: 1.097053914378266
Energy: 1.0819316392447773
Energy: 1.097053914378266
Energy: 1.057197283238714
Energy: 1.0136653128047601
Energy: 1.057197283238714
Energy: 1.0136653127939799
Energy: 1.057197283245901
Energy: 1.0136653127939799
Energy: 1.033668820402529
Energy: 1.0157873591927855
Energy: 1.0336688204204965
Energy: 1.0157873591927855
Energy: 1.0336688204204965
Energy: 1.0157873591927855
Energy: 1.1347369941138508
Energy: 1.0392992047103982
Energy: 1.0849335747194964
Energy: 1.0392992047032112
Energy: 1.1347369941066638
Energy: 1.0392992047032112
Energy: 1.1346003030542795
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Energy: 1.0832470964015712
Energy: 0.9965462508249188
Energy: 1.1346003030578728
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Energy: 1.096335674896435
Energy: 1.0156570953083137
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Energy: 1.096198413794621
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Energy: 1.0284783451972197
Energy: 1.0961984137982144
Energy: 1.0712117394557714
Energy: 1.0994780104742854
Energy: 1.071211739437804
Energy: 1.0994780104850659
Energy: 1.071211739452178
Energy: 1.0994780104850659
Energy: 1.0885411488059553
Energy: 1.0709970971528617
Energy: 1.088541148802427
Energy: 1.0709970971456746
Energy: 1.0885411488059553
Energy: 1.0709970971456746
Energy: 1.1279857606400163
Energy: 1.0931252288372266
Energy: 1.1075809381009498
Energy: 1.09312522884082
Energy: 1.1279857606293011
Energy: 1.09312522884082
Energy: 1.0163649257363432
Energy: 1.1181076719249063
Energy: 1.016367978314442
Energy: 1.1181076719320933
Energy: 1.0163649257363432
Energy: 1.1181076719285
Energy: 1.0929946121889398
Energy: 1.0265049495711616
Energy: 1.0929946121817529
Energy: 1.0265049495783487
Energy: 1.0929946121781593
Energy: 1.0265049495783487
Energy: 1.0186385464351093
Energy: 1.1077355586636157
Energy: 1.0186385464387029
Energy: 1.1077355586528352
Energy: 1.0186385464387029
Energy: 1.1077355586528352
Energy: 1.1174841612780655
Energy: 1.0936458524211206
Energy: 1.1174841612744721
Energy: 1.0936458524175268
Energy: 1.1174841612708786
Energy: 1.0936458524175268
Energy: 1.0311575738519734
Energy: 1.1066388029733438
Energy: 1.0311586841781872
Energy: 1.1066388031241399
Energy: 1.0311575738519734
Energy: 1.1066388028296044
Energy: 1.1780573461237556
Energy: 1.0183072748317794
Energy: 1.1780573461237556
Energy: 1.0183072748353732
Energy: 1.178057346127349
Energy: 1.0183072748353732
Energy: 1.0411267407986442
Energy: 1.0881468655693034
Energy: 1.041126740802172
Energy: 1.0881468655764905
Energy: 1.0411267408093592
Energy: 1.088146865572897
Energy: 1.0772935066722145
Energy: 1.0155669338651543
Energy: 1.0772935066794016
Energy: 1.0155669338579671
Energy: 1.0772935066686211
Energy: 1.0155669338543738
Energy: 1.0724298140441708
Energy: 1.0733620613747477
Energy: 1.0724298140333903
Energy: 1.0733620613783412
Energy: 1.0724298140405772
Energy: 1.0733620613783412
Energy: 1.1593146219249553
Energy: 1.0150507432639209
Energy: 1.1593146219249553
Energy: 1.0150507432639209
Energy: 1.1593146219249553
Energy: 1.0150507432639209
Energy: 1.0953841821029222
Energy: 1.0426023880778736
Energy: 1.0953826052112732
Energy: 1.0426023880994346
Energy: 1.0953841821101091
Energy: 1.0426023880994346
Energy: 1.0580124098988861
Energy: 1.0406950687593126
Energy: 1.0580124098988861
Energy: 1.040695068770093
Energy: 1.058012409891699
Energy: 1.0406950687664995
Energy: 1.0309038432965656
Energy: 1.107632335350243
Energy: 1.0309038433037525
Energy: 1.1076323353394626
Energy: 1.030903843292972
Energy: 1.1076323353394626
Energy: 1.1004756867581575
Energy: 1.10036678113596
Energy: 1.100475686754564
Energy: 1.1003667811467406
Energy: 1.100475686754564
Energy: 1.1003667811467406
Energy: 1.0666332289570903
Energy: 1.105929527382354
Energy: 1.0666339561000804
Energy: 1.1059295273787606
Energy: 1.066633228953497
Energy: 1.1059295273787606

minimum gb energy = 0.9901273215322232 eV
minimum distance =  2.27734546176955 Angstroms
sigma value = 81


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

Energy: 1.1398713658790647
Energy: 1.0381881110432527
Energy: 1.0841408375693142
Energy: 1.0381881110437459
Energy: 1.1398713658780784
Energy: 1.03818811105213
Energy: 1.0183517193464668
Energy: 0.9898461974548299
Energy: 1.0183517193454805
Energy: 0.9898461974543368
Energy: 1.0183517193464668
Energy: 0.9898461974518707
Energy: 1.129662098475265
Energy: 1.1005650204873099
Energy: 1.1302826851008319
Energy: 1.1005650204887896
Energy: 1.1296620984639214
Energy: 1.1005650204951565
Energy: 1.0053175573831437
Energy: 1.0955315062862232
Energy: 1.0053175573851165
Energy: 1.0955315062852369
Energy: 1.005317557386103
Energy: 1.0955315062817843
Energy: 1.0657649109310712
Energy: 1.034269882091577
Energy: 1.0657649109364964
Energy: 1.0342698820896041
Energy: 1.0657649109315646
Energy: 1.0342698820910838
Energy: 0.9936485431710684
Energy: 0.9487702320973936
Energy: 0.9936485431690957
Energy: 0.9487702320964073
Energy: 0.9936485431705753
Energy: 0.9487702320973936
Energy: 0.9370992993490626
Energy: 0.9522144384155558
Energy: 0.9370992993461031
Energy: 0.9522144384150624
Energy: 0.9370992993495556
Energy: 0.952214438409637
Energy: 0.9899591683322795
Energy: 0.9939290210367513
Energy: 0.9899583885108831
Energy: 0.9939290210362581
Energy: 0.9899591683322795
Energy: 0.9939290210323126
Energy: 1.1793581265230906
Energy: 1.0731901992376094
Energy: 1.1793581265181585
Energy: 1.0731901992405686
Energy: 1.1793581265225972
Energy: 1.0731901992415551
Energy: 1.1194927404123507
Energy: 1.2242630643994734
Energy: 1.1194927404088983
Energy: 1.2242630644048538
Energy: 1.1194927404118575
Energy: 1.2242630644004597
Energy: 1.016846202704116
Energy: 1.0010367289742812
Energy: 1.016846202706089
Energy: 1.001036728973788
Energy: 1.016846202706089
Energy: 1.0010367289777335
Energy: 0.9489379362338859
Energy: 0.9899524273081793
Energy: 0.9489379362294469
Energy: 0.9899524273091658
Energy: 0.9489379362343789
Energy: 0.9899524273091658
Energy: 1.0191473516546457
Energy: 0.992090191539374
Energy: 1.0191473516521794
Energy: 0.9920901915383875
Energy: 1.019147351655632
Energy: 0.992090191531976
Energy: 1.0799567727546149
Energy: 0.9498504926421625
Energy: 1.0799567727491897
Energy: 0.9498504926431488
Energy: 1.0799567727541217
Energy: 0.9498504926372304
Energy: 1.0983002262236932
Energy: 0.987514410782722
Energy: 1.0983002262271455
Energy: 0.9875144107817356
Energy: 1.0983002262246797
Energy: 0.9875144107787763
Energy: 0.9897368444987377
Energy: 0.9543192161129261
Energy: 0.9897368445012037
Energy: 0.9543192161129261
Energy: 0.9897368444987377
Energy: 0.9543192161153922
Energy: 1.0676635216558383
Energy: 0.94968593075334
Energy: 1.067663521654852
Energy: 0.94968593075334
Energy: 1.0676635216558383
Energy: 0.949685930750874
Energy: 1.014497888416014
Energy: 1.0763752244989022
Energy: 1.0144980453896264
Energy: 1.0763752244998888
Energy: 1.014497888416014
Energy: 1.0763752245013685
Energy: 1.098305045664402
Energy: 1.0008208664089169
Energy: 1.0983050456634156
Energy: 1.0008208664005327
Energy: 1.0983050456653882
Energy: 1.0008208664010259
Energy: 1.0933207183957772
Energy: 1.1337515517248022
Energy: 1.0933207183918316
Energy: 1.1337515517277614
Energy: 1.0933207183962705
Energy: 1.1337515517282546
Energy: 0.9955397091792596
Energy: 0.9925655776144587
Energy: 0.9955397091787664
Energy: 0.9925655776178665
Energy: 0.9955397091802459
Energy: 0.9925655776134724
Energy: 1.0170821541788841
Energy: 1.0013183803366676
Energy: 0.9486574787821378
Energy: 1.0013183803366676
Energy: 1.0170821541783908
Energy: 1.0013183803322288
Energy: 1.0173490481866099
Energy: 0.9373876642714741
Energy: 0.9488149830533394
Energy: 0.9373876642719673
Energy: 1.0173490481866099
Energy: 0.9373876642773926
Energy: 1.0608006903153222
Energy: 1.0796245658083257
Energy: 1.060800690317788
Energy: 1.0796245658083257
Energy: 1.0608006903172948
Energy: 1.0796245658157237
Energy: 1.072197411959299
Energy: 1.15234746313216
Energy: 1.0721974119553532
Energy: 1.1523474631331465
Energy: 1.0721974119602853
Energy: 1.1523474631336397
Energy: 1.0979494553299656
Energy: 1.2801098865186749
Energy: 1.0979494553324314
Energy: 1.2801098865186749
Energy: 1.0979494553294722
Energy: 1.2801098865181817
Energy: 1.014411916835313
Energy: 1.0134953470819714
Energy: 1.0144119168377788
Energy: 1.0134953470814785
Energy: 1.0144119168343266
Energy: 1.0134953470809849
Energy: 1.049825396993134
Energy: 0.9494901882070675
Energy: 1.0498253969926408
Energy: 0.9494901882065743
Energy: 1.0498253969941203
Energy: 0.9494901882050947
Energy: 0.9899149603322921
Energy: 1.0187871699190476
Energy: 0.9899025149939765
Energy: 1.0187871699195408
Energy: 0.9899149603332784
Energy: 1.0187871699185544
Energy: 1.0464065967365965
Energy: 0.9884044285519733
Energy: 1.0464065967375829
Energy: 0.9884044285524666
Energy: 1.0464065967370897
Energy: 0.988404428553453
Energy: 1.099780104771193
Energy: 1.0979002621962983
Energy: 1.0997801047702065
Energy: 1.0979002621962983
Energy: 1.0997801047706997
Energy: 1.0979002622061622
Energy: 0.9530683107636722
Energy: 1.0798065584635401
Energy: 0.9530683107690973
Energy: 1.079806558463047
Energy: 0.9530683107641653
Energy: 1.0798065584709382
Energy: 0.9490016892935025
Energy: 0.9930725965384037
Energy: 0.9490016892905433
Energy: 0.9930725965403765
Energy: 0.9490016892930093
Energy: 0.9930725965443221
Energy: 0.9487045787759465
Energy: 0.9346521407045096
Energy: 0.9487045787715076
Energy: 0.93465214070303
Energy: 0.9487045787759465
Energy: 0.9346521407109211
Energy: 1.1301039676844253
Energy: 1.2242166425029866
Energy: 1.1301751413300938
Energy: 1.2242166425039729
Energy: 1.130103967683932
Energy: 1.2242166425039729
Energy: 1.158380867485955
Energy: 1.0936862226206214
Energy: 1.158380867485955
Energy: 1.093686222619142
Energy: 1.158380867485955
Energy: 1.0936862226206214
Energy: 0.9901134606218793
Energy: 1.0211580939206295
Energy: 0.9901134606194133
Energy: 1.0211580939211224
Energy: 0.990113460620893
Energy: 1.0211580939166836
Energy: 1.0024693982529342
Energy: 0.9522466193198112
Energy: 1.0024693982499748
Energy: 0.9522466193198112
Energy: 1.0024693982509612
Energy: 0.952246619321784

minimum gb energy = 0.93465214070303 eV
minimum distance =  2.36172429559454 Angstroms
sigma value = 43


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

Energy: 1.3214881998784531
Energy: 1.0731194649061653
Energy: 1.2552128894985437
Energy: 1.0731194649025306
Energy: 1.3214881998748185
Energy: 1.0731194649025306
Energy: 1.116001507893964
Energy: 1.0268975200251507
Energy: 1.1160015078903294
Energy: 1.0268975200269679
Energy: 1.1160015078915408
Energy: 1.026897520026362
Energy: 1.0683200532739074
Energy: 1.1516325032271375
Energy: 1.0677246092153811
Energy: 1.1516325032295607
Energy: 1.068320053273302
Energy: 1.151632503228955
Energy: 0.960502452026214
Energy: 1.032592052995802
Energy: 0.960502452023185
Energy: 1.0325920529982253
Energy: 0.960502452023185
Energy: 1.0325920529976196
Energy: 1.157646242304041
Energy: 1.036367926749979
Energy: 1.157646242302829
Energy: 1.0363679267493733
Energy: 1.1576462423010119
Energy: 1.0363679267511907
Energy: 1.0539916946585717
Energy: 1.1064506389313586
Energy: 1.0539916946591776
Energy: 1.1064506389313586
Energy: 1.053991694657966
Energy: 1.1064506389313586
Energy: 1.0045531645034393
Energy: 1.1583950735649902
Energy: 1.0680082011948626
Energy: 1.1583950735595654
Energy: 1.004553164501622
Energy: 1.1583950735595654
Energy: 1.0584700371777536
Energy: 1.089014458422238
Energy: 1.0584686409988155
Energy: 1.0890144584216326
Energy: 1.0584700371807827
Energy: 1.0890144584216326
Energy: 1.1700058272482032
Energy: 0.9901450549515887
Energy: 1.1700058272475975
Energy: 0.990145054950377
Energy: 1.170005827245174
Energy: 0.990145054950377
Energy: 1.0037978239776115
Energy: 1.0334694626669085
Energy: 1.0037978239751884
Energy: 1.0334694626626677
Energy: 1.0037978239776115
Energy: 1.0334694626626677
Energy: 1.0031363317529114
Energy: 1.0174642049992164
Energy: 1.003136331749882
Energy: 1.0174642049961873
Energy: 1.0031363317492765
Energy: 1.0174642049992164
Energy: 1.0583365552054964
Energy: 1.129805530041562
Energy: 1.0583365552054964
Energy: 1.1298055300391388
Energy: 1.0583365552030732
Energy: 1.1298055300397445
Energy: 1.1527723563921046
Energy: 1.1038498061727218
Energy: 1.1529032766576737
Energy: 1.103849806175145
Energy: 1.1527723563860466
Energy: 1.103849806175145
Energy: 1.0127450591495928
Energy: 1.1391025570665727
Energy: 1.0127274934228094
Energy: 1.139102557062332
Energy: 1.0127450591508043
Energy: 1.1391025570617261
Energy: 1.0033053183718603
Energy: 1.064944467148682
Energy: 1.0033053183712546
Energy: 1.064944467146259
Energy: 1.0033053183706486
Energy: 1.0649444671480761
Energy: 1.044096746157084
Energy: 1.0739517257140243
Energy: 1.044096746157084
Energy: 1.0739517257158417
Energy: 1.044096746157084
Energy: 1.0739517257158417
Energy: 1.0482056736274359
Energy: 1.0257058901155383
Energy: 1.048205673630465
Energy: 1.0257058901155383
Energy: 1.0482056736310708
Energy: 1.0257058901149323
Energy: 1.143038637730278
Energy: 1.0776999899699433
Energy: 1.0996844283249898
Energy: 1.0776999899699433
Energy: 1.1430386377278547
Energy: 1.077699989970549
Energy: 1.1685185366480797
Energy: 1.0216036081592335
Energy: 1.0998078475542272
Energy: 1.0216036081598392
Energy: 1.1685185366462623
Energy: 1.0216036081592335
Energy: 1.0933936820051249
Energy: 1.0270663738538026
Energy: 1.0933936820051249
Energy: 1.027066373852591
Energy: 1.0933936820063364
Energy: 1.027066373852591
Energy: 1.0074593983551898
Energy: 1.0242469036916193
Energy: 1.0074593983557958
Energy: 1.0242469036891961
Energy: 1.0074593983564013
Energy: 1.0242469036898016
Energy: 1.0952203461475403
Energy: 1.1149582710335584
Energy: 1.0952203461432997
Energy: 1.1149582710359816
Energy: 1.0952203461426937
Energy: 1.1149582710353758
Energy: 1.0118884483448651
Energy: 1.0628894162045552
Energy: 1.0118884483454709
Energy: 1.0628894162051612
Energy: 1.0118884483478943
Energy: 1.0628894162039495
Energy: 1.1210410116185439
Energy: 1.1056915963856475
Energy: 1.121041011620361
Energy: 1.1056915963886766
Energy: 1.121041011624602
Energy: 1.105691596387465
Energy: 1.0589044275479025
Energy: 1.0622793442372458
Energy: 1.0588074159281833
Energy: 1.0622793442336107
Energy: 1.058904427546691
Energy: 1.0622793442336107
Energy: 1.0966441809061998
Energy: 1.0486198772465332
Energy: 1.096644180908017
Energy: 1.048619877247139
Energy: 1.096644180908017
Energy: 1.0486198772435043
Energy: 1.0605155667016293
Energy: 0.9625668420221282
Energy: 1.0605155667016293
Energy: 0.9625668420178874
Energy: 1.089358295396542
Energy: 0.9625668420178874
Energy: 1.0477199790120384
Energy: 0.9893222221787037
Energy: 1.0477199790120384
Energy: 0.9893222221744906
Energy: 1.047719979010221
Energy: 0.9893222221738849
Energy: 1.0580611255741526
Energy: 1.0775923696460512
Energy: 1.0580611255735468
Energy: 1.0775923696442335
Energy: 1.0580611255735468
Energy: 1.0775923696436278
Energy: 1.1166118144733026
Energy: 1.101230551809627
Energy: 1.1166118144739086
Energy: 1.1012305518053864
Energy: 1.116611814472091
Energy: 1.1012305518065981
Energy: 1.1266500907133323
Energy: 1.1042673784999835
Energy: 1.1284721738484118
Energy: 1.1042673785011954
Energy: 1.1679012135010138
Energy: 1.1042673785011954

minimum gb energy = 0.960502452023185 eV
minimum distance =  2.26941880584436 Angstroms
sigma value = 57


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

Energy: 1.0695464670255297
Energy: 0.9477548770958591
Energy: 1.0695464670270987
Energy: 0.9477548770950748
Energy: 1.0695464670231767
Energy: 0.9477548770958591
Energy: 0.9934444727907314
Energy: 0.8975688977419416
Energy: 0.9934444727923003
Energy: 0.8975688977419416
Energy: 0.9934444727907314
Energy: 0.897568897742726
Energy: 1.0464585606529555
Energy: 1.1046766893554107
Energy: 1.0464585606615837
Energy: 1.1046766893554107
Energy: 1.0464585606607995
Energy: 1.104676689354626
Energy: 0.978539276491643
Energy: 1.0234399446905738
Energy: 0.9785392764924276
Energy: 1.0234399446897895
Energy: 0.9785392764900743
Energy: 1.0234399446897895
Energy: 1.0426983102924314
Energy: 1.0216290457756145
Energy: 1.0426983102963179
Energy: 1.0216290457787522
Energy: 1.0426983102931804
Energy: 1.0216290457795367
Energy: 1.1005962299543244
Energy: 0.9680606882211287
Energy: 1.1005962299558933
Energy: 0.96806068821956
Energy: 1.1005962299551089
Energy: 0.9680606882211287
Energy: 1.0330715338642233
Energy: 1.1016579890507852
Energy: 1.0330715338634389
Energy: 1.1016579890492162
Energy: 1.0330715338634389
Energy: 1.1016579890492162
Energy: 0.9780771785534378
Energy: 0.9980169439406114
Energy: 0.9780771785526534
Energy: 0.9980169439406114
Energy: 0.9780771785534378
Energy: 0.998016943939827
Energy: 1.0274594889655402
Energy: 0.8982686636629894
Energy: 1.0274594889671091
Energy: 0.8982686636645583
Energy: 1.0274594889647557
Energy: 0.8982686636637738
Energy: 0.9185163642149584
Energy: 0.9678753959278
Energy: 0.918516364216527
Energy: 0.9678753959270157
Energy: 0.9185163642149584
Energy: 0.9678753959270157
Energy: 1.032819923685733
Energy: 1.0227958974531075
Energy: 1.032819923685733
Energy: 1.0227958974538918
Energy: 1.0328199236865172
Energy: 1.0227958974531075
Energy: 1.0254017374387854
Energy: 1.1250355399051928
Energy: 1.0254017374387854
Energy: 1.1250355399044085
Energy: 1.0254017374387854
Energy: 1.1250355399044085
Energy: 1.0509344434212813
Energy: 0.8982927273253056
Energy: 1.0509344434236345
Energy: 0.8982927273237369
Energy: 1.0509344434236345
Energy: 0.8982927273253056
Energy: 1.1344632471134712
Energy: 0.9058713179717953
Energy: 1.1344632471119027
Energy: 0.9058713179702265
Energy: 1.1344632471134712
Energy: 0.905871317971011
Energy: 1.0152617255647263
Energy: 0.9049393879052348
Energy: 1.0152617255655105
Energy: 0.9049393879052348
Energy: 1.0152617255647263
Energy: 0.9049393879052348
Energy: 1.0301435324786132
Energy: 1.0776879008704088
Energy: 1.0301435324786132
Energy: 1.0776879008704088
Energy: 1.0301435324793973
Energy: 1.077687900871193
Energy: 0.9186967740979777
Energy: 0.993475358967102
Energy: 0.9186967740979777
Energy: 0.9934753589655331
Energy: 0.9186967740979777
Energy: 0.9934753589663177
Energy: 1.0303948935853027
Energy: 1.0508072460604325
Energy: 1.0303948935868712
Energy: 1.0508072460620013
Energy: 1.0303948935860872
Energy: 1.0508072460596478
Energy: 0.9186516869265292
Energy: 0.9932967061115342
Energy: 0.9186516869273136
Energy: 0.9932967061138875
Energy: 0.9186516869273136
Energy: 0.9932967061138875
Energy: 1.0300307447099009
Energy: 1.077684985294324
Energy: 1.0300307447114696
Energy: 1.0776849852951085
Energy: 1.0300307447091164
Energy: 1.077684985294324
Energy: 1.015112914373983
Energy: 0.904660446421124
Energy: 1.0151129143755515
Energy: 0.904660446421124
Energy: 1.015112914373983
Energy: 0.9046604464203396
Energy: 1.1344667371624173
Energy: 0.9668176085361698
Energy: 1.134466737163986
Energy: 0.9668176085369544
Energy: 1.1344667371632018
Energy: 0.9668176085361698
Energy: 1.0510551730684814
Energy: 0.8983363897284286
Energy: 1.0510551730692657
Energy: 0.8983363897284286
Energy: 1.0510551730684814
Energy: 0.8983363897284286
Energy: 1.0253656777593434
Energy: 1.1250801121811245
Energy: 1.025365677760912
Energy: 1.1250801121826932
Energy: 1.0253656777593434
Energy: 1.1250801121819087

minimum gb energy = 0.8975688977419416 eV
minimum distance =  2.28039308694815 Angstroms
sigma value = 17


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

Energy: 1.0282577611565613
Energy: 0.9009251131754328
Energy: 1.0282577611576706
Energy: 0.900925113176542
Energy: 1.0282577611554522
Energy: 0.900925113176542
Energy: 0.8720517918853685
Energy: 0.8511775200152566
Energy: 0.87205179188315
Energy: 0.8511775200141474
Energy: 0.8720517918853685
Energy: 0.8511775200152566
Energy: 0.9996200078466466
Energy: 1.0080316003507157
Energy: 0.9996200078455373
Energy: 1.0080316003518248
Energy: 0.9996200078455373
Energy: 1.008031600352934
Energy: 0.8193384178357169
Energy: 0.9838008618569584
Energy: 0.8193384178379355
Energy: 0.9838008618569584
Energy: 0.8193384178379355
Energy: 0.9838008618591769
Energy: 1.0108973147558897
Energy: 0.9430530493094089
Energy: 1.0108973147592175
Energy: 0.9430530493094089
Energy: 1.010897314756999
Energy: 0.9430530493094089
Energy: 0.9190181546318787
Energy: 0.9851043221664498
Energy: 0.9190181546329882
Energy: 0.9851043221664498
Energy: 0.9190181546329882
Energy: 0.9851043221664498
Energy: 0.8193654380595736
Energy: 0.8792951099268801
Energy: 0.8193654380573551
Energy: 0.8792951099268801
Energy: 0.8193654380584644
Energy: 0.8792951099279893
Energy: 0.8191966728814286
Energy: 0.9821633553500699
Energy: 0.8191966728803193
Energy: 0.9821633553500699
Energy: 0.8191966728803193
Energy: 0.9821633553500699
Energy: 0.9603059247191574
Energy: 0.8506636285474803
Energy: 0.9603059247191574
Energy: 0.8506636285474803
Energy: 0.9603059247191574
Energy: 0.8506636285474803
Energy: 0.926620937538215
Energy: 0.8741900800573048
Energy: 0.9266209375371056
Energy: 0.8741900800573048
Energy: 0.9266209375371056
Energy: 0.8741900800584141
Energy: 0.9085220828309118
Energy: 0.9953622442177238
Energy: 0.9085220828320211
Energy: 0.9953622442177238
Energy: 0.9085220828320211
Energy: 0.9953622442177238
Energy: 0.9609988829939228
Energy: 0.8508954841493267
Energy: 0.960998882995032
Energy: 0.8508954841471081
Energy: 0.9609988829961413
Energy: 0.8508954841482174
Energy: 0.8191668898196068
Energy: 0.9884126766700524
Energy: 0.8191668898207161
Energy: 0.9884126766689432
Energy: 0.8191668898218253
Energy: 0.9884126766689432
Energy: 0.9266309075080578
Energy: 0.9859393313424716
Energy: 0.9266309075058393
Energy: 0.9859393313424716
Energy: 0.9266309075080578
Energy: 0.9859393313424716
Energy: 0.9183355128450938
Energy: 0.9682724909291469
Energy: 0.9183355128462032
Energy: 0.9682724909280377
Energy: 0.9183355128462032
Energy: 0.9682724909280377
Energy: 0.9179905954028473
Energy: 0.9851960445213974
Energy: 0.9179905954028473
Energy: 0.9851960445225068
Energy: 0.9179905954028473
Energy: 0.9851960445213974
Energy: 0.9244959279562066
Energy: 0.9853721732521832
Energy: 0.9244959279562066
Energy: 0.985372173251074
Energy: 0.9244959279573159
Energy: 0.985372173251074

minimum gb energy = 0.8191668898196068 eV
minimum distance =  2.29701546096298 Angstroms
sigma value = 17


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

Energy: 0.9404339068914649
Energy: 0.8353173729930731
Energy: 0.9404339068914649
Energy: 0.8353173729943582
Energy: 0.9404339068923216
Energy: 0.8353173729935015
Energy: 0.8447240150225572
Energy: 0.7981868839844786
Energy: 0.8447240150255559
Energy: 0.7981868839831935
Energy: 0.8447240150238423
Energy: 0.7981868839849069
Energy: 0.9269153940214818
Energy: 0.8914096389616124
Energy: 0.926915394022767
Energy: 0.8914096389620406
Energy: 0.9269153940236237
Energy: 0.8914096389616124
Energy: 0.7709327401330929
Energy: 0.8681519924055124
Energy: 0.7709327401305226
Energy: 0.868151992405084
Energy: 0.7709327401309511
Energy: 0.8681519924063692
Energy: 0.9675011455335127
Energy: 0.7994945732813445
Energy: 0.9675011455339412
Energy: 0.7994945732804879
Energy: 0.9675011455317992
Energy: 0.7994945732796311
Energy: 0.8879979917150695
Energy: 0.8140700643038948
Energy: 0.8879979917120709
Energy: 0.8140700643030382
Energy: 0.8879979917154979
Energy: 0.8140700643047518
Energy: 0.849192287536633
Energy: 0.8339677547021482
Energy: 0.8491922875400599
Energy: 0.8339677547004349
Energy: 0.8491922875396315
Energy: 0.8339677546995781
Energy: 0.8429499014174205
Energy: 0.8765026917035509
Energy: 0.8429499014182774
Energy: 0.8765026916949835
Energy: 0.8429499014152787
Energy: 0.876502691700124
Energy: 0.8725222437014735
Energy: 0.8832241387776081
Energy: 0.8725222437014735
Energy: 0.8832241387776081
Energy: 0.8725222437023302
Energy: 0.8832241387788933
Energy: 0.847469282016808
Energy: 0.7663165816911165
Energy: 0.8474692820159513
Energy: 0.7663165816898314
Energy: 0.847469282016808
Energy: 0.7663165816906883
Energy: 0.7714460471197748
Energy: 0.8997751053536365
Energy: 0.7714460471202031
Energy: 0.8997751053502095
Energy: 0.771446047118918
Energy: 0.8997751053514945
Energy: 0.921467302504424
Energy: 0.8088176486169937
Energy: 0.9214673025027106
Energy: 0.8088176486178504
Energy: 0.9214673025074227
Energy: 0.8088176486169937
Energy: 0.8508752418329057
Energy: 0.8174357905932055
Energy: 0.8508752418324773
Energy: 0.817435790592777
Energy: 0.8508752418350476
Energy: 0.8174357905923488
Energy: 0.834929864768456
Energy: 0.9292195411856106
Energy: 0.8349298647701694
Energy: 0.9292195411856106
Energy: 0.8349298647710263
Energy: 0.929219541186039
Energy: 0.8955883605652618
Energy: 0.8083114779684363
Energy: 0.8955883605639768
Energy: 0.8083114779680078
Energy: 0.8955883605631199
Energy: 0.808311477969293
Energy: 0.7697391511356667
Energy: 0.9461651285862829
Energy: 0.769739151136095
Energy: 0.9461651285837127
Energy: 0.7697391511343816
Energy: 0.9461651285862829
Energy: 0.8503366903469401
Energy: 0.869473804531568
Energy: 0.8503366903482252
Energy: 0.869473804531568
Energy: 0.850336690347797
Energy: 0.8694738045307112
Energy: 0.873485715205489
Energy: 1.0531042614232524
Energy: 0.8734857152063457
Energy: 1.0531042614236807
Energy: 0.873485715205489
Energy: 1.053104261422824
Energy: 0.841583950101452
Energy: 0.8761906055808578
Energy: 0.841583950102737
Energy: 0.8761906055800012
Energy: 0.8415839501040222
Energy: 0.8761906055804295
Energy: 0.8490444450395735
Energy: 0.8826422481307308
Energy: 0.849044445043429
Energy: 0.8710510168222656
Energy: 0.8490444450412871
Energy: 0.8710510168226941
Energy: 0.8416511101362308
Energy: 0.8724069612758081
Energy: 0.8416511101422282
Energy: 0.8724069612740947
Energy: 0.8416511101349458
Energy: 0.8724069612792351
Energy: 0.8734286086663333
Energy: 1.0531011744234804
Energy: 0.8734286086680467
Energy: 1.0531011744239087
Energy: 0.8734286086689037
Energy: 1.053101174425194
Energy: 0.8505598204426941
Energy: 0.8692719456572918
Energy: 0.8505598204392671
Energy: 0.8692719456581486
Energy: 0.8505598204362687
Energy: 0.8692719456572918
Energy: 0.7697306448069132
Energy: 0.9461369204585004
Energy: 0.7697306448094835
Energy: 0.9461369204597856
Energy: 0.7697306448069132
Energy: 0.9461369204580721
Energy: 0.8955257939234772
Energy: 0.8081887042999536
Energy: 0.8955257939273326
Energy: 0.8081887042999536
Energy: 0.8955257939281893
Energy: 0.8081887043012387
Energy: 0.8349128660482379
Energy: 0.9290854030159553
Energy: 0.8349128660478096
Energy: 0.9290854030180973
Energy: 0.8349128660473814
Energy: 0.9290854030172405
Energy: 0.850975190751088
Energy: 0.8174558255303553
Energy: 0.8509751907528016
Energy: 0.8174558255290701
Energy: 0.8509751907528016
Energy: 0.8174558255290701
Energy: 0.9214992204426417
Energy: 0.8088598563517272
Energy: 0.9214992204456404
Energy: 0.8088598563538693
Energy: 0.9214992204452119
Energy: 0.8088598563530123
Energy: 0.7712684214286396
Energy: 0.8998635947976944
Energy: 0.7712684214286396
Energy: 0.8998635947955527
Energy: 0.7712684214307816
Energy: 0.8998635948015499
Energy: 0.8475431609527819
Energy: 0.9222278258808917
Energy: 0.8475431609523536
Energy: 0.9222278258817485
Energy: 0.8475431609489266
Energy: 0.9222278258817485
Energy: 0.8725696386565812
Energy: 0.8827978455771269
Energy: 0.8725696386587232
Energy: 0.8827978455788403
Energy: 0.8725696386587232
Energy: 0.88279784557627
Energy: 0.8430523810231699
Energy: 0.8769175307547706
Energy: 0.8430523810214566
Energy: 0.8769175307479168
Energy: 0.8430523810227417
Energy: 0.8769175307419195
Energy: 0.8489211974283059
Energy: 0.8340965816853417
Energy: 0.8489211974283059
Energy: 0.8340965816798117
Energy: 0.8489211974270208
Energy: 0.8340965816806295
Energy: 0.8874291718639421
Energy: 0.8150341653351013
Energy: 0.8874291718635137
Energy: 0.815034165334673
Energy: 0.8874291718630853
Energy: 0.815034165332531
Energy: 0.9674963099465855
Energy: 0.7995410612550666
Energy: 0.9674963099491558
Energy: 0.7995410612546382
Energy: 0.9674963099453004
Energy: 0.7995410612524964
Energy: 0.7708146212469438
Energy: 0.868051737487376
Energy: 0.7708146212503707
Energy: 0.868051737488661
Energy: 0.770814621249514
Energy: 0.8680517374878043
Energy: 0.9268981374654318
Energy: 0.8913971563723745
Energy: 0.9268981374650034
Energy: 0.891397156371946
Energy: 0.9268981374641466
Energy: 0.891397156371946
Energy: 0.844557220105231
Energy: 0.7981631300117005
Energy: 0.844557220105231
Energy: 0.7981631300134139
Energy: 0.8445572201129418
Energy: 0.7981631300117005
Energy: 0.9404339068966053
Energy: 0.8353173729956432
Energy: 0.9404339068966053
Energy: 0.8353173729960718
Energy: 0.9404339068944636
Energy: 0.8353173729947866
Energy: 0.8447240150195586
Energy: 0.7981868839780529
Energy: 0.8447240150204154
Energy: 0.7981868839780529
Energy: 0.8447240150204154
Energy: 0.7981868839776246
Energy: 0.9269153940210535
Energy: 0.8914096389598988
Energy: 0.9269153940193399
Energy: 0.8914096389616124
Energy: 0.9269153940206251
Energy: 0.8914096389620406
Energy: 0.7709327401352348
Energy: 0.8802969731705341
Energy: 0.7709327401322361
Energy: 0.8802969731701058
Energy: 0.7709327401283809
Energy: 0.8802969731701058
Energy: 0.9675011455309425
Energy: 0.799494573277061
Energy: 0.967501145530514
Energy: 0.7994945732787744
Energy: 0.9675011455309425
Energy: 0.7994945732779175

minimum gb energy = 0.7663165816898314 eV
minimum distance =  2.31216389285357 Angstroms
sigma value = 57


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

Energy: 0.8782358612888157
Energy: 0.8275653428539181
Energy: 0.8804964286777117
Energy: 0.8275653428553129
Energy: 0.8782358612923032
Energy: 0.8275653428581029
Energy: 0.8465777694070559
Energy: 0.8016710571843083
Energy: 0.785845350638598
Energy: 0.8016710571703584
Energy: 0.8465777694119384
Energy: 0.8016710571724509
Energy: 0.9539551994943704
Energy: 0.8896367552388657
Energy: 0.8996814044280034
Energy: 0.8896367552346806
Energy: 0.9539551994908828
Energy: 0.8896367552353781
Energy: 0.781878371418056
Energy: 0.7626863711885403
Energy: 0.7818732273212449
Energy: 0.7626863711927253
Energy: 0.7818783714201486
Energy: 0.7626863711857503
Energy: 0.7822831740334216
Energy: 0.7602586089341046
Energy: 0.7822831740362116
Energy: 0.7602586089299196
Energy: 0.7822831740327242
Energy: 0.7602586089320121
Energy: 0.8677915622710574
Energy: 0.7616882204180188
Energy: 0.8676939436068196
Energy: 0.7616882204249937
Energy: 0.8677915622717548
Energy: 0.7616882204249937
Energy: 0.7687159174280553
Energy: 0.8913153252302327
Energy: 0.7686863174025205
Energy: 0.8913153252316277
Energy: 0.7687159174273578
Energy: 0.8913153252232578
Energy: 1.0815689033315348
Energy: 0.786397602945759
Energy: 1.0815689033315348
Energy: 0.7863976029520365
Energy: 1.0815689033350224
Energy: 0.7863976029527341
Energy: 0.7728175981842563
Energy: 0.7643770594117494
Energy: 0.772817598175189
Energy: 0.7643770594117494
Energy: 0.7728175981786763
Energy: 0.7643770594103544
Energy: 0.7825616009095405
Energy: 0.820347552675689
Energy: 0.782561600910238
Energy: 0.820347552685454
Energy: 0.7825616009157546
Energy: 0.820347552684059
Energy: 0.7685753472838087
Energy: 0.8251444041354565
Energy: 0.7685753472845062
Energy: 0.8251444041431288
Energy: 0.7685753472817162
Energy: 0.8251444041410364
Energy: 0.8436927116018265
Energy: 0.769624292087444
Energy: 0.8436927116011289
Energy: 0.7696242920867465
Energy: 0.8436927115984024
Energy: 0.7696242920867465
Energy: 0.7813792151662298
Energy: 0.9305361492123305
Energy: 0.7813792151648348
Energy: 0.9305361492151206
Energy: 0.7813792151627422
Energy: 0.9305361492179106
Energy: 0.7794310899727941
Energy: 0.829133989099872
Energy: 0.7794310899707015
Energy: 0.8291339891005695
Energy: 0.7794310899748866
Energy: 0.829133989099872
Energy: 0.9100433057781073
Energy: 0.8175151970681955
Energy: 0.9100433057760149
Energy: 0.8175151970626158
Energy: 0.9100433057697376
Energy: 0.8175151970626158
Energy: 0.8235917376882483
Energy: 0.8422629739576656
Energy: 0.8235917376917359
Energy: 0.8422629739492957
Energy: 0.8235917376729036
Energy: 0.8422629739492957
Energy: 0.8371311461180103
Energy: 0.9000235565201293
Energy: 0.7803604244909805
Energy: 0.9000235565159443
Energy: 0.8371311461201029
Energy: 0.9000235565180368
Energy: 0.9048965108538499
Energy: 0.8680149693388935
Energy: 0.7916545522407954
Energy: 0.868014969336801
Energy: 0.9048965108482698
Energy: 0.8680149693388935
Energy: 0.7833635238378092
Energy: 0.8362992546297756
Energy: 0.7835759517556654
Energy: 0.8362992546234981
Energy: 0.7833635238412966
Energy: 0.8362992546234981
Energy: 0.779098830989739
Energy: 0.9511606266260749
Energy: 0.7795227692399812
Energy: 0.9511606266232849
Energy: 0.7790988309876465
Energy: 0.9511606266239825
Energy: 0.8960597293767402
Energy: 0.8790685305299608
Energy: 0.8960597293739503
Energy: 0.8790685305369356
Energy: 0.8960597293746477
Energy: 0.8790685305348431
Energy: 0.7686086797751817
Energy: 0.8369739124756909
Energy: 0.7683795962227843
Energy: 0.836973912461741
Energy: 0.7686086797689041
Energy: 0.8369739124694136
Energy: 0.7936953914344527
Energy: 0.8383960075948229
Energy: 0.7936953914316627
Energy: 0.8383960075962179
Energy: 0.7936953914351501
Energy: 0.8383960075948229
Energy: 0.8254492038525566
Energy: 0.8351988931660265
Energy: 0.825449203860229
Energy: 0.835198893170909
Energy: 0.8254492038581365
Energy: 0.835198893169514
Energy: 0.7890350457229484
Energy: 1.0316842169183749
Energy: 0.7890350457235825
Energy: 1.0316842169134923
Energy: 0.7890350457180659
Energy: 1.0316842169134923
Energy: 0.7358385469181552
Energy: 0.8438163320300632
Energy: 0.7358385469188528
Energy: 0.8438163320300632
Energy: 0.7358385469251301
Energy: 0.8438163320293657
Energy: 0.7673162887272501
Energy: 0.8362247408464197
Energy: 0.7673162887188802
Energy: 0.8362247408519997
Energy: 0.7673162887195777
Energy: 0.8362247408519997

minimum gb energy = 0.7358385469181552 eV
minimum distance =  2.29027877594374 Angstroms
sigma value = 43


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

Energy: 0.8281958478681456
Energy: 0.7088023928500712
Energy: 0.8281958478706865
Energy: 0.708802392849563
Energy: 0.8281958478686539
Energy: 0.708802392849563
Energy: 0.7729567927978974
Energy: 0.6852334375810638
Energy: 0.7729567927984056
Energy: 0.6852334375805557
Energy: 0.772956792801963
Energy: 0.6852334375815722
Energy: 0.7731401077322946
Energy: 0.7077941657023196
Energy: 0.773140107733311
Energy: 0.7077941656982539
Energy: 0.773140107733311
Energy: 0.7077941657063851
Energy: 0.8159875706924855
Energy: 0.7527521018660205
Energy: 0.8159875706965509
Energy: 0.7527521018655121
Energy: 0.8159875706924855
Energy: 0.7527521018644958
Energy: 0.713451050599378
Energy: 0.6441851559664123
Energy: 0.7134510505998862
Energy: 0.6441851559653959
Energy: 0.713451050596837
Energy: 0.6441851559664123
Energy: 0.7280169740462684
Energy: 0.6860437532563439
Energy: 0.7280169740472848
Energy: 0.6860437532563439
Energy: 0.7280169740467766
Energy: 0.6860437532563439
Energy: 0.6781170689626959
Energy: 0.7103410635941232
Energy: 0.6781170689591385
Energy: 0.7103410635946314
Energy: 0.6781170689616794
Energy: 0.7103410635951396
Energy: 0.7128569115593147
Energy: 0.627574326389921
Energy: 0.7128569115618557
Energy: 0.6275743263904291
Energy: 0.7128569115557574
Energy: 0.627574326389921
Energy: 0.6978894711776578
Energy: 0.6815553475863086
Energy: 0.6978894711776578
Energy: 0.6815553475848304
Energy: 0.6978894711776578
Energy: 0.6815553475833057
Energy: 0.7008440606713898
Energy: 0.6780648310924802
Energy: 0.700844060669357
Energy: 0.6780648310914639
Energy: 0.700844060671898
Energy: 0.6780648310929884
Energy: 0.8345798660893137
Energy: 0.6692258893364811
Energy: 0.834579866087789
Energy: 0.6692258893364811
Energy: 0.8345798660888054
Energy: 0.6692258893410087
Energy: 0.6639494416699357
Energy: 0.6827004629074033
Energy: 0.6639494416694277
Energy: 0.6827004629058787
Energy: 0.663949441667903
Energy: 0.6827004629053705
Energy: 0.6990096238135858
Energy: 0.651975362636596
Energy: 0.6990096238146022
Energy: 0.651975362636596
Energy: 0.6990096238156185
Energy: 0.6519753626360878
Energy: 0.8456821872875582
Energy: 0.6874119029097593
Energy: 0.8456821872850171
Energy: 0.6874119029138249
Energy: 0.845682187284509
Energy: 0.6874119029107757
Energy: 0.6851316783581332
Energy: 0.6804291573518412
Energy: 0.6851316783555921
Energy: 0.6804291573523495
Energy: 0.6851316783571167
Energy: 0.6804291573513331
Energy: 0.715042838331704
Energy: 0.7198527689387458
Energy: 0.7150428383322122
Energy: 0.7198527689387458
Energy: 0.715042838331704
Energy: 0.7198527689372214
Energy: 0.6506748821510309
Energy: 0.7058823642173719
Energy: 0.650674882151539
Energy: 0.7058823642173719
Energy: 0.6506748821530637
Energy: 0.7058823642194046
Energy: 0.7018895057548996
Energy: 0.6436881383971188
Energy: 0.7018895057523585
Energy: 0.6436881383976272
Energy: 0.7018895057564242
Energy: 0.6436881383981353
Energy: 0.6520226193598853
Energy: 0.77526577647498
Energy: 0.6520226193603935
Energy: 0.77526577647498
Energy: 0.6520226193603935
Energy: 0.7752657764739634
Energy: 0.6773162256969871
Energy: 0.7561483563951323
Energy: 0.6773162256949544
Energy: 0.7561483563966569
Energy: 0.6773162256959709
Energy: 0.7561483563976732
Energy: 0.7535423805119256
Energy: 0.767446187008367
Energy: 0.7535423805124337
Energy: 0.7674461870109079
Energy: 0.7535423805104009
Energy: 0.7674461870098915
Energy: 0.7149347454400764
Energy: 0.7691372240704849
Energy: 0.7149347454395683
Energy: 0.7691372240715012
Energy: 0.7149347454390601
Energy: 0.7691372240709929
Energy: 0.7128974190362136
Energy: 0.7716317081909844
Energy: 0.7128974190372301
Energy: 0.771631708189968
Energy: 0.7128974190357055
Energy: 0.7716317081904762
Energy: 0.7350949904495717
Energy: 0.754805427596699
Energy: 0.7350949904485553
Energy: 0.7548054275982236
Energy: 0.7350949904485553
Energy: 0.7548054275972073
Energy: 0.650304129998612
Energy: 0.6763713655276951
Energy: 0.6503041299981038
Energy: 0.6763713655317606
Energy: 0.6503041299981038
Energy: 0.6763713655282032
Energy: 0.6739742880973042
Energy: 0.740933176566594
Energy: 0.6739742880988286
Energy: 0.7409331765660858
Energy: 0.6739742880967958
Energy: 0.7409331765660858
Energy: 0.7354080728596191
Energy: 0.66995309133655
Energy: 0.7354080728606354
Energy: 0.6699530913360419
Energy: 0.7354080728626682
Energy: 0.6699530913350256
Energy: 0.62220232997492
Energy: 0.7588152704806295
Energy: 0.62220232997492
Energy: 0.7588152704811376
Energy: 0.6222023299744118
Energy: 0.7588152704816458
Energy: 0.6731918069085868
Energy: 0.6957930949868602
Energy: 0.673191806909095
Energy: 0.695793094986352
Energy: 0.6731918069096031
Energy: 0.6957930949858439
Energy: 0.6772741630928172
Energy: 0.7928786424404931
Energy: 0.6772741630918007
Energy: 0.7928786424379521
Energy: 0.6772741630907845
Energy: 0.7928786424430341
Energy: 0.6483244163733725
Energy: 0.7547473776491622
Energy: 0.6483244163728643
Energy: 0.7547473776481457
Energy: 0.648324416372356
Energy: 0.7547473776486541
Energy: 0.6736809773218847
Energy: 0.6812441613514943
Energy: 0.6736809773234093
Energy: 0.6812441613520025
Energy: 0.6736809773239173
Energy: 0.6812441613520025
Energy: 0.6582839347455539
Energy: 0.7590970470283255
Energy: 0.6582839347460621
Energy: 0.759097047027309
Energy: 0.6582839347455539
Energy: 0.7590970470318827
Energy: 0.6873587608774423
Energy: 0.8250317305639563
Energy: 0.6873587608835406
Energy: 0.8250317305624317
Energy: 0.6873587608784587
Energy: 0.8250317305619235
Energy: 0.7139075814702021
Energy: 0.6616331095867125
Energy: 0.6753446154866488
Energy: 0.6616331095867125
Energy: 0.7139075814696939
Energy: 0.6616331095856961
Energy: 0.6159002168793818
Energy: 0.6766054643740391
Energy: 0.6159002168783654
Energy: 0.6766054643958452
Energy: 0.61590021687989
Energy: 0.6766054643669244

minimum gb energy = 0.6159002168783654 eV
minimum distance =  2.28612542760184 Angstroms
sigma value = 81


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

Energy: 0.37831030314852976
Energy: 0.4230772927842433
Energy: 0.07056484427051432
Energy: 0.42307729278237605
Energy: 0.37831030314852976
Energy: 0.4230772927842433
Energy: 0.8716613636516474
Energy: 0.07180969063266215
Energy: 0.8716613636516474
Energy: 0.07180969063266215
Energy: 0.8716613636516474
Energy: 0.0718096906345294
Energy: 0.7648614714280393
Energy: 0.07198016585254258
Energy: 0.7648614714280393
Energy: 0.07198016585254258
Energy: 0.7648614714280393
Energy: 0.07198016585254258
Energy: 0.07056484427051432
Energy: 0.42307729278237605
Energy: 0.07056484427051432
Energy: 0.42307729278237605
Energy: 0.07056484426868953
Energy: 0.4230772927842433
Energy: 0.8716613636497802
Energy: 0.0718096906345294
Energy: 0.8716613636497802
Energy: 0.07180969063639661
Energy: 0.8716613636497802
Energy: 0.07180969063639661
Energy: 0.7648614714299065
Energy: 0.07198016585254258
Energy: 0.7648614714299065
Energy: 0.07198016585067535
Energy: 0.7648614714299065
Energy: 0.07198016585067535
Energy: 0.37831030314852976
Energy: 0.42307729278237605
Energy: 0.07056484427051432
Energy: 0.42307729278237605
Energy: 0.3783103031466626
Energy: 0.42307729278237605
Energy: 0.871661363647913
Energy: 0.07180969063639661
Energy: 0.8716613636497802
Energy: 0.07180969063266215
Energy: 0.8716613636516474
Energy: 0.07180969063266215
Energy: 0.7648614714299065
Energy: 0.07198016585254258
Energy: 0.7648614714299065
Energy: 0.07198016585067535
Energy: 0.7648614714299065
Energy: 0.07198016585067535
Energy: 0.07056484427051432
Energy: 0.4230772927842433
Energy: 0.07056484427051432
Energy: 0.4230772927842433
Energy: 0.07056484427051432
Energy: 0.4230772927842433

minimum gb energy = 0.07056484426868953 eV
minimum distance =  2.42032145173718 Angstroms
sigma value = 3


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

Energy: 0.7017036592239316
Energy: 0.6516168802287852
Energy: 0.7017036592222553
Energy: 0.6516168802293439
Energy: 0.7017036592244904
Energy: 0.6516168802293439
Energy: 0.6760292252508975
Energy: 0.6724963935158916
Energy: 0.6760292252503387
Energy: 0.6724963935153329
Energy: 0.6760292252503387
Energy: 0.6724963935153329
Energy: 0.7181725194077264
Energy: 0.5794009457233049
Energy: 0.7181725194077264
Energy: 0.5794009457249812
Energy: 0.7181725194082852
Energy: 0.5794009457260989
Energy: 0.7221903791416316
Energy: 0.6602377367949719
Energy: 0.722190379143308
Energy: 0.6602377367955307
Energy: 0.7221903791438667
Energy: 0.6602377367949719
Energy: 0.5797545456271278
Energy: 0.6731712322796477
Energy: 0.5797545456271278
Energy: 0.6731712322790888
Energy: 0.5797545456260103
Energy: 0.6731712322790888
Energy: 0.7185907786774687
Energy: 0.5870819798131443
Energy: 0.7185907786774687
Energy: 0.587081979811468
Energy: 0.7185907786774687
Energy: 0.5870819798153795
Energy: 0.7316067912131132
Energy: 0.6756826710809706
Energy: 0.7316067912119957
Energy: 0.6756826710804118
Energy: 0.7316067912125545
Energy: 0.6756826710804118
Energy: 0.5753003429838585
Energy: 0.6742776821551317
Energy: 0.5753003429821821
Energy: 0.6742776821584843
Energy: 0.5753003429827409
Energy: 0.6742776821556904
Energy: 0.7335460892182706
Energy: 0.7331353873877882
Energy: 0.7335460892177118
Energy: 0.7331353873883469
Energy: 0.7335460892182706
Energy: 0.7331353873872294
Energy: 0.6588925051537841
Energy: 0.6257426092787034
Energy: 0.6588925051549016
Energy: 0.625742609277027
Energy: 0.6588925051565779
Energy: 0.6257426092759094
Energy: 0.6166859538613976
Energy: 0.6754509182562669
Energy: 0.6166859538636328
Energy: 0.6754509182585019
Energy: 0.6166859538602801
Energy: 0.6754509182568257
Energy: 0.7588095561876576
Energy: 0.764452645886431
Energy: 0.7588095561876576
Energy: 0.764452645885923
Energy: 0.7588095561876576
Energy: 0.7644526458853642
Energy: 0.6376128030862604
Energy: 0.5881523928703892
Energy: 0.637612803085143
Energy: 0.5881523928703892
Energy: 0.6376128030857018
Energy: 0.5881523928703892
Energy: 0.6389042218200451
Energy: 0.7371535409814686
Energy: 0.6389042218211626
Energy: 0.7371535409825862
Energy: 0.6389042218194863
Energy: 0.7371535409820273
Energy: 0.6910750724440232
Energy: 0.7359552474519567
Energy: 0.6910750724440232
Energy: 0.7359552474519567
Energy: 0.6910750724445821
Energy: 0.7359552474519567
Energy: 0.6428865645470621
Energy: 0.579053167923547
Energy: 0.6428865645420331
Energy: 0.579053167918518
Energy: 0.6428865645409155
Energy: 0.5790531679241059
Energy: 0.6800388335795745
Energy: 0.7527065552179315
Energy: 0.680038833576222
Energy: 0.7527065552179315
Energy: 0.6800388335778982
Energy: 0.7527065552173727
Energy: 0.5850477755573757
Energy: 0.7030485761674812
Energy: 0.5850477755579346
Energy: 0.7030485761663636
Energy: 0.5850477755579346
Energy: 0.70304857616804
Energy: 0.6914578852833769
Energy: 0.586959795942704
Energy: 0.6914578852850533
Energy: 0.586959795962261
Energy: 0.6914578852844945
Energy: 0.5869597959617023
Energy: 0.6626323543630466
Energy: 0.7014510365159411
Energy: 0.6626323543624878
Energy: 0.7014510365176175
Energy: 0.6626323543636053
Energy: 0.7014510365148235
Energy: 0.7162968518531732
Energy: 0.6777953585551879
Energy: 0.7162968518542906
Energy: 0.6777953585546291
Energy: 0.7162968518526144
Energy: 0.6777953585551879
Energy: 0.5953573875852654
Energy: 0.6846886960793462
Energy: 0.595357387583589
Energy: 0.6846886960782287
Energy: 0.5953573875852654
Energy: 0.6846886960793462
Energy: 0.6723491324034448
Energy: 0.6094867009357677
Energy: 0.6723491324023273
Energy: 0.6094867009363265
Energy: 0.6723491324045624
Energy: 0.6094867009363265
Energy: 0.7016071573845372
Energy: 0.5775626964337923
Energy: 0.7016071573862136
Energy: 0.5775626964332334
Energy: 0.7016071573850959
Energy: 0.5775626964332334
Energy: 0.587720282844861
Energy: 0.6425678724796876
Energy: 0.5877202828459785
Energy: 0.6425678724791288
Energy: 0.5877202828470961
Energy: 0.6425678724791288
Energy: 0.6583804721526183
Energy: 0.7482496223810408
Energy: 0.6583804721526183
Energy: 0.7482496223821583
Energy: 0.6583804721498244
Energy: 0.7482496223810408
Energy: 0.7685482279218482
Energy: 0.575378383878631
Energy: 0.7685482279240832
Energy: 0.5753783838780723
Energy: 0.7685482279235244
Energy: 0.5753783838780723
Energy: 0.7319925494205833
Energy: 0.660954478768723
Energy: 0.7319925494200246
Energy: 0.6609544787731932
Energy: 0.7319925494205833
Energy: 0.6609544787726345
Energy: 0.6447258490774697
Energy: 0.6731008921922681
Energy: 0.6447258490718818
Energy: 0.6731008921922681
Energy: 0.6447258490757933
Energy: 0.6731008921922681
Energy: 0.7689315761600196
Energy: 0.620354393507705
Energy: 0.7689315761589021
Energy: 0.620354393512734
Energy: 0.7689315761589021
Energy: 0.6203543935116164
Energy: 0.7336160076993957
Energy: 0.6786708512786682
Energy: 0.7336160076982781
Energy: 0.6786708512786682
Energy: 0.7336160076999036
Energy: 0.6786708512786682
Energy: 0.6208948215645366
Energy: 0.6266870175459199
Energy: 0.6208948215645366
Energy: 0.6266870175453612
Energy: 0.6208948215639778
Energy: 0.6266870175459199
Energy: 0.7359007934540792
Energy: 0.6750454161951942
Energy: 0.7359007934540792
Energy: 0.6750454161951942
Energy: 0.7359007934529617
Energy: 0.6750454161946354

minimum gb energy = 0.5753003429821821 eV
minimum distance =  2.31260631840311 Angstroms
sigma value = 67


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

Energy: 0.9935328868259742
Energy: 0.8969239803917154
Energy: 0.9287205568401097
Energy: 0.896923980394104
Energy: 0.9935328868275665
Energy: 0.8969239803956239
Energy: 0.8912534130666321
Energy: 0.8582658659837388
Energy: 0.8912534130634473
Energy: 0.8582658659837388
Energy: 0.8912534130594663
Energy: 0.8582658659901082
Energy: 0.9566472442421387
Energy: 0.8981344365790171
Energy: 0.9566472442429347
Energy: 0.8981344365726477
Energy: 0.956647244243731
Energy: 0.8981344365734437
Energy: 0.873262680519923
Energy: 0.8940247838427973
Energy: 0.8732626805207193
Energy: 0.8940247838372237
Energy: 0.8732626805215155
Energy: 0.8940247838372237
Energy: 0.7677910747081165
Energy: 0.8039885744389694
Energy: 0.7677910747128934
Energy: 0.8039885744310075
Energy: 0.7677910747041354
Energy: 0.8039885744294151
Energy: 0.8790337645416593
Energy: 0.8540698582645921
Energy: 0.8790337645416593
Energy: 0.8540698582709617
Energy: 0.8790337645456403
Energy: 0.8540698582709617
Energy: 0.8733315632114373
Energy: 0.7903964027483473
Energy: 0.8733315632130297
Energy: 0.7903964027459589
Energy: 0.8733315632162145
Energy: 0.7903964027443664
Energy: 0.8525463750799589
Energy: 0.8240821489655458
Energy: 0.8525463711040019
Energy: 0.8240821489639535
Energy: 0.8525463607262405
Energy: 0.8240821489623611
Energy: 0.9129541717961486
Energy: 0.9536830130802917
Energy: 0.9129541717961486
Energy: 0.9536830130763106
Energy: 0.9129541717977409
Energy: 0.9536830130779032
Energy: 0.8173045513064506
Energy: 0.7858605325072434
Energy: 0.8173045513080431
Energy: 0.7858605324992816
Energy: 0.8173045513064506
Energy: 0.7858605324992816
Energy: 0.883443120677129
Energy: 0.8504831924540088
Energy: 0.8834431206787215
Energy: 0.850483192446843
Energy: 0.8834431206779254
Energy: 0.8504831924500278
Energy: 0.8414251752749968
Energy: 0.9287392897490188
Energy: 0.8414459292702545
Energy: 0.9287392897474266
Energy: 0.8414251752757932
Energy: 0.9287392897466302
Energy: 0.9380788983548745
Energy: 0.7798996341365558
Energy: 0.9382154263444809
Energy: 0.7798996341301864
Energy: 0.9380788983588553
Energy: 0.7798996341293901
Energy: 0.9353963360619714
Energy: 0.8972403565772574
Energy: 0.787929246889692
Energy: 0.8972403565804421
Energy: 0.9353963360571942
Energy: 0.8972403565812384
Energy: 0.8991390591387097
Energy: 0.8909606321154193
Energy: 0.8192169195133868
Energy: 0.8909606321098459
Energy: 0.899139059135525
Energy: 0.8909606321090497
Energy: 0.7907545818201871
Energy: 0.9070406389094116
Energy: 0.7230479276823418
Energy: 0.9070406389133926
Energy: 0.7907545818265567
Energy: 0.9070406389133926
Energy: 0.8961739829312501
Energy: 0.949738145566449
Energy: 0.896173982934435
Energy: 0.9497381455680415
Energy: 0.8961739829320464
Energy: 0.9497381455688375
Energy: 0.8349166774210302
Energy: 0.7716166756348161
Energy: 0.8349166774218264
Energy: 0.7716166756372045
Energy: 0.8349166774226225
Energy: 0.7716166756332237
Energy: 0.9159715665951749
Energy: 0.8880183859493507
Energy: 0.9159715665951749
Energy: 0.8880183859573126
Energy: 0.9159715665943786
Energy: 0.8880183859573126
Energy: 0.7776233869956178
Energy: 0.8902792109945932
Energy: 0.7776233869900446
Energy: 0.8902792109922044
Energy: 0.7776233869956178
Energy: 0.8902792109922044
Energy: 0.8937346404236328
Energy: 0.7790603112674405
Energy: 0.8937346404164672
Energy: 0.7790603112706252
Energy: 0.8937346404188558
Energy: 0.7790603112761986
Energy: 0.8635059827076326
Energy: 0.846018813674962
Energy: 0.8635059827076326
Energy: 0.846018813674962
Energy: 0.8635059827044478
Energy: 0.8460188136709811
Energy: 0.8606144695413018
Energy: 0.7907365439132379
Energy: 0.8606144695428942
Energy: 0.790736543914034
Energy: 0.8606144695389133
Energy: 0.790736543914034

minimum gb energy = 0.7230479276823418 eV
minimum distance =  2.32082664283738 Angstroms
sigma value = 33


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

Energy: 1.0446908746169081
Energy: 0.9139074827782765
Energy: 1.006112875207145
Energy: 0.9139074827782765
Energy: 1.0446908746189285
Energy: 0.9139074827787816
Energy: 0.9328441452111372
Energy: 0.9579736404411375
Energy: 0.9328441452116425
Energy: 0.957973640443663
Energy: 0.932844145214673
Energy: 0.9579736404446731
Energy: 0.9604140924774324
Energy: 0.9809482258929112
Energy: 0.9604140924844577
Energy: 0.9809482258939214
Energy: 0.9604140924834476
Energy: 0.9809482258944264
Energy: 0.9887661694933378
Energy: 0.9408003170714746
Energy: 0.9887661694938429
Energy: 0.9408003170760205
Energy: 0.988766169487782
Energy: 0.9408003170765256
Energy: 0.8701240417675536
Energy: 0.9148935806698352
Energy: 0.8701240417645691
Energy: 0.9148935806612487
Energy: 0.870124041770079
Energy: 0.9148935806607437
Energy: 0.962307683401706
Energy: 0.9577621379007113
Energy: 0.9623076833976655
Energy: 0.957762137894145
Energy: 0.962307683401201
Energy: 0.95776213789364
Energy: 0.8897846205402138
Energy: 0.8650641510498664
Energy: 0.8897846205407189
Energy: 0.8650641510528971
Energy: 0.8897846205402138
Energy: 0.8650641510523921
Energy: 0.9409181122835473
Energy: 0.9813179250625604
Energy: 0.9409181122850624
Energy: 0.9813179250549842
Energy: 0.9409181122880931
Energy: 0.9813179250549842
Energy: 0.954020503256523
Energy: 0.9744399754063333
Energy: 0.9540205663841931
Energy: 0.9744399754073435
Energy: 0.9540205032494518
Energy: 0.9744399754073435
Energy: 0.9325598673682264
Energy: 0.9097053385409504
Energy: 0.9325598673672162
Energy: 0.9097053385374149
Energy: 0.9325598673672162
Energy: 0.9097053385364046
Energy: 0.9740141185295519
Energy: 0.9987172342655265
Energy: 0.974027563296195
Energy: 0.9987172342705772
Energy: 0.974014118534603
Energy: 0.998717234269567
Energy: 0.891275617656952
Energy: 0.9587073771767615
Energy: 0.891275617657457
Energy: 0.9587073771737309
Energy: 0.8912756176584673
Energy: 0.958707377174236
Energy: 1.000012954007809
Energy: 0.9167177919402978
Energy: 1.0000129540088192
Energy: 0.9167177919382774
Energy: 1.000012954008314
Energy: 0.9167177919372673
Energy: 0.9595813649708435
Energy: 0.9967431930746629
Energy: 0.9595813649668027
Energy: 0.9967431930686018
Energy: 0.959581364962762
Energy: 0.9967431930686018
Energy: 0.9144257163755735
Energy: 0.9526390172609892
Energy: 0.914425716379109
Energy: 0.9526390172630095
Energy: 0.9144257163780989
Energy: 0.9526390172625044
Energy: 1.0135717794473713
Energy: 0.952297429451143
Energy: 1.0135717794443404
Energy: 0.9522974294465973
Energy: 1.0135717794408048
Energy: 0.9522974294471024
Energy: 0.8728755601547614
Energy: 0.9610905400201546
Energy: 0.8728755601542564
Energy: 0.9610905400231851
Energy: 0.8728755601588023
Energy: 0.9610905400236902
Energy: 0.9844514418846544
Energy: 1.0440033636492667
Energy: 0.9844514418876849
Energy: 1.0440033636497719
Energy: 0.9844514418816237
Energy: 1.0440033636497719
Energy: 0.8916659678834873
Energy: 0.9348385586055791
Energy: 0.8916659678824772
Energy: 0.9348385586121453
Energy: 0.8916659678809619
Energy: 0.9348385586116402
Energy: 0.9425809983508184
Energy: 0.9205276748374284
Energy: 0.9425809983498082
Energy: 0.9205276748384384
Energy: 0.9425809983528387
Energy: 0.9205276748389436
Energy: 0.9609435568973789
Energy: 0.9956252014827767
Energy: 0.961182422410044
Energy: 0.995625201490353
Energy: 0.9609435568948534
Energy: 0.995625201490353
Energy: 0.9214370027171455
Energy: 0.8896838341552207
Energy: 0.9214370027191199
Energy: 0.8896838341562309
Energy: 0.9214370027161353
Energy: 0.8896838341567359
Energy: 1.0030713719365667
Energy: 0.9968425483218414
Energy: 0.9166633058880288
Energy: 0.9968425483248718
Energy: 1.003071371931011
Energy: 0.9968425483233567
Energy: 0.9880855617129045
Energy: 0.9536540374752489
Energy: 0.9562512252838128
Energy: 0.9536540374787847
Energy: 0.9880855617118944
Energy: 0.9536540374782796
Energy: 0.9314825697290317
Energy: 0.9555963803898212
Energy: 0.8899308528121574
Energy: 0.9555963803903262
Energy: 0.9314825697310519
Energy: 0.9555963803918416
Energy: 0.973196704752216
Energy: 1.002999106764499
Energy: 0.9731967047542364
Energy: 1.0029991067634887
Energy: 0.9731967047501956
Energy: 1.002999106763994
Energy: 0.8824659560858954
Energy: 0.9297594582902907
Energy: 0.88246595608438
Energy: 0.9297594582963516
Energy: 0.8824659560848851
Energy: 0.9297594582968568
Energy: 0.882499376264153
Energy: 1.0272407910663592
Energy: 0.8824993762616276
Energy: 1.0272407910698949
Energy: 0.8824993762606175
Energy: 1.0272407910698949
Energy: 0.8940174929388539
Energy: 0.9367143194942603
Energy: 0.8940174929383489
Energy: 0.9367143194902194
Energy: 0.8940174929403691
Energy: 0.9367143194892092
Energy: 0.8896132373822195
Energy: 0.9087676542715138
Energy: 0.8896132373796939
Energy: 0.9087676542694934
Energy: 0.8896132373812091
Energy: 0.908767654261412
Energy: 1.0412065865169977
Energy: 1.0168120754078234
Energy: 1.0412065865190183
Energy: 1.0168120753987315
Energy: 1.0412065865230586
Energy: 1.0168120753987315
Energy: 0.8742061534575065
Energy: 0.9195551963034286
Energy: 0.8742340428327613
Energy: 0.9195551963069643
Energy: 0.8742061534590221
Energy: 0.9195551963059541
Energy: 0.9836110888409847
Energy: 0.9511706242104567
Energy: 0.983607647995076
Energy: 0.951170624205406
Energy: 0.9836110888379542
Energy: 0.9511706242069212
Energy: 0.9767402770402345
Energy: 0.9583234399871908
Energy: 0.9767402770457906
Energy: 0.9583234399856756
Energy: 0.9767402770417497
Energy: 0.9583234399856756
Energy: 0.9012161773388907
Energy: 0.9806879843517602
Energy: 0.9012161773399009
Energy: 0.9806879843497399
Energy: 0.9012161773388907
Energy: 0.9806879843502451
Energy: 1.0275672813798362
Energy: 0.9164140455068076
Energy: 1.0275672813798362
Energy: 0.9164140455012976
Energy: 1.0275672813778158
Energy: 0.9164140455007923
Energy: 0.9354616952200603
Energy: 0.9535371234449483
Energy: 0.9354616952251112
Energy: 0.9535371234424229
Energy: 0.9354616952205653
Energy: 0.9535371234419179

minimum gb energy = 0.8650641510498664 eV
minimum distance =  2.22704239015516 Angstroms
sigma value = 41


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

Energy: 1.2424588378201424
Energy: 1.151126737500882
Energy: 1.0988346782873284
Energy: 1.1511267374995031
Energy: 1.2424588378201424
Energy: 1.1511267374995031
Energy: 1.11527103898827
Energy: 1.173918783201928
Energy: 1.11527103898827
Energy: 1.173918783201928
Energy: 1.115271038991028
Energy: 1.173918783201928
Energy: 1.1811082954620924
Energy: 1.1614150450628817
Energy: 1.1811082954593344
Energy: 1.1614150450642609
Energy: 1.1811082954579553
Energy: 1.1614150450642609
Energy: 1.1063156870329398
Energy: 1.0786610887343777
Energy: 1.106315687031561
Energy: 1.0786610887316197
Energy: 1.106315687031561
Energy: 1.0786610887316197
Energy: 1.1398141664121184
Energy: 1.071842493810351
Energy: 1.1398141640715709
Energy: 1.071842493807593
Energy: 1.139814160045144
Energy: 1.0718424938062139
Energy: 1.1352332566057273
Energy: 1.123318418433817
Energy: 1.1352332566084853
Energy: 1.123318418437954
Energy: 1.1352332566071064
Energy: 1.123318418439333
Energy: 1.1003714236015048
Energy: 1.1020144409677992
Energy: 1.1003714235987467
Energy: 1.1020144409691786
Energy: 1.1003714236015048
Energy: 1.1020144409691786
Energy: 1.216950754323361
Energy: 1.1627137039679558
Energy: 1.216950754327498
Energy: 1.1627137039624396
Energy: 1.216950754326119
Energy: 1.1627137039624396
Energy: 1.1691233472089124
Energy: 1.0265282144744192
Energy: 1.0306364473260181
Energy: 1.0265282144730403
Energy: 1.1691233472130496
Energy: 1.0265282144730403
Energy: 1.202232305073056
Energy: 1.1413001418983908
Energy: 1.1022524090895087
Energy: 1.1413001418970117
Energy: 1.2022323050716768
Energy: 1.1413001418970117
Energy: 1.1145882116210752
Energy: 1.1611144193251737
Energy: 1.1145882116183172
Energy: 1.1611144193293108
Energy: 1.114588211615559
Energy: 1.1611144193293108
Energy: 1.0701293736451318
Energy: 1.1286973506089115
Energy: 1.0701293736437525
Energy: 1.1286973506116695
Energy: 1.0701293736451318
Energy: 1.1286973506075322
Energy: 1.106264975169432
Energy: 1.0741982655016395
Energy: 1.1062649751721902
Energy: 1.0741982655002609
Energy: 1.106264975169432
Energy: 1.0741982655002609
Energy: 1.141138550326323
Energy: 1.0818413480795337
Energy: 1.1411385503277018
Energy: 1.0818413480809126
Energy: 1.141138550326323
Energy: 1.0818413480809126

minimum gb energy = 1.0265282144730403 eV
minimum distance =  2.26236794112373 Angstroms
sigma value = 11


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

Energy: 1.2413093353212554
Energy: 1.2354944240715482
Energy: 1.2413093353206495
Energy: 1.2354944240709425
Energy: 1.2413093353206495
Energy: 1.2354944240709425
Energy: 1.1264167513655716
Energy: 1.1901147295096977
Energy: 1.1264167513655716
Energy: 1.1901147295103036
Energy: 1.12641675136436
Energy: 1.1901147295103036
Energy: 1.2527482378883423
Energy: 1.1794493768019554
Energy: 1.2527482378871309
Energy: 1.1794493768025613
Energy: 1.25274823789016
Energy: 1.1794493768019554
Energy: 1.1913966178984616
Energy: 1.1540487068723633
Energy: 1.1913966178978557
Energy: 1.1540487068723633
Energy: 1.1913966178984616
Energy: 1.1540487068723633
Energy: 1.2001895474930606
Energy: 1.1739256819494963
Energy: 1.2001895474930606
Energy: 1.1739256819488904
Energy: 1.2001895474918491
Energy: 1.1739256819501023
Energy: 1.1685087854868428
Energy: 1.2038679463263002
Energy: 1.168508785485631
Energy: 1.2038679463263002
Energy: 1.168508785485631
Energy: 1.2038679463250885
Energy: 1.184435192219589
Energy: 1.1684098507028184
Energy: 1.1844351922201946
Energy: 1.1684098507028184
Energy: 1.184435192219589
Energy: 1.168409850703424
Energy: 1.1747077381496778
Energy: 1.1898370844290205
Energy: 1.1747077381508897
Energy: 1.1898370844296264
Energy: 1.1747077381514957
Energy: 1.1898370844290205
Energy: 1.183107670249985
Energy: 1.1897307687419385
Energy: 1.1831076702481675
Energy: 1.1897307687425442
Energy: 1.183107670249985
Energy: 1.1897307687419385
Energy: 1.1657970857967361
Energy: 1.1940620799377228
Energy: 1.165797085797342
Energy: 1.1940620799383286
Energy: 1.1657970857961304
Energy: 1.1940620799371169
Energy: 1.1816910382388326
Energy: 1.1822410242610288
Energy: 1.1816910382382266
Energy: 1.1822410242604229
Energy: 1.181691038234592
Energy: 1.1822410242610288
Energy: 1.175127290208476
Energy: 1.201071999524244
Energy: 1.1751272902078702
Energy: 1.201071999524244
Energy: 1.1751272902096874
Energy: 1.2010719995236383
Energy: 1.1906146233968313
Energy: 1.1884856032296973
Energy: 1.1906146233974373
Energy: 1.1884856032290916
Energy: 1.1906146233962256
Energy: 1.1884856032284856
Energy: 1.182900816345051
Energy: 1.2061574224117348
Energy: 1.182900816345657
Energy: 1.2061574224117348
Energy: 1.1829008163468686
Energy: 1.2061574224123406
Energy: 1.1301968958830402
Energy: 1.168627077364719
Energy: 1.1301968958818287
Energy: 1.1686270773635075
Energy: 1.1301968958818287
Energy: 1.168627077364719
Energy: 1.1843816431453984
Energy: 1.1692210713845514
Energy: 1.1843816431441871
Energy: 1.1692210713845514
Energy: 1.1843816431453984
Energy: 1.1692210713839457
Energy: 1.1484041943122327
Energy: 1.1872053940084704
Energy: 1.1484041943140502
Energy: 1.1872053940084704
Energy: 1.1484041943122327
Energy: 1.187205394009076
Energy: 1.2111878158838913
Energy: 1.2206485790659074
Energy: 1.2111878158832856
Energy: 1.2206485790665131
Energy: 1.2111878158826797
Energy: 1.2206485790653017
Energy: 1.15537434508315
Energy: 1.1425879874875033
Energy: 1.1553743450825442
Energy: 1.1425879874868978
Energy: 1.1553743450825442
Energy: 1.1425879874868978
Energy: 1.1702850672318017
Energy: 1.1777396699377678
Energy: 1.1702850672318017
Energy: 1.1777396699377678
Energy: 1.1702850672318017
Energy: 1.1777396699377678
Energy: 1.1371716434416792
Energy: 1.1592273789636849
Energy: 1.1371716434428911
Energy: 1.1592273789636849
Energy: 1.1371716434428911
Energy: 1.1592273789624732
Energy: 1.2327836131605459
Energy: 1.2184780111670928
Energy: 1.2327836131611516
Energy: 1.218478011166487
Energy: 1.2327836131611516
Energy: 1.2184780111670928
Energy: 1.1814682705465502
Energy: 1.1784024601001766
Energy: 1.1814682705465502
Energy: 1.1784024600995706
Energy: 1.1814682705453388
Energy: 1.1784024600995706
Energy: 1.2127137371482293
Energy: 1.1869982242835895
Energy: 1.2127137371476233
Energy: 1.1869982242823778
Energy: 1.2127137371482293
Energy: 1.1869982242829835
Energy: 1.1699638137690158
Energy: 1.1840727095259438
Energy: 1.1699638137696218
Energy: 1.1840727095259438
Energy: 1.1699638137690158
Energy: 1.1840727095265495
Energy: 1.1541192197969972
Energy: 1.1781383509042278
Energy: 1.1541192197969972
Energy: 1.1781383509036218
Energy: 1.1541192197969972
Energy: 1.178138350903016
Energy: 1.1526633170512297
Energy: 1.2246910314183195
Energy: 1.1526633170524414
Energy: 1.224691031417108
Energy: 1.1526633170366902
Energy: 1.224691031415896
Energy: 1.1899875775348867
Energy: 1.1598482491393842
Energy: 1.1899875775360982
Energy: 1.1598482491387783
Energy: 1.1899875775354924
Energy: 1.1598482491387783
Energy: 1.1837889470265954
Energy: 1.213346171280614
Energy: 1.1837889470272012
Energy: 1.2133461712800082
Energy: 1.1837889470272012
Energy: 1.213346171280614
Energy: 1.159601444020753
Energy: 1.1246788399344103
Energy: 1.1596014440213587
Energy: 1.124678839933805
Energy: 1.1596014440213587
Energy: 1.1246788399344103
Energy: 1.1650074044061323
Energy: 1.1992645479505963
Energy: 1.165007404406738
Energy: 1.1992645479499906
Energy: 1.1650074044055265
Energy: 1.1992645479499906

minimum gb energy = 1.124678839933805 eV
minimum distance =  2.22728097718683 Angstroms
sigma value = 57


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

Energy: 1.2211617996913804
Energy: 1.2060126665481783
Energy: 1.1275747969179335
Energy: 1.2060126665471
Energy: 1.2211617996892243
Energy: 1.2060126665471
Energy: 1.2878425038056671
Energy: 1.254320378376045
Energy: 1.2878425038056671
Energy: 1.254320378374967
Energy: 1.287842503804589
Energy: 1.254320378376045
Energy: 1.2192780614982848
Energy: 1.2560577979792575
Energy: 1.2192780614982848
Energy: 1.2560577979824918
Energy: 1.219278061499363
Energy: 1.2560577979824918
Energy: 1.1399231211624445
Energy: 1.359544455517083
Energy: 1.1399231211614154
Energy: 1.359544455517083
Energy: 1.1399231211614154
Energy: 1.3595444555149268
Energy: 1.2709397340113036
Energy: 1.2559671181162382
Energy: 1.2709397340123816
Energy: 1.2559671181140823
Energy: 1.2709397340134598
Energy: 1.255967118113004
Energy: 1.1268499667277794
Energy: 1.25330780288302
Energy: 1.1268499667267013
Energy: 1.2533078028873321
Energy: 1.1268499667245453
Energy: 1.2533078028873321
Energy: 1.1275747969168557
Energy: 1.2060126665481783
Energy: 1.1275747969168557
Energy: 1.2060126665471
Energy: 1.1275747969168557
Energy: 1.2060126665481783
Energy: 1.2878425038067451
Energy: 1.254320378377123
Energy: 1.2878425038056671
Energy: 1.254320378376045
Energy: 1.2878425038078232
Energy: 1.254320378374967
Energy: 1.219278061499363
Energy: 1.2560577979803358
Energy: 1.219278061499363
Energy: 1.2560577979835699
Energy: 1.2192780615004408
Energy: 1.2560577979835699
Energy: 1.1399231211603373
Energy: 1.1603329528284856
Energy: 1.1399231211603373
Energy: 1.1603329528338757
Energy: 1.1399231211635226
Energy: 1.1603329528338757
Energy: 1.2709397340102255
Energy: 1.2559490758026404
Energy: 1.2709397340102255
Energy: 1.2559490757983285
Energy: 1.2709397340113036
Energy: 1.2559490757983285
Energy: 1.2156171606512
Energy: 1.2446783821243121
Energy: 1.126849966721311
Energy: 1.2446783821232341
Energy: 1.2156171606501223
Energy: 1.2446783821232341
Energy: 1.2211617996913804
Energy: 1.206012666544944
Energy: 1.1275747969179335
Energy: 1.206012666544944
Energy: 1.2211617996892243
Energy: 1.206012666544944
Energy: 1.2878425038078232
Energy: 1.254320378374967
Energy: 1.2878425038067451
Energy: 1.2543203783717327
Energy: 1.2878425038067451
Energy: 1.2543203783717327
Energy: 1.219278061501519
Energy: 1.2560577979792575
Energy: 1.2192780615004408
Energy: 1.2560577979824918
Energy: 1.2192780615036751
Energy: 1.2560577979824918
Energy: 1.1399231211603373
Energy: 1.263828956771823
Energy: 1.1399231211624445
Energy: 1.263828956769667
Energy: 1.1399231211635226
Energy: 1.263828956770745
Energy: 1.2709397340080695
Energy: 1.2559671181162382
Energy: 1.2709397340102255
Energy: 1.2559671181140823
Energy: 1.2709397340134598
Energy: 1.2559671181140823

minimum gb energy = 1.126849966721311 eV
minimum distance =  2.22562610956627 Angstroms
sigma value = 9


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

Energy: 1.2436834389471436
Energy: 1.1953466232467749
Energy: 1.2436834389462637
Energy: 1.1953466232467749
Energy: 1.2436834389471436
Energy: 1.195346623245895
Energy: 1.2481340913006282
Energy: 1.2092310320979163
Energy: 1.2481340912979877
Energy: 1.2092310320970359
Energy: 1.2481340912988677
Energy: 1.2092310320979163
Energy: 1.2309510414567169
Energy: 1.2117043752904202
Energy: 1.2309510414593576
Energy: 1.2117043752904202
Energy: 1.2309510414567169
Energy: 1.2117043752895398
Energy: 1.1905801690593012
Energy: 1.3251280062297601
Energy: 1.1905801690610616
Energy: 1.3251280062297601
Energy: 1.1905801690584208
Energy: 1.3251280062306403
Energy: 1.2273495969764612
Energy: 1.2142917207152897
Energy: 1.2273495969764612
Energy: 1.2142917207152897
Energy: 1.2273495969764612
Energy: 1.2142917207161699
Energy: 1.2383455374237442
Energy: 1.1977049513193658
Energy: 1.238345537422864
Energy: 1.1977049513176052
Energy: 1.2383455374237442
Energy: 1.1977049513176052
Energy: 1.188008800071656
Energy: 1.2508587184263507
Energy: 1.1880088000734164
Energy: 1.2508587184254705
Energy: 1.188008800071656
Energy: 1.2508587184263507
Energy: 1.1955747487674473
Energy: 1.2512482096139137
Energy: 1.1955747487692077
Energy: 1.2512482096147939
Energy: 1.1955747487665669
Energy: 1.2512482096130335
Energy: 1.313161547625317
Energy: 1.2163686875013002
Energy: 1.3131615476305982
Energy: 1.2163686875013002
Energy: 1.3131615476261973
Energy: 1.2163686875013002
Energy: 1.191283874905961
Energy: 1.2146289706835172
Energy: 1.191283874905961
Energy: 1.2146289706835172
Energy: 1.191283874905961
Energy: 1.2146289706835172
Energy: 1.2007484000154771
Energy: 1.2510765380906959
Energy: 1.2007484000154771
Energy: 1.2510765380898157
Energy: 1.2007484000172377
Energy: 1.2510765380898157
Energy: 1.2696194141004382
Energy: 1.2031569920604397
Energy: 1.2696194140977974
Energy: 1.2031569920586793
Energy: 1.2696194140986776
Energy: 1.2031569920604397
Energy: 1.193258795492878
Energy: 1.2879729528924395
Energy: 1.1932587954937584
Energy: 1.2879729528906791
Energy: 1.193258795492878
Energy: 1.287972952891559
Energy: 1.2306515502609254
Energy: 1.224673660927011
Energy: 1.2306515502626858
Energy: 1.2246736609278914
Energy: 1.2306515502609254
Energy: 1.2246736609261308
Energy: 1.2978230961925372
Energy: 1.1976899686297524
Energy: 1.2978230961925372
Energy: 1.1976899686288724
Energy: 1.297823096191657
Energy: 1.1976899686288724
Energy: 1.2211092878665564
Energy: 1.2412712472042484
Energy: 1.2211092878683167
Energy: 1.2412712472051288
Energy: 1.2211092878674366
Energy: 1.2412712472051288
Energy: 1.2236687053784363
Energy: 1.2382516323261519
Energy: 1.2236687053784363
Energy: 1.238251632321751
Energy: 1.223668705377556
Energy: 1.238251632321751
Energy: 1.3578655139772324
Energy: 1.2008360001767524
Energy: 1.357865513976352
Energy: 1.2008360001767524
Energy: 1.357865513975472
Energy: 1.2008360001758722
Energy: 1.202408682736928
Energy: 1.2276609657861923
Energy: 1.202408682736928
Energy: 1.2276609657870725
Energy: 1.202408682736928
Energy: 1.2276609657861923
Energy: 1.2016087784444527
Energy: 1.2000511592905208
Energy: 1.2016087784453329
Energy: 1.2000511592914012
Energy: 1.201608778442692
Energy: 1.2000511592905208
Energy: 1.3019987338061887
Energy: 1.2031037971019198
Energy: 1.3019987338079493
Energy: 1.2031037971010394
Energy: 1.3019987338070689
Energy: 1.2031037971019198

minimum gb energy = 1.188008800071656 eV
minimum distance =  2.24878936747189 Angstroms
sigma value = 27


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

Energy: 1.214477087505745
Energy: 1.2423614192588275
Energy: 1.1678777116844181
Energy: 1.2423614192588275
Energy: 1.214477087505745
Energy: 1.2423614192617953
Energy: 1.2279409908434962
Energy: 1.174463652045913
Energy: 1.2279409908420122
Energy: 1.174463652045913
Energy: 1.2279409908427543
Energy: 1.174463652045913
Energy: 1.216574421325007
Energy: 1.1816075550912866
Energy: 1.2165744213257488
Energy: 1.1816075550920284
Energy: 1.216574421325007
Energy: 1.1816075550905445
Energy: 1.1428951992160943
Energy: 1.2319485274015485
Energy: 1.14289519921832
Energy: 1.2319485274008068
Energy: 1.1428951992160943
Energy: 1.2319485274015485
Energy: 1.1663464690056689
Energy: 1.2058405353691042
Energy: 1.1663464690071528
Energy: 1.2058405353676205
Energy: 1.166346469006411
Energy: 1.2058405353691042
Energy: 1.2449023960338415
Energy: 1.140283347044415
Energy: 1.2449023960345835
Energy: 1.140283347043673
Energy: 1.2449023960345835
Energy: 1.140283347044415
Energy: 1.166876221090145
Energy: 1.236620974598506
Energy: 1.1668762210886614
Energy: 1.236620974598506
Energy: 1.166876221090887
Energy: 1.2366209746014736
Energy: 1.2788545071095196
Energy: 1.169741132522266
Energy: 1.278854507108036
Energy: 1.169741132522266
Energy: 1.2788545071095196
Energy: 1.169741132522266
Energy: 1.1664957802695604
Energy: 1.1407453392221991
Energy: 1.1664957802665925
Energy: 1.1407453392229412
Energy: 1.1664957802680764
Energy: 1.1407453392199736
Energy: 1.1598652254559956
Energy: 1.1622529787169682
Energy: 1.1598652254537698
Energy: 1.1622529787169682
Energy: 1.1598652254537698
Energy: 1.1622529787162263
Energy: 1.1629077515917134
Energy: 1.2060000961154513
Energy: 1.1629077515902297
Energy: 1.2060000961147093
Energy: 1.1629077515909716
Energy: 1.2060000961109991
Energy: 1.2355109280036871
Energy: 1.1396072740266674
Energy: 1.2355109280066552
Energy: 1.1396072740251835
Energy: 1.235510928002945
Energy: 1.1396072740266674
Energy: 1.221128500242517
Energy: 1.233430779659207
Energy: 1.221128500245485
Energy: 1.233430779659207
Energy: 1.221128500244001
Energy: 1.233430779657723
Energy: 1.1669735358656013
Energy: 1.162311038309993
Energy: 1.1669735358663433
Energy: 1.1623110383114768
Energy: 1.1669735358656013
Energy: 1.162311038309993
Energy: 1.251607743199985
Energy: 1.14054148829401
Energy: 1.2516077432022106
Energy: 1.140541488294752
Energy: 1.251607743199985
Energy: 1.1405414882888163
Energy: 1.1653525874869188
Energy: 1.1735302622043082
Energy: 1.1653525874861768
Energy: 1.1735302622065342
Energy: 1.1653525874861768
Energy: 1.1735302622035662
Energy: 1.1377916174698728
Energy: 1.1994666183045488
Energy: 1.1377916174669387
Energy: 1.1994666183052907
Energy: 1.1377916174698728
Energy: 1.1994666183030651
Energy: 1.2361443774051901
Energy: 1.1820903248267955
Energy: 1.2361443774074157
Energy: 1.1820903248267955
Energy: 1.2361443774051901
Energy: 1.1820903248267955
Energy: 1.179857235978396
Energy: 1.1663624302813878
Energy: 1.1444388893887598
Energy: 1.1663624302821298
Energy: 1.179857235981364
Energy: 1.1663624302836137
Energy: 1.2144770875042608
Energy: 1.2423614192580856
Energy: 1.1678777116844181
Energy: 1.2423614192580856
Energy: 1.214477087505003
Energy: 1.2423614192588275
Energy: 1.2279409908412704
Energy: 1.174463652047397
Energy: 1.2279409908427543
Energy: 1.1744636520466551
Energy: 1.2279409908420122
Energy: 1.1744636520466551
Energy: 1.2165744213287166
Energy: 1.1816075550920284
Energy: 1.2165744213279748
Energy: 1.1816075550927705
Energy: 1.2165744213272327
Energy: 1.1816075550935126
Energy: 1.1428951992168361
Energy: 1.2319485274030324
Energy: 1.1428951992153522
Energy: 1.2319485274022905
Energy: 1.1428951992146104
Energy: 1.2319485274052584
Energy: 1.166346469006411
Energy: 1.2058405353661366
Energy: 1.1663464690078948
Energy: 1.2058405353668786
Energy: 1.166346469006411
Energy: 1.2058405353661366
Energy: 1.2449023960323575
Energy: 1.1402833470451568
Energy: 1.2449023960338415
Energy: 1.1402833470458986
Energy: 1.2449023960330996
Energy: 1.140283347043673

minimum gb energy = 1.1377916174669387 eV
minimum distance =  2.27205948276318 Angstroms
sigma value = 19


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

Energy: 1.154305149119736
Energy: 1.2115039460813073
Energy: 1.1543051491190954
Energy: 1.2115039460813073
Energy: 1.154305149119736
Energy: 1.211503946081948
Energy: 1.1689301814305855
Energy: 1.1247549231514486
Energy: 1.1689301814305855
Energy: 1.1247549231508083
Energy: 1.168930181431226
Energy: 1.1247549231501681
Energy: 1.230064485396957
Energy: 1.0965784738065358
Energy: 1.2300644853975973
Energy: 1.0965784738065358
Energy: 1.2300644853963165
Energy: 1.096578473807176
Energy: 1.121493097812597
Energy: 1.205402973771551
Energy: 1.121493097812597
Energy: 1.205402973771551
Energy: 1.1214930978119566
Energy: 1.205402973771551
Energy: 1.1524552629719316
Energy: 1.1640937250727248
Energy: 1.152455262973853
Energy: 1.1640937250714436
Energy: 1.1524552629706506
Energy: 1.1640937250727248
Energy: 1.2013680425694393
Energy: 1.1228816607324925
Energy: 1.20136804257008
Energy: 1.1228816607318521
Energy: 1.2013680425707205
Energy: 1.1228816607324925
Energy: 1.1028794310023435
Energy: 1.1995380059593053
Energy: 1.1028794310029841
Energy: 1.1995380059593053
Energy: 1.1028794310029841
Energy: 1.1995380059580245
Energy: 1.144831802078802
Energy: 1.204199581547615
Energy: 1.1448318020781614
Energy: 1.204199581547615
Energy: 1.144831802077521
Energy: 1.2041995815482553
Energy: 1.2406345104095282
Energy: 1.101119529005802
Energy: 1.2406345104108092
Energy: 1.101119529005802
Energy: 1.2406345104101686
Energy: 1.1011195290064424
Energy: 1.1621095947239144
Energy: 1.1530908595189402
Energy: 1.1621095947239144
Energy: 1.1530908595195808
Energy: 1.162109594725195
Energy: 1.1530908595195808
Energy: 1.1079036942502785
Energy: 1.2200951863279248
Energy: 1.1079036942502785
Energy: 1.2200951863285652
Energy: 1.1079036942509188
Energy: 1.2200951863279248
Energy: 1.1759213132555804
Energy: 1.1011570385663678
Energy: 1.1759213132562207
Energy: 1.101157038565087
Energy: 1.1759213132549398
Energy: 1.1011570385657274
Energy: 1.1090015002240232
Energy: 1.1299013419096315
Energy: 1.1090015002246636
Energy: 1.129901341908991
Energy: 1.1090015002240232
Energy: 1.129901341908991
Energy: 1.1179267277919138
Energy: 1.205563289488958
Energy: 1.1179267277931948
Energy: 1.2055632894895985
Energy: 1.1179267277931948
Energy: 1.2055632894902388
Energy: 1.1893637396677614
Energy: 1.1017542601794619
Energy: 1.1893637396664805
Energy: 1.1017542601794619
Energy: 1.1893637396684018
Energy: 1.1017542601794619
Energy: 1.215908745784466
Energy: 1.0956450849687047
Energy: 1.2159087457851065
Energy: 1.0956450849687047
Energy: 1.215908745785747
Energy: 1.0956450849680643
Energy: 1.1204322120780117
Energy: 1.1739607010799713
Energy: 1.1204322120786523
Energy: 1.1739607010806117
Energy: 1.1204322120786523
Energy: 1.1739607010812523
Energy: 1.1690298360445532
Energy: 1.18870660769311
Energy: 1.1690298360445532
Energy: 1.1887066076924697
Energy: 1.1690298360439129
Energy: 1.1887066076937507
Energy: 1.2081782186607815
Energy: 1.1224562201284967
Energy: 1.2081782186620622
Energy: 1.122456220127856
Energy: 1.2081782186620622
Energy: 1.1224562201284967
Energy: 1.1203544373356569
Energy: 1.1995448549578
Energy: 1.1203544373356569
Energy: 1.1995448549578
Energy: 1.1203544373369376
Energy: 1.1995448549578
Energy: 1.098839109916274
Energy: 1.217791099693458
Energy: 1.098839109916274
Energy: 1.2177910996915366
Energy: 1.098839109914993
Energy: 1.2177910996915366
Energy: 1.2480565212026073
Energy: 1.101933228019344
Energy: 1.2480565212026073
Energy: 1.101933228019344
Energy: 1.2480565212019668
Energy: 1.101933228019344
Energy: 1.189890378044462
Energy: 1.154598173275913
Energy: 1.189890378044462
Energy: 1.154598173275913
Energy: 1.1898903780457428
Energy: 1.1545981732752726
Energy: 1.1565915751815057
Energy: 1.2180399828295398
Energy: 1.1565915751815057
Energy: 1.2180399828295398
Energy: 1.1565915751802247
Energy: 1.2180399828301804
Energy: 1.2088125656724087
Energy: 1.1008680450853547
Energy: 1.208812565671768
Energy: 1.1008680450847144
Energy: 1.2088125656724087
Energy: 1.1008680450847144
Energy: 1.1473792308184299
Energy: 1.1168610976192639
Energy: 1.1473792308184299
Energy: 1.1168610976186233
Energy: 1.1473792308203512
Energy: 1.1168610976186233
Energy: 1.1018527278469115
Energy: 1.2186270000974602
Energy: 1.1018527278469115
Energy: 1.2186270000961792
Energy: 1.1018527278462709
Energy: 1.2186270000968198
Energy: 1.1907640820029464
Energy: 1.1222344647843652
Energy: 1.190764082001695
Energy: 1.1222344647837246
Energy: 1.1907640820010543
Energy: 1.1222344647837246
Energy: 1.200479382256954
Energy: 1.122724280969892
Energy: 1.2004793822563133
Energy: 1.122724280969892
Energy: 1.200479382256954
Energy: 1.122724280969892

minimum gb energy = 1.0956450849680643 eV
minimum distance =  2.24371831712191 Angstroms
sigma value = 101


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

Energy: 1.1753629743321221
Energy: 1.2402283021372806
Energy: 1.0900976865853533
Energy: 1.2402283021434737
Energy: 1.1753629743315588
Energy: 1.2402283021429106
Energy: 1.187449365049347
Energy: 1.1189978394965854
Energy: 1.1318461902517838
Energy: 1.1189978394982742
Energy: 1.1874493650499103
Energy: 1.1189978394965854
Energy: 1.1201857104496344
Energy: 1.0516336331567018
Energy: 1.1201857104518866
Energy: 1.0516336331510718
Energy: 1.1201857104518866
Energy: 1.051633633150509
Energy: 1.0589224708964973
Energy: 1.1943858425664475
Energy: 1.0589473806686054
Energy: 1.1943858425686997
Energy: 1.0589224708981861
Energy: 1.1943858425681364
Energy: 1.0866255240244391
Energy: 1.101496594226671
Energy: 1.0866255240216243
Energy: 1.1014965942283599
Energy: 1.0866255240238765
Energy: 1.1014965942272337
Energy: 1.171321382100212
Energy: 1.0722100691340652
Energy: 1.171321382100775
Energy: 1.072210069139132
Energy: 1.171321382103027
Energy: 1.0722100691396952
Energy: 1.0882215884898694
Energy: 1.1818583463915955
Energy: 1.0882215884876174
Energy: 1.1818583463927215
Energy: 1.0882215884887434
Energy: 1.1818583463921586
Energy: 1.0438785172351595
Energy: 1.164418892926035
Energy: 1.0438785172334706
Energy: 1.16441889292322
Energy: 1.0438785172357223
Energy: 1.164418892923783
Energy: 1.2119491535948625
Energy: 1.0706895311118032
Energy: 1.2118923698279298
Energy: 1.0706895311078624
Energy: 1.2119491535926106
Energy: 1.0706895311089883
Energy: 1.1228863734128631
Energy: 1.1797247818555947
Energy: 1.1228863734111738
Energy: 1.1797247818567207
Energy: 1.122886373410611
Energy: 1.1797247818567207
Energy: 1.0603984863801739
Energy: 1.3293017395191795
Energy: 1.060398486378485
Energy: 1.3293017395197424
Energy: 1.060398486377359
Energy: 1.3293017395208684
Energy: 1.199519793485184
Energy: 1.0919501766596418
Energy: 1.199519793484621
Energy: 1.0919501766579527
Energy: 1.1995197934857469
Energy: 1.0919501766585158
Energy: 1.1632040408699398
Energy: 1.0516307380065189
Energy: 1.1632040408654358
Energy: 1.051630738005956
Energy: 1.1632040408659985
Energy: 1.0516307380053929
Energy: 1.096651402221111
Energy: 1.233616531321347
Energy: 1.096651402223926
Energy: 1.2336165313230363
Energy: 1.0966514022256149
Energy: 1.23361653132191
Energy: 1.1267100315924294
Energy: 1.0791753491465335
Energy: 1.1267100315896141
Energy: 1.0791753491448446
Energy: 1.1267100315901772
Energy: 1.0791753491459704
Energy: 1.119340968840876
Energy: 1.051932719116688
Energy: 1.119340968843128
Energy: 1.051932719119503
Energy: 1.119340968842002
Energy: 1.05193271911894
Energy: 1.0601206748224563
Energy: 1.1923337274752361
Energy: 1.0601263336496056
Energy: 1.1923337274735983
Energy: 1.060120674818515
Energy: 1.1923337274735983
Energy: 1.0619693986798366
Energy: 1.123809273249059
Energy: 1.0619641318006
Energy: 1.123809273248496
Energy: 1.0619693986820888
Energy: 1.123809273247933
Energy: 1.2074636350510397
Energy: 1.0707861795021465
Energy: 1.2074636350516026
Energy: 1.0707861794998943
Energy: 1.2074636350538548
Energy: 1.0707861794998943
Energy: 1.063972234047342
Energy: 1.1836850136139088
Energy: 1.0639722340456532
Energy: 1.1836850136133457
Energy: 1.0639722340479052
Energy: 1.1836850136127828
Energy: 1.0451344256487882
Energy: 1.2990458051991705
Energy: 1.0451344256493513
Energy: 1.2990458051997333
Energy: 1.0451344256504775
Energy: 1.2990458051957923
Energy: 1.2345956014561745
Energy: 1.0720706460136438
Energy: 1.2345956014573005
Energy: 1.0720706460181475
Energy: 1.2345956014539226
Energy: 1.0720706460170215
Energy: 1.1705693422887415
Energy: 1.0731703308578144
Energy: 1.1705693422876156
Energy: 1.0731703308578144
Energy: 1.1705693422909935
Energy: 1.0731703308578144
Energy: 1.0589312755335354
Energy: 1.2185621930617978
Energy: 1.0589312755335354
Energy: 1.2185621930550417
Energy: 1.0589312755346616
Energy: 1.218562193053353
Energy: 1.1997913502909843
Energy: 1.0786868682829027
Energy: 1.1997913502932362
Energy: 1.0786868682789619
Energy: 1.1997913502937991
Energy: 1.0786868682789619
Energy: 1.1876908251379064
Energy: 1.0521440157867112
Energy: 1.1653251273684198
Energy: 1.0521440157872743
Energy: 1.1876908251401581
Energy: 1.0521440157872743
Energy: 1.1761261493231159
Energy: 1.2078956325932477
Energy: 1.0904464186334448
Energy: 1.2078956325971886
Energy: 1.176126149319738
Energy: 1.2078956325971886
Energy: 1.2011775380067233
Energy: 1.1425947008380668
Energy: 1.0908888319661043
Energy: 1.142594700836378
Energy: 1.2011775380033451
Energy: 1.142594700837504
Energy: 1.2323687521693918
Energy: 1.0514481399341264
Energy: 1.2323687521699547
Energy: 1.0514481399358153
Energy: 1.2323687521705178
Energy: 1.0514481399358153
Energy: 1.0612674422298618
Energy: 1.1644745507409782
Energy: 1.0611654603930307
Energy: 1.1644745507409782
Energy: 1.061267442229299
Energy: 1.1644745507392895
Energy: 1.060099006931009
Energy: 1.2220818282812076
Energy: 1.0600940952762066
Energy: 1.2220818282727628
Energy: 1.060099006939454
Energy: 1.2220818282727628
Energy: 1.1827972226114534
Energy: 1.0722024060639455
Energy: 1.1827972226114534
Energy: 1.0722024060701383
Energy: 1.1827972226131422
Energy: 1.0722024060695752
Energy: 1.1793107025522638
Energy: 1.0731219870370385
Energy: 1.179310702550575
Energy: 1.0731219870409798
Energy: 1.1793107025539524
Energy: 1.0731219870409798

minimum gb energy = 1.0438785172334706 eV
minimum distance =  2.22944681484976 Angstroms
sigma value = 33


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

Energy: 0.7283522562080054
Energy: 1.3693071801647902
Energy: 0.020537704584405545
Energy: 1.3693071801652583
Energy: 0.7283522562075376
Energy: 1.3693071801647902
Energy: 0.7285375995378708
Energy: 0.41453496073806284
Energy: 0.021248945799326888
Energy: 0.4145349607375951
Energy: 0.7285375995388063
Energy: 0.4145349607371274
Energy: 2.3006981466358476
Energy: 0.41501078085610815
Energy: 1.829011797201478
Energy: 0.41501078085610815
Energy: 2.3006981466367833
Energy: 0.41501078085517257
Energy: 0.7285375995355838
Energy: 0.41453496073577595
Energy: 0.021248945797975545
Energy: 0.4145349607371274
Energy: 0.7285375995369872
Energy: 0.4145349607371274

minimum gb energy = 0.020537704584405545 eV
minimum distance =  2.48291194078895 Angstroms
sigma value = 1