Model name: model_name=EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.870000079274177
cohesive_energy=4.280336473607806
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: -1e-07 eV

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

Energy: 0.013125724101683308
Energy: 0.013469740558625137
Energy: 2.6660560295813753
Energy: 0.013469740558625137
Energy: 0.013469740558625137
Energy: 0.013810770513612325
Energy: 0.5674789708983192
Energy: 0.013810770513612325
Energy: 2.6660560295813753
Energy: 0.5674789708983192
Energy: 0.5673147203715321
Energy: 0.5674789708983192
Energy: 0.013469740558625137
Energy: 0.013810770513612325
Energy: 0.5674789708983192
Energy: 0.013810770513612325

minimum gb energy = 0.013125724101683308 eV
minimum distance =  2.48212508777887 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.47657456637675
Energy: 1.713689763630663
Energy: 0.9748986812371171
Energy: 1.7136897636318698
Energy: 1.5492137077063568
Energy: 0.9347081039259532
Energy: 0.9882834062452426
Energy: 0.9347081039259532
Energy: 1.6881735569997471
Energy: 0.986827586841597
Energy: 0.9636975241412074
Energy: 0.986827586841597
Energy: 1.36933177474925
Energy: 0.9347358973699538
Energy: 1.0335492969120872
Energy: 0.9347358973723674
Energy: 1.3665968753676492
Energy: 0.9348125282512931
Energy: 1.4276957609527887
Energy: 0.9348125282524998
Energy: 1.5746484192949926
Energy: 0.943196848716804
Energy: 0.942858485535785
Energy: 0.943196848716804
Energy: 1.1691062965414862
Energy: 1.0103446782655319
Energy: 0.9427980168793797
Energy: 1.010344678264325
Energy: 0.9361562586220793
Energy: 0.9421293946179351
Energy: 1.4274747100760594
Energy: 0.9421293946167283
Energy: 1.1788505888835061
Energy: 0.9425132420127688
Energy: 1.3768245054202028
Energy: 0.9425132420127688
Energy: 1.6364284444335928
Energy: 0.9428949886651259
Energy: 1.2040522157845495
Energy: 0.9428949886651259
Energy: 0.9601935125531663
Energy: 1.0025665968367485
Energy: 1.3782740424366118
Energy: 1.002566596835542
Energy: 0.9604972991903757
Energy: 0.960259607509733
Energy: 2.0241039608952263
Energy: 0.9602596075109399
Energy: 1.197913376414257
Energy: 1.00213741424173
Energy: 1.3638335019793204
Energy: 1.0021374142381096
Energy: 0.986917136051502
Energy: 1.0019469843262874
Energy: 1.364023193849391
Energy: 1.0019469843250806
Energy: 0.9859023392414131
Energy: 0.9423080646040309
Energy: 1.5577235106550276
Energy: 0.9423080646040309
Energy: 0.9856813128214653
Energy: 0.942338052719067
Energy: 1.5578728827084598
Energy: 0.942338052719067
Energy: 0.9859701391387876
Energy: 0.9347014294898609
Energy: 1.4848676007820771
Energy: 0.9347014294910677
Energy: 1.1970915478517965
Energy: 1.0023013497493771
Energy: 1.3624134768801954
Energy: 1.0023013497493771
Energy: 0.9517392534545424
Energy: 0.9603025911744125
Energy: 2.043149448507987
Energy: 0.9603025911744125
Energy: 0.9603683679352092
Energy: 1.002539414824414
Energy: 1.1692455732290932
Energy: 1.0025394148220006
Energy: 1.63660889860091
Energy: 0.94292962632689
Energy: 1.2075840589265885
Energy: 0.9429296263280968
Energy: 1.1787531727418405
Energy: 0.9348097279484983
Energy: 1.3767988907455488
Energy: 0.9348097279496503
Energy: 1.2231019966656993
Energy: 0.9421632579941808
Energy: 1.187256384238046
Energy: 0.9421632579941808
Energy: 1.3972879771055349
Energy: 1.010057868833738
Energy: 0.9428745387857447
Energy: 1.010057868832531
Energy: 1.5747097862666994
Energy: 0.9431735542761085
Energy: 0.9429882629426946
Energy: 0.9431735542785221
Energy: 1.3673086311567517
Energy: 0.9351453193367134
Energy: 1.4265804584612443
Energy: 0.9351453193367134
Energy: 1.3667402778917128
Energy: 0.934686684579227
Energy: 0.9875418391326048
Energy: 0.9346866845804339
Energy: 1.8034877279997354
Energy: 0.9869591543177897
Energy: 0.9645228165474338
Energy: 0.9869591543189965
Energy: 1.5500444530688338
Energy: 0.9346245268184783
Energy: 0.9888123829995845
Energy: 0.9346245268196852
Energy: 1.4775896093197773
Energy: 0.9349198280949387
Energy: 0.9870128681505219
Energy: 0.9349198280937318
Energy: 1.5506043870340105
Energy: 0.9343584535319029
Energy: 1.0205230495653144
Energy: 0.9343584535306962
Energy: 1.5747192329574902
Energy: 0.9596834967425616
Energy: 0.9644168550785103
Energy: 0.9596834967425616
Energy: 1.3667663706628794
Energy: 0.9347106921512812
Energy: 1.0292909658464762
Energy: 0.9347106921488675

minimum gb energy = 0.9343584535306962 eV
minimum distance =  2.38504757631422 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.6260493840266392
Energy: 1.5869333103392727
Energy: 1.046583825380737
Energy: 1.5869333103392727
Energy: 1.446615222605442
Energy: 1.0445674616584966
Energy: 1.0964856580000824
Energy: 1.0445674616584966
Energy: 1.4883163379079496
Energy: 1.023631382394093
Energy: 1.0240551247081362
Energy: 1.023631382394093
Energy: 0.9677596302761947
Energy: 1.0043034518472134
Energy: 1.0914072351474098
Energy: 1.0043034518692298
Energy: 0.9679348512299526
Energy: 1.0017462750713784
Energy: 1.585626397370416
Energy: 1.0017462750713784
Energy: 1.488411381840314
Energy: 1.0020534368730338
Energy: 1.002131116209944
Energy: 1.0020534368730338
Energy: 1.0261255382027712
Energy: 1.0455799145691316
Energy: 1.0020961781547335
Energy: 1.0455799145691316
Energy: 1.002116168444113
Energy: 1.0020802240350275
Energy: 1.5861025047567319
Energy: 1.0020802240350275
Energy: 1.0260226562708117
Energy: 1.0444619282931529
Energy: 1.4902384794224588
Energy: 1.0444619282931529
Energy: 1.0914936092026932
Energy: 0.9678238227056891
Energy: 0.9681157866216042
Energy: 0.9678238227056891
Energy: 1.0031451626112446
Energy: 1.0796544117195925
Energy: 1.4911903288611794
Energy: 1.0796544117182163
Energy: 1.003100223645609
Energy: 1.0018719992802945
Energy: 1.9474856509053977
Energy: 1.0018719992802945
Energy: 1.0921282839825548
Energy: 0.9678610345422249
Energy: 1.445128960922821
Energy: 0.9678610345422249
Energy: 1.092128283983931
Energy: 0.9678065031934975
Energy: 1.4452475840580814
Energy: 0.9678065031934975
Energy: 1.003113988463104
Energy: 1.0018458090012672
Energy: 1.9475180785783515
Energy: 1.0018458090012672
Energy: 1.0029998288322237
Energy: 1.0796012143173408
Energy: 1.4912439156354131
Energy: 1.0796012143173408
Energy: 1.0914936092026932
Energy: 0.967817604493227
Energy: 0.9681114897193583
Energy: 0.967817604493227
Energy: 1.0259618544591302
Energy: 1.0443502239661877
Energy: 1.4902632042877189
Energy: 1.0443502239661877
Energy: 1.0021146197670723
Energy: 1.0020857136730343
Energy: 1.5861025047567319
Energy: 1.0020857136730343
Energy: 1.0264843027207495
Energy: 1.04505606952265
Energy: 1.0020966543976682
Energy: 1.045056069524026
Energy: 1.4884215137833636
Energy: 1.0019847884103952
Energy: 1.002126760478665
Energy: 1.0019847884103952
Energy: 0.9677938791088625
Energy: 1.001743865710333
Energy: 1.58562639736904
Energy: 1.001743865710333
Energy: 0.9677528696264192
Energy: 1.0021642676860907
Energy: 1.0914072351474098
Energy: 1.002164267684715
Energy: 1.4883644072017483
Energy: 1.0237946643856828
Energy: 1.0240349817330199
Energy: 1.0237946643856828
Energy: 1.4465898184246841
Energy: 1.044563328673641
Energy: 1.0964856580000824
Energy: 1.044563328673641
Energy: 1.6260493840266392
Energy: 1.5869333103392727
Energy: 1.0465838162301286
Energy: 1.5869333103406489
Energy: 1.446615222605442
Energy: 1.0445674616584966
Energy: 1.0964856580000824
Energy: 1.0445674616584966
Energy: 1.4883163379079496
Energy: 1.023631382394093
Energy: 1.0240551247081362
Energy: 1.023631382394093
Energy: 0.9677596302761947
Energy: 1.0043034518678537
Energy: 1.0914072351487858
Energy: 1.0043034518458374

minimum gb energy = 0.9677528696264192 eV
minimum distance =  2.37250549886139 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.4028648703762805
Energy: 1.7402964608618017
Energy: 1.1166516238613295
Energy: 1.7402964608618017
Energy: 1.5692372019811507
Energy: 1.055073818695178
Energy: 1.1464563348021732
Energy: 1.0550738186935784
Energy: 1.6186055851512098
Energy: 1.0943356859525866
Energy: 1.0943766872027154
Energy: 1.0943356859525866
Energy: 1.3644773339158422
Energy: 1.0521097008485287
Energy: 1.1472553914348833
Energy: 1.0521097008485287
Energy: 1.3632562520973701
Energy: 1.0519966476126137
Energy: 1.3784468793003066
Energy: 1.0519966476126137
Energy: 1.618765564366203
Energy: 1.054994907514946
Energy: 1.0548849366852155
Energy: 1.054994907514946
Energy: 1.0898465660893535
Energy: 1.051790207383249
Energy: 1.0549727202004453
Energy: 1.051790207383249
Energy: 1.0614293675305617
Energy: 1.0894987164903327
Energy: 1.6706646441814716
Energy: 1.089498716488733
Energy: 1.1507643743424698
Energy: 1.1423468619804538
Energy: 1.3465843768652848
Energy: 1.1423468619788546
Energy: 1.141769041187862
Energy: 1.0388647439400789
Energy: 1.414682246417206
Energy: 1.0388647439400789
Energy: 1.1425218863186026
Energy: 1.1431521428240916
Energy: 1.5909898831714788
Energy: 1.1431521428240916
Energy: 1.1227902310550546
Energy: 1.0898423113950604
Energy: 1.5902754667031396
Energy: 1.0898423113934605
Energy: 1.1420703959944885
Energy: 1.038848777998464
Energy: 1.3468510361357895
Energy: 1.038848777998464
Energy: 1.145127754852496
Energy: 1.142371701699245
Energy: 1.3464903310473655
Energy: 1.1423717016976456
Energy: 1.0699206200415345
Energy: 1.0896046794037404
Energy: 1.937960883571603
Energy: 1.0896046794037404
Energy: 1.0895945422053532
Energy: 1.0517587536939055
Energy: 1.055076531394926
Energy: 1.051758753695505
Energy: 1.9633256573941253
Energy: 1.0549748132835286
Energy: 1.0548744054246257
Energy: 1.0549748132835286
Energy: 1.3631047801636087
Energy: 1.0518738297323869
Energy: 1.3788049754532707
Energy: 1.0518738297323869
Energy: 1.3633457092175478
Energy: 1.0519445894723698
Energy: 1.1485711630213475
Energy: 1.0519445894723698
Energy: 1.3419601661878622
Energy: 1.0552425731737602
Energy: 1.0954257110876489
Energy: 1.0552425731737602
Energy: 1.5706190947023364
Energy: 1.054868217912869
Energy: 1.1108139267249255
Energy: 1.054868217912869
Energy: 1.4044153516615752
Energy: 1.0390694412496604
Energy: 1.1464249136772706
Energy: 1.0390694412496604
Energy: 1.5717656627543364
Energy: 1.1283597938222232
Energy: 1.1462848459094048
Energy: 1.1283597938206236
Energy: 1.6242891306010665
Energy: 1.1107164839686006
Energy: 1.1111154778855892
Energy: 1.1107164839686006
Energy: 1.3635323141481908
Energy: 1.0518119988367323
Energy: 1.0858933517962004
Energy: 1.0518119988367323

minimum gb energy = 1.038848777998464 eV
minimum distance =  2.38622757477037 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.0674364624916413
Energy: 1.066863534438354
Energy: 1.2396460330194965
Energy: 1.0668635344385489
Energy: 1.0670742983351744
Energy: 1.1359879876736467
Energy: 1.1358713177436521
Energy: 1.1359879876734513
Energy: 1.1876995936320005
Energy: 1.187908545915316
Energy: 1.1881588475213056
Energy: 1.187908545915316
Energy: 1.1359764229735456
Energy: 1.1359186824476297
Energy: 1.1359397297857725
Energy: 1.1359186824476297
Energy: 1.1361756788985298
Energy: 1.136486395102427
Energy: 1.1877047700329513
Energy: 1.136486395102427
Energy: 1.9709354167684618
Energy: 1.1358982312918056
Energy: 1.1359255233470722
Energy: 1.1358982312920007
Energy: 1.1375107470001504
Energy: 1.1365053296907455
Energy: 1.136010722087398
Energy: 1.1365053296903767
Energy: 1.1361104229666106
Energy: 1.136913235036369
Energy: 1.746717383233956
Energy: 1.1369132350361957
Energy: 1.3569912920912504
Energy: 1.1363586082989174
Energy: 1.0669388075146908
Energy: 1.1363586082991126
Energy: 1.3575783335008547
Energy: 1.0669698209462048
Energy: 1.067124714088987
Energy: 1.0669698209463783
Energy: 1.1368493898232865
Energy: 1.2421751934120786
Energy: 1.7475487619661303
Energy: 1.2421751934120786
Energy: 1.1364389024838
Energy: 1.066831261226115
Energy: 1.1877975076322829
Energy: 1.0668312612265054
Energy: 1.3568418985669848
Energy: 1.1358420537450034
Energy: 1.136725907973604
Energy: 1.1358420537448082
Energy: 1.1877877506126935
Energy: 1.1700014437238626
Energy: 1.187750944545752
Energy: 1.1700014437236674
Energy: 1.136728932072556
Energy: 1.1358609070910093
Energy: 1.3568418985666162
Energy: 1.1358609070910093
Energy: 1.187741478421373
Energy: 1.0668598069427504
Energy: 1.1359461801831408
Energy: 1.0668598069427504
Energy: 1.7475652049912016
Energy: 1.2415581973677352
Energy: 1.136930067967831
Energy: 1.2415581973681256
Energy: 1.0670203098644895
Energy: 1.0669141288744302
Energy: 1.3575783335006595
Energy: 1.0669141288744302
Energy: 1.0669225550510513
Energy: 1.1361956436557794
Energy: 1.3569912920912504
Energy: 1.1361956436557794
Energy: 1.7468436286963103
Energy: 1.136907787954736
Energy: 1.1361149024986208
Energy: 1.1369077879545408
Energy: 1.135985447500568
Energy: 1.1365236298965082
Energy: 1.1372398919512559
Energy: 1.1365236298965082

minimum gb energy = 1.066831261226115 eV
minimum distance =  2.3583100893764 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.1880046498285137
Energy: 1.7415584859578224
Energy: 1.3088946679044153
Energy: 1.7415584859568836
Energy: 1.6381931589935617
Energy: 1.284968934306555
Energy: 1.268214085056709
Energy: 1.2849689343060722
Energy: 1.3253728799834115
Energy: 1.2620101320660804
Energy: 1.2690855271600965
Energy: 1.262010132065839
Energy: 1.2110861885497226
Energy: 1.2627812550620456
Energy: 1.2488596482439354
Energy: 1.2627812550615631
Energy: 1.263133790801584
Energy: 1.2855303234213233
Energy: 1.682370481120659
Energy: 1.285530323421806
Energy: 1.7036633346301921
Energy: 1.2010887618487855
Energy: 1.200911232968871
Energy: 1.2010887618487855
Energy: 1.326454921654188
Energy: 1.263509539505037
Energy: 1.2013714340536676
Energy: 1.2635095395048221
Energy: 1.3869165623288136
Energy: 1.356532007712183
Energy: 1.6940569459445205
Energy: 1.3565320077112446
Energy: 1.3566343085958894
Energy: 1.2012566232818134
Energy: 1.2009165374685205
Energy: 1.2012566232806332
Energy: 1.3253221021315904
Energy: 1.2012235933771918
Energy: 1.2010992812635264
Energy: 1.2012235933774331
Energy: 1.2326610436612482
Energy: 1.2627444280406868
Energy: 1.616065138520756
Energy: 1.2627444280409281
Energy: 1.262735100686146
Energy: 1.201591261986737
Energy: 1.2618444058124227
Energy: 1.201591261987193
Energy: 1.5479514802851704
Energy: 1.2619918760879836
Energy: 1.2628718353030306
Energy: 1.2619918760886808
Energy: 1.6334797106866963
Energy: 1.2867387131500185
Energy: 1.3754901338764658
Energy: 1.2867387131490797
Energy: 1.6331427354689625
Energy: 1.2852704702000335
Energy: 1.3754065457207765
Energy: 1.2852704702002746
Energy: 1.5914756185526158
Energy: 1.2238107962809104
Energy: 1.2619774684526277
Energy: 1.2238107962820903
Energy: 1.2631493612014324
Energy: 1.2009513021402087
Energy: 1.2630228334441806
Energy: 1.2009513021394846

minimum gb energy = 1.1880046498285137 eV
minimum distance =  2.34995711437754 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.5523128301767115
Energy: 1.539984108495709
Energy: 1.3255889571369028
Energy: 1.539984108495709
Energy: 1.476884967774869
Energy: 1.2957719933070435
Energy: 1.2905541333569113
Energy: 1.2957719933070435
Energy: 1.3112731048861033
Energy: 1.2863357530838946
Energy: 1.2776078456408864
Energy: 1.286335753085231
Energy: 1.249099188241885
Energy: 1.2511530275513691
Energy: 1.2899524326585632
Energy: 1.2511530275513691
Energy: 1.2519758532475496
Energy: 1.2961709199163822
Energy: 1.481740474284622
Energy: 1.2961709199150457
Energy: 1.5197963938440806
Energy: 1.2275666727537426
Energy: 1.2348502536821802
Energy: 1.2275666727524062
Energy: 1.4387239589412233
Energy: 1.2480215497185512
Energy: 1.4835082588871915
Energy: 1.248021549717215
Energy: 1.3136951488668314
Energy: 1.2509051339766715
Energy: 1.542322674560494
Energy: 1.2509051339766715
Energy: 1.2810738071321945
Energy: 1.2712055186592384
Energy: 1.2300306902045104
Energy: 1.2712055186592384
Energy: 1.5131476495269354
Energy: 1.3141724353161828
Energy: 1.2713406948998165
Energy: 1.3141724353161828
Energy: 1.2457022249114946
Energy: 1.245444316837537
Energy: 1.5012129381503152
Energy: 1.2454443168362004
Energy: 1.2455579532559955
Energy: 1.2717800588680248
Energy: 1.3697533065323664
Energy: 1.2717800588680248
Energy: 1.5128398805578092
Energy: 1.3323449274023402
Energy: 1.290589936782228
Energy: 1.3323449274010037
Energy: 1.2456275156415513
Energy: 1.2456750632049183
Energy: 1.3372640845980006
Energy: 1.2456750632049183
Energy: 1.2455377287392444
Energy: 1.339510129508202
Energy: 1.5253428179579474
Energy: 1.3395101295095384
Energy: 1.562589547762247
Energy: 1.2712007610598155
Energy: 1.2292300236376414
Energy: 1.271200761058479
Energy: 1.3050724385732508
Energy: 1.3409065295890787
Energy: 1.2713172769370236
Energy: 1.3409065295890787
Energy: 1.2830684202723237
Energy: 1.3411924662812242
Energy: 1.5096973546185
Energy: 1.3411924662812242
Energy: 1.3770991054049786
Energy: 1.2277753870268742
Energy: 1.3572959428293527
Energy: 1.2277753870255375
Energy: 1.5114078589542967
Energy: 1.3156806658704758
Energy: 1.4660743557963156
Energy: 1.3156806658718123
Energy: 1.250868613938656
Energy: 1.3106484042869142
Energy: 1.5328891512295029
Energy: 1.3106484042869142
Energy: 1.250742118961282
Energy: 1.272672047192567
Energy: 1.2866480920322003
Energy: 1.272672047192567
Energy: 1.5353475557467293
Energy: 1.2863496696585224
Energy: 1.2864788242948417
Energy: 1.2863496696598589
Energy: 1.487571362939061
Energy: 1.2290627165111343
Energy: 1.3642439615045434
Energy: 1.229062716509798
Energy: 1.4871942184751912
Energy: 1.228026768955397
Energy: 1.36424489388528
Energy: 1.2280267689540605
Energy: 1.528842604280758
Energy: 1.2904939522645633
Energy: 1.2861391128148545
Energy: 1.2904939522618906
Energy: 1.2511204638403004
Energy: 1.2715756196262857
Energy: 1.2871088589163937
Energy: 1.2715756196276224
Energy: 1.2514840788529444
Energy: 1.2507209742032903
Energy: 1.5684186796969095
Energy: 1.2507209742032903
Energy: 1.3112439509541847
Energy: 1.313388489276645
Energy: 1.466804564842254
Energy: 1.3133884892753085
Energy: 1.3451121815366027
Energy: 1.2277253817257723
Energy: 1.2332630497743955
Energy: 1.2277253817271088

minimum gb energy = 1.2275666727524062 eV
minimum distance =  2.36442137449202 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.6886318063369101
Energy: 1.6528828308462735
Energy: 1.4735890686908384
Energy: 1.6528828308462735
Energy: 1.5812125543618871
Energy: 1.329923820551022
Energy: 1.3126438534923006
Energy: 1.3299238205507071
Energy: 1.3125001431381667
Energy: 1.3564982643944652
Energy: 1.427705956599362
Energy: 1.3564982643950942
Energy: 1.427351277103462
Energy: 1.3126958285988226
Energy: 1.31496389759558
Energy: 1.3126958285997665
Energy: 1.3298560990743196
Energy: 1.2286592644199534
Energy: 1.3719175949057716
Energy: 1.2286592644196386
Energy: 2.101988854689385
Energy: 1.2283075401243118
Energy: 1.229623542609405
Energy: 1.228307540124032
Energy: 1.329871654588312
Energy: 1.2287273663464626
Energy: 1.2283770738612112
Energy: 1.2287273663461478
Energy: 1.4275712892228405
Energy: 1.356599398726772
Energy: 1.3125001431384813
Energy: 1.3565993987270868
Energy: 1.3138022938752303
Energy: 1.3126958285988226
Energy: 1.4273512771028327
Energy: 1.3126958285988226
Energy: 1.673017616152293
Energy: 1.3294995084128365
Energy: 1.3298560990746342
Energy: 1.3294995084116126
Energy: 1.6886318063372248
Energy: 1.6528828308459937
Energy: 1.473589103862707
Energy: 1.6528828308453642
Energy: 1.581212554362202
Energy: 1.3299238205503925
Energy: 1.3126438534928948
Energy: 1.329923820551022
Energy: 1.3125001431384813
Energy: 1.3564982643944652
Energy: 1.4277059565990473
Energy: 1.3564982643947796

minimum gb energy = 1.228307540124032 eV
minimum distance =  2.3344065245696 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.4187494280350406
Energy: 1.4329260188957753
Energy: 1.503610769336346
Energy: 1.4329260188957753
Energy: 1.6641844398806611
Energy: 1.35379504057447
Energy: 1.4589676838873116
Energy: 1.35379504057447
Energy: 1.395488427737076
Energy: 1.3179621628432023
Energy: 1.318681344480483
Energy: 1.3179621628454798
Energy: 1.3520893168784944
Energy: 1.3463373317279002
Energy: 1.4401120321465564
Energy: 1.3463373317279002
Energy: 1.4352766358164615
Energy: 1.3003549553611982
Energy: 1.679015556329749
Energy: 1.3003549553600593
Energy: 1.6301186668865586
Energy: 1.4085273612994147
Energy: 1.4120199618634663
Energy: 1.4085273612982758
Energy: 1.3166915922880713
Energy: 1.3534126976037903
Energy: 1.7374016234944536
Energy: 1.3534126976026517
Energy: 1.3005639513658556
Energy: 1.3129226262746787
Energy: 1.4101114819951654
Energy: 1.3129226262735398
Energy: 1.3162451539587916
Energy: 1.3579842662040305
Energy: 1.379685558573711
Energy: 1.357984266205169
Energy: 1.4261149124209436
Energy: 1.3183795780494607
Energy: 1.4674301551457432
Energy: 1.3183795780494607
Energy: 1.279444562903098
Energy: 1.42129207856529
Energy: 1.6644226499376547
Energy: 1.42129207856529
Energy: 1.7837252517481363
Energy: 1.3653994871543738
Energy: 1.2907942450271106
Energy: 1.365399487152096
Energy: 1.4082955959597983
Energy: 1.2897540912585723
Energy: 1.2929569315444778
Energy: 1.2897540912574335
Energy: 1.449629928284921
Energy: 1.4281945523712818
Energy: 1.452365004631001
Energy: 1.428194552370143
Energy: 1.4381751729100172
Energy: 1.3134789961761404
Energy: 1.2902354658160886
Energy: 1.3134789961772793
Energy: 1.6987770919965761
Energy: 1.2898276939776823
Energy: 1.2959157099680187
Energy: 1.2898276939765436
Energy: 1.4261444605281854
Energy: 1.290436806013855
Energy: 1.7903479484183302
Energy: 1.2904368060115774
Energy: 1.2809704504959574
Energy: 1.4212799977048118
Energy: 1.4628460660634695
Energy: 1.4212799977048118
Energy: 1.704964654453259
Energy: 1.3939038422578471
Energy: 1.4210265468582144
Energy: 1.393903842258986
Energy: 1.3132625946740897
Energy: 1.290514684948359
Energy: 1.3749458487555304
Energy: 1.290514684948359
Energy: 1.2997867085982107
Energy: 1.3130811923732286
Energy: 1.3839922140521266
Energy: 1.3130811923709511
Energy: 1.65338025907761
Energy: 1.3002090451230934
Energy: 1.410480823349958
Energy: 1.3002090451242323
Energy: 1.5550202783698532
Energy: 1.4237808014919169
Energy: 1.413253351257869
Energy: 1.4237808014930555
Energy: 1.399876059777597
Energy: 1.4371050578387798
Energy: 1.6220105611683286
Energy: 1.4371050578387798
Energy: 1.3506661521755943
Energy: 1.3133669062732534
Energy: 1.3183031879419027
Energy: 1.313366906272115
Energy: 1.5580719825490306
Energy: 1.3460027502930283
Energy: 1.3690269907464367
Energy: 1.3460027502930283
Energy: 1.5363274407473984
Energy: 1.2918955758107098
Energy: 1.6838856819110521
Energy: 1.2918955758129873
Energy: 1.4100471261527359
Energy: 1.2921434432840984
Energy: 1.6838452382566422
Energy: 1.292143443286376
Energy: 1.6070991016417717
Energy: 1.3461913048267447
Energy: 1.3816101367145148
Energy: 1.3461913048244671
Energy: 1.3630093795924962
Energy: 1.3145741105942208
Energy: 1.3178802279904545
Energy: 1.3145741105964985
Energy: 1.395816747429755
Energy: 1.4438095948436431
Energy: 1.6216217287864654
Energy: 1.443809594844782
Energy: 1.5551667164209155
Energy: 1.3009151768688836
Energy: 1.4161900385055848
Energy: 1.300915176866606
Energy: 1.7979027956030407
Energy: 1.3008983384112087
Energy: 1.4106138389968559
Energy: 1.3008983384134865
Energy: 1.3008983673832066
Energy: 1.3131467656231004
Energy: 1.6728779612084428
Energy: 1.3131467656219615
Energy: 1.3129903515080803
Energy: 1.2905468841749372
Energy: 1.3748320110696768
Energy: 1.2905468841715728

minimum gb energy = 1.279444562903098 eV
minimum distance =  2.32643204204528 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.4988676734970776
Energy: 1.436028875337198
Energy: 1.6120709348384346
Energy: 1.436028875337198
Energy: 1.4691357150629456
Energy: 1.3991095709795014
Energy: 1.4595851496660381
Energy: 1.3991095709791317
Energy: 1.4549680110402974
Energy: 1.3697256222659058
Energy: 1.326741132675151
Energy: 1.3697256222660905
Energy: 1.3807979448077596
Energy: 1.296701623956008
Energy: 1.4645888394787763
Energy: 1.2967016239567266
Energy: 1.5680615903118873
Energy: 1.2966834509613838
Energy: 1.511473824962947
Energy: 1.296683450961199
Energy: 1.8366610155184133
Energy: 1.467543083750964
Energy: 1.2622133260742623
Energy: 1.4675430837508
Energy: 1.2969192738205932
Energy: 1.3855923647335537
Energy: 1.5124850784284831
Energy: 1.385592364732835
Energy: 1.2966770260953848
Energy: 1.2966689552621689
Energy: 1.4722539682291178
Energy: 1.2966689552621689
Energy: 1.593415083106029
Energy: 1.370094699124649
Energy: 1.4871023099524283
Energy: 1.3700946991250187
Energy: 1.296748593449346
Energy: 1.3698896512821164
Energy: 1.4877487019749152
Energy: 1.3698896512821164
Energy: 1.296498457262209
Energy: 1.2968496077914884
Energy: 1.8134558647997123
Energy: 1.2968496077911391
Energy: 1.6897414588639494
Energy: 1.2969755234278817
Energy: 1.5114629644597564
Energy: 1.2969755234275122
Energy: 1.562376915223026
Energy: 1.4668845755976554
Energy: 1.2615620412485384
Energy: 1.4668845755969164
Energy: 1.4158528827378438
Energy: 1.469379630149691
Energy: 1.730012969542742
Energy: 1.469379630149691
Energy: 1.3804173512822704
Energy: 1.2970226627698682
Energy: 1.3380433096160678
Energy: 1.2970226627694985
Energy: 1.4799909158550273
Energy: 1.3699883838453413
Energy: 1.3266398755653734
Energy: 1.369988383844253
Energy: 1.4684935354097761
Energy: 1.2618596129399657
Energy: 1.824556780500051
Energy: 1.261859612939781
Energy: 1.4696682610290621
Energy: 1.2616896595311995
Energy: 1.8240584203160626
Energy: 1.2616896595311995
Energy: 1.678054145643757
Energy: 1.3700405724823437
Energy: 1.3382724368139254
Energy: 1.3700405724817895
Energy: 1.3802962894919895
Energy: 1.2972125603864113
Energy: 1.3267347699374659
Energy: 1.297212560386596
Energy: 1.4551123647660127
Energy: 1.5086370751157705
Energy: 1.7296836770057222
Energy: 1.5086370751159552
Energy: 1.5623445931714537
Energy: 1.2966198437752727
Energy: 1.2616264623307254
Energy: 1.2966198437756422

minimum gb energy = 1.2615620412485384 eV
minimum distance =  2.32754983841813 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.6051577910807453
Energy: 1.4748838092963856
Energy: 1.5807310147086358
Energy: 1.4748838092963856
Energy: 1.5506473286618747
Energy: 1.3828714573470122
Energy: 1.4004928676460944
Energy: 1.3828714573470122
Energy: 1.402425485405279
Energy: 1.3288874248228444
Energy: 1.331370769018731
Energy: 1.3288874248228444
Energy: 1.4273153239509024
Energy: 1.2648239396546452
Energy: 1.329048312272582
Energy: 1.2648239396546452
Energy: 1.5201629723463597
Energy: 1.3289213380510758
Energy: 1.2641472276031374
Energy: 1.3289213380510758
Energy: 1.936685661973685
Energy: 1.2645133073120576
Energy: 1.267271434035206
Energy: 1.2645133073120576
Energy: 1.349948909794701
Energy: 1.3983229696582158
Energy: 1.6258556678142646
Energy: 1.3983229696569381
Energy: 1.2672236974683773
Energy: 1.2645318661875176
Energy: 1.514010057400619
Energy: 1.2645318661875176
Energy: 1.625030555893848
Energy: 1.3296760954784308
Energy: 1.4034722244488713
Energy: 1.3296760954784308
Energy: 1.328712350114711
Energy: 1.2646706224715714
Energy: 1.4280294517333003
Energy: 1.2646706224715714
Energy: 1.3286818310198116
Energy: 1.32987814524058
Energy: 1.44863903551867
Energy: 1.32987814524058
Energy: 1.9034378077168919
Energy: 1.264544588780197
Energy: 1.5527649884646026
Energy: 1.264544588780197
Energy: 1.8891441335634658
Energy: 1.265335552270227
Energy: 1.5503168003758179
Energy: 1.2653355522689491
Energy: 1.3291015104024848
Energy: 1.3307260224713382
Energy: 1.7234826287994043
Energy: 1.3307260224713382
Energy: 1.328669463292723
Energy: 1.2655223792616943
Energy: 1.4215176983384514
Energy: 1.2655223792616943
Energy: 1.625165614535012
Energy: 1.4499454764555983
Energy: 1.401574515752693
Energy: 1.4499454764555983
Energy: 1.263887091671712
Energy: 1.2651582398841492
Energy: 1.514374982684642
Energy: 1.2651582398841492
Energy: 1.2642423205500743
Energy: 1.3292495071005719
Energy: 1.6275552883764268
Energy: 1.3292495071005719
Energy: 1.9305206346610215
Energy: 1.2649540328245865
Energy: 1.2640675160591641
Energy: 1.2649540328233089
Energy: 1.5144053624190486
Energy: 1.3292723063366787
Energy: 1.2639007084023315
Energy: 1.3292723063366787
Energy: 1.4218833928495387
Energy: 1.4007586287162752
Energy: 1.400711457841113
Energy: 1.4007586287162752
Energy: 1.4216901381002638
Energy: 1.3292906625412435
Energy: 1.3331008537415097
Energy: 1.3292906625399659
Energy: 1.5511481991074607
Energy: 1.3627190679077172
Energy: 1.4031531843089278
Energy: 1.3627190679089949
Energy: 1.5556388031129462
Energy: 1.4773633901611558
Energy: 1.888067025987618
Energy: 1.4773633901611558
Energy: 1.5499731325074309
Energy: 1.2642958753755908
Energy: 1.4237129169084546
Energy: 1.2642958753755908
Energy: 1.4482154896700723
Energy: 1.3290360190133588
Energy: 1.3331712310360324
Energy: 1.3290360190146366
Energy: 1.423661379650805
Energy: 1.2645497716324763
Energy: 1.3289515965205694
Energy: 1.2645497716324763
Energy: 1.5147300718002403
Energy: 1.3290907159901475
Energy: 1.62490163580502
Energy: 1.3290907159901475
Energy: 1.5140603357066427
Energy: 1.2638913265768728
Energy: 1.263974467813273
Energy: 1.2638913265768728
Energy: 1.6261298045796415
Energy: 1.452534890570566
Energy: 1.6261290006081874
Energy: 1.452534890570566
Energy: 1.2639868044355465
Energy: 1.2638921040497981
Energy: 1.5140603357066427
Energy: 1.2638921040485205

minimum gb energy = 1.263887091671712 eV
minimum distance =  2.35673087749294 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.1478644334471921
Energy: 1.2742419503127278
Energy: 1.6060272613418998
Energy: 1.2742419503127278
Energy: 1.6898781263087956
Energy: 1.2569096580402719
Energy: 1.2715836109681642
Energy: 1.2569096580407169
Energy: 1.545542065385514
Energy: 1.2338959424632945
Energy: 1.2356822180712146
Energy: 1.2338959424632945
Energy: 1.7682641200093079
Energy: 1.2749702495348683
Energy: 1.2338264821930305
Energy: 1.2749702495344233
Energy: 1.764640291566715
Energy: 1.2353987149028862
Energy: 1.2336685087679469
Energy: 1.2353987149046415
Energy: 1.5456261495042833
Energy: 1.235526053669469
Energy: 1.2336955168731032
Energy: 1.235526053669469
Energy: 1.3914553477162397
Energy: 1.2340604110052733
Energy: 2.077740740937229
Energy: 1.2340604110052733
Energy: 1.1476448530265784
Energy: 1.2362131189648426
Energy: 2.0793911810176438
Energy: 1.2362131189652878
Energy: 1.6897589933861867
Energy: 1.272044199500091
Energy: 1.2718753444716702
Energy: 1.272044199500091

minimum gb energy = 1.1476448530265784 eV
minimum distance =  2.39900986908643 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.4556119034606594
Energy: 1.320084345897377
Energy: 1.7489483017482153
Energy: 1.3200843458985836
Energy: 1.6647866579497335
Energy: 1.2679539657564753
Energy: 1.4299917038293488
Energy: 1.2679539657552688
Energy: 1.3349207657996789
Energy: 1.4124037640719262
Energy: 1.3593798902992003
Energy: 1.4124037640719262
Energy: 1.3350633259983753
Energy: 1.3648080175816917
Energy: 1.4741862511127803
Energy: 1.3648080175804846
Energy: 1.25947356297315
Energy: 1.3752526667532203
Energy: 1.3139996715464035
Energy: 1.3752526667520135
Energy: 1.451150281258957
Energy: 1.4104155997787275
Energy: 1.3187373661055324
Energy: 1.4104155997787275
Energy: 1.4498029476188776
Energy: 1.3570598720193578
Energy: 1.494060006920031
Energy: 1.357059872018151
Energy: 1.4512629360238185
Energy: 1.357415341861468
Energy: 1.5976340563900544
Energy: 1.357415341862675
Energy: 1.6425509877958364
Energy: 1.311057620829168
Energy: 1.4373864319487226
Energy: 1.3110576208315816
Energy: 1.6255497830397638
Energy: 1.3114431664890578
Energy: 1.4388303178860689
Energy: 1.3114431664902648
Energy: 1.3718625276518033
Energy: 1.3774034560355513
Energy: 1.3926443583101604
Energy: 1.3774034560343444
Energy: 1.370845024235818
Energy: 1.3771404473494084
Energy: 1.2935999245121428
Energy: 1.3771404473494084
Energy: 1.5114746987242988
Energy: 1.4104515309187085
Energy: 1.2914031715056038
Energy: 1.4104515309211223
Energy: 1.2960650679991579
Energy: 1.375809195660785
Energy: 1.2909270722070312
Energy: 1.3758091956619918
Energy: 1.330216589720269
Energy: 1.2974147413855086
Energy: 1.5825911038049771
Energy: 1.2974147413855086
Energy: 1.717150432921613
Energy: 1.3140173049649002
Energy: 1.4376713765040225
Energy: 1.3140173049636932
Energy: 1.6130695962097414
Energy: 1.3101794276092833
Energy: 1.6007429598070166
Energy: 1.3101794276104899
Energy: 1.3407552268585095
Energy: 1.3592734397345785
Energy: 1.6054507004931489
Energy: 1.3592734397345785
Energy: 1.4496302581746119
Energy: 1.3329272652785094
Energy: 1.3732659456388954
Energy: 1.3329272652785094
Energy: 1.3468463348008934
Energy: 1.389939269403898
Energy: 1.3166276310493534
Energy: 1.3899392694111392
Energy: 1.350381181847589
Energy: 1.3642615309385064
Energy: 1.4044022613932796
Energy: 1.3642615309385064
Energy: 1.4531689899099982
Energy: 1.375630496357644
Energy: 1.3526029986708354
Energy: 1.375630496357644
Energy: 1.33497232452124
Energy: 1.3774156995586726
Energy: 1.3491878320192436
Energy: 1.3774156995610314
Energy: 1.5578019642140524
Energy: 1.3049613893138676
Energy: 1.8264228028986755
Energy: 1.3049613893150747
Energy: 1.5571517366580687
Energy: 1.3055132585260196
Energy: 1.8144010621320152
Energy: 1.3055132585260196
Energy: 1.4703423631515218
Energy: 1.375610279244009
Energy: 1.3522371016327845
Energy: 1.3756102792452158
Energy: 1.3945563720089122
Energy: 1.3769291032028435
Energy: 1.3491714849000656
Energy: 1.3769291032052569
Energy: 1.3482912031276129
Energy: 1.3657554361269113
Energy: 1.5609350164588949
Energy: 1.3657554361293252
Energy: 1.3509669892167018
Energy: 1.3780193414420623
Energy: 1.314951573339268
Energy: 1.3780193414420623
Energy: 1.6009775125849184
Energy: 1.4721241260316826
Energy: 1.4337008861825224
Energy: 1.4721241260292688
Energy: 1.3944804618627515
Energy: 1.3584872805301422
Energy: 1.4905628465414804
Energy: 1.358487280533708
Energy: 1.4527605174881058
Energy: 1.2871169931142614
Energy: 1.6985891607743893
Energy: 1.2871169931142614
Energy: 1.8198593673576136
Energy: 1.313108119461772
Energy: 1.437627035781744
Energy: 1.3131081194629788

minimum gb energy = 1.25947356297315 eV
minimum distance =  2.26825759693157 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.342948528737647
Energy: 1.3025516827170196
Energy: 1.658565276359244
Energy: 1.3025516827153512
Energy: 1.2705363636239313
Energy: 1.3101916794406212
Energy: 1.3491320387147807
Energy: 1.3101916794406212
Energy: 1.4641937997331131
Energy: 1.3709523640624819
Energy: 1.4318349750570827
Energy: 1.3709523640624819
Energy: 1.3477791033408837
Energy: 1.3702267187754102
Energy: 1.404349165874338
Energy: 1.3702267187754102
Energy: 1.2600468336441728
Energy: 1.3026494196687228
Energy: 1.2589541977161973
Energy: 1.3026494196687228
Energy: 1.2593296238622005
Energy: 1.2593636094321674
Energy: 1.2593213094955729
Energy: 1.2593636094321674
Energy: 1.4077261891113915
Energy: 1.3710638140258897
Energy: 1.4638400088799353
Energy: 1.3710638140258897
Energy: 1.4068228133640117
Energy: 1.3706103250029018
Energy: 1.4648065923136493
Energy: 1.3706103250029018
Energy: 1.6226079028488238
Energy: 1.3025111435899646
Energy: 1.3208038646107298
Energy: 1.3025111435899646
Energy: 1.622607902847155
Energy: 1.3025533824002336
Energy: 1.3208417300580086
Energy: 1.3025533824002336
Energy: 1.4067942972594436
Energy: 1.3706054406809651
Energy: 1.4648065923119806
Energy: 1.3706054406809651
Energy: 1.4077176524963182
Energy: 1.3709369911460794
Energy: 1.4638400088799353
Energy: 1.3709369911460794
Energy: 1.2592936142197777
Energy: 1.2593552874281053
Energy: 1.2593164298138326
Energy: 1.2593552874297742
Energy: 1.260043520137805
Energy: 1.302667224815241
Energy: 1.2589795415898302
Energy: 1.302667224815241
Energy: 1.347781865772907
Energy: 1.370227443014337
Energy: 1.4043901873002589
Energy: 1.370227443014337
Energy: 1.4641937997364505
Energy: 1.3708242542356113
Energy: 1.4318377228963828
Energy: 1.3708242542356113
Energy: 1.2705136749694468
Energy: 1.310117460455323
Energy: 1.349120229926337
Energy: 1.310117460455323
Energy: 1.342948528737647
Energy: 1.3025516827153512
Energy: 1.658565276324202
Energy: 1.3025516827170196
Energy: 1.2705363636239313
Energy: 1.3101916794406212
Energy: 1.3491320387147807
Energy: 1.3101916794406212
Energy: 1.4641937997331131
Energy: 1.3709523640624819
Energy: 1.4318349750570827
Energy: 1.3709523640624819
Energy: 1.3477791033408837
Energy: 1.3702267187754102
Energy: 1.404349165874338
Energy: 1.370226718777079
Energy: 1.2600468336425044
Energy: 1.3026494196687228
Energy: 1.2589541977161973
Energy: 1.3026494196687228
Energy: 1.2593296238622005
Energy: 1.2593636094321674
Energy: 1.2593213094955729
Energy: 1.2593636094321674
Energy: 1.4077261891113915
Energy: 1.3710638140258897
Energy: 1.463840008881604
Energy: 1.3710638140258897

minimum gb energy = 1.2589541977161973 eV
minimum distance =  2.28605139425774 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.5096916201267405
Energy: 1.3203621371252845
Energy: 1.8967923232078172
Energy: 1.3203621371252845
Energy: 1.2935540756645623
Energy: 1.2484642402160162
Energy: 1.4134854583981056
Energy: 1.2484642402170476
Energy: 1.306224196320338
Energy: 1.3386458055232773
Energy: 1.3453567928187447
Energy: 1.3386458055232773
Energy: 1.30923937386353
Energy: 1.3191289426836037
Energy: 1.5319001910090029
Energy: 1.3191289426825723
Energy: 1.3259266813943271
Energy: 1.3358112470175396
Energy: 1.3431392690679733
Energy: 1.3358112470196022
Energy: 1.382056608114061
Energy: 1.3579441460778214
Energy: 1.3444112131821317
Energy: 1.3579441460788528
Energy: 1.3406991165525723
Energy: 1.350028437599762
Energy: 1.2770113882753886
Energy: 1.350028437599762
Energy: 1.3401070168831524
Energy: 1.3501239444346846
Energy: 1.3325071316688417
Energy: 1.350123944435716
Energy: 1.382313315794249
Energy: 1.3091662728195872
Energy: 1.492090307539712
Energy: 1.309166272816493
Energy: 1.3740992927740847
Energy: 1.309488261864968
Energy: 1.4899422715197645
Energy: 1.309488261862905
Energy: 1.3925294969382547
Energy: 1.3146760371923283
Energy: 1.5392102219451245
Energy: 1.3146760371923283
Energy: 1.3904214047808716
Energy: 1.3149018948657687
Energy: 1.3392528381866093
Energy: 1.3149018948657687
Energy: 1.3732077473800195
Energy: 1.3528064641770312
Energy: 1.358042295118264
Energy: 1.3528064641759998
Energy: 1.3038210519205178
Energy: 1.3358152895534272
Energy: 1.3579422690784784
Energy: 1.3358152895524429
Energy: 1.307618109571565
Energy: 1.3751815860512666
Energy: 1.357186848689416
Energy: 1.3751815860502354
Energy: 1.3085380829957733
Energy: 1.3499076521979507
Energy: 1.3066238803090182
Energy: 1.349907652195888
Energy: 1.5023245368063687
Energy: 1.2959859010618155
Energy: 1.3492880975663906
Energy: 1.2959859010628472
Energy: 1.3898183592807045
Energy: 1.3336439942742242
Energy: 1.545169607595064
Energy: 1.3336439942752556
Energy: 1.3954232551118928
Energy: 1.279508856813185
Energy: 1.3910954545191165
Energy: 1.279508856813185
Energy: 1.750350819581238
Energy: 1.313492021502966
Energy: 1.388654706099883
Energy: 1.3134920215050288
Energy: 1.3467201857796407
Energy: 1.4421964644866914
Energy: 1.5321098481684556
Energy: 1.4421964644835972
Energy: 1.3409752880475503
Energy: 1.33568870252982
Energy: 1.283693937683608
Energy: 1.335688702526726
Energy: 1.4626924736068327
Energy: 1.3592080022088289
Energy: 1.3513563333301823
Energy: 1.35920800220986
Energy: 1.3170241608259423
Energy: 1.3501620032821298
Energy: 1.2804021973092783
Energy: 1.350162003283161
Energy: 1.3208962968279094
Energy: 1.374924561807796
Energy: 1.414865145101098
Energy: 1.374924561807796
Energy: 1.3088009594042227
Energy: 1.3362511454153883
Energy: 1.3336374563261224
Energy: 1.3362511454122943
Energy: 1.3178479291399865
Energy: 1.3363688392892057
Energy: 1.3987788549414626
Energy: 1.3363688392892057
Energy: 1.4891441974015187
Energy: 1.2722837520342856
Energy: 1.4156534639381755
Energy: 1.272283752035317
Energy: 1.4835149795747906
Energy: 1.2734715456965302
Energy: 1.4154585189339903
Energy: 1.273471545695499
Energy: 1.3060811843429696
Energy: 1.336344635509059
Energy: 1.3334132674820518
Energy: 1.3363446355080273
Energy: 1.3100265419844914
Energy: 1.3362762045377665
Energy: 1.398925949027385
Energy: 1.336276204538798
Energy: 1.3169588510739225
Energy: 1.3746753337039317
Energy: 1.3406681595180527
Energy: 1.374675333704963
Energy: 1.322197319295545
Energy: 1.350458222772358
Energy: 1.2785907878977776
Energy: 1.3504582227713269
Energy: 1.420635072815041
Energy: 1.352260464944937
Energy: 1.2841212622466545
Energy: 1.3522604649408114
Energy: 1.3475901305490832
Energy: 1.3360819842641716
Energy: 1.3328655092024912
Energy: 1.336081984265203
Energy: 1.4317860662867372
Energy: 1.2810720247516014
Energy: 1.4916756003656058
Energy: 1.2810720247505698
Energy: 1.744766032520257
Energy: 1.312680355260939
Energy: 1.3885759306310999
Energy: 1.3126803552619701
Energy: 1.5021773519474249
Energy: 1.2790473968175968
Energy: 1.3032373674328517
Energy: 1.2790473968186282

minimum gb energy = 1.2484642402160162 eV
minimum distance =  2.28570676117429 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.4225678617964665
Energy: 1.2472565034972372
Energy: 1.607559545407405
Energy: 1.247256503497513
Energy: 1.2940289612762745
Energy: 1.3429514116599661
Energy: 1.3673470390468134
Energy: 1.3429514116607633
Energy: 1.4093627673516091
Energy: 1.2411795961503784
Energy: 1.249277008386967
Energy: 1.2411795961503784
Energy: 1.3159234165486724
Energy: 1.306864755463984
Energy: 1.4890813891749557
Energy: 1.3068647554634323
Energy: 1.3231781575967556
Energy: 1.3012240496266416
Energy: 1.2501143943667197
Energy: 1.3012240496263963
Energy: 1.3050498834828628
Energy: 1.4668175423810552
Energy: 1.250520843940886
Energy: 1.4668175423810552
Energy: 1.3076286100171783
Energy: 1.2410220926760551
Energy: 1.2503707894702905
Energy: 1.2410220926765765
Energy: 1.3072824384768031
Energy: 1.3058193607839812
Energy: 1.4753878116449997
Energy: 1.3058193607837054
Energy: 1.4116094728565998
Energy: 1.3011269628884656
Energy: 1.2337677802825235
Energy: 1.301126962888987
Energy: 1.3052742854615502
Energy: 1.301853629735172
Energy: 1.2349009108412745
Energy: 1.301853629735172
Energy: 1.3752146777579954
Energy: 1.2410945170667225
Energy: 1.475400832968999
Energy: 1.2410945170664462
Energy: 1.3772423098410465
Energy: 1.2418199889326456
Energy: 1.4752952018794276
Energy: 1.2418199889329216
Energy: 1.4097850209037839
Energy: 1.3012850281133843
Energy: 1.2337499625163353
Energy: 1.3012850281133843
Energy: 1.4093138590889036
Energy: 1.3023838302936266
Energy: 1.2344696497181522
Energy: 1.3023838302938717
Energy: 1.30658527856716
Energy: 1.3077002470944719
Energy: 1.4755631085911107
Energy: 1.3077002470944719

minimum gb energy = 1.2337499625163353 eV
minimum distance =  2.28593265525972 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.2912048397625921
Energy: 1.2113770068844798
Energy: 1.5504649914889317
Energy: 1.2113770068890042
Energy: 1.2249847688409932
Energy: 1.2078494235694848
Energy: 1.2627614890915253
Energy: 1.2078494235694848
Energy: 1.2955172646952577
Energy: 1.183225984485384
Energy: 1.2877277718536724
Energy: 1.183225984485384
Energy: 1.2774905031110575
Energy: 1.2791388583710945
Energy: 1.262283275877077
Energy: 1.2791388583722256
Energy: 1.2053709996365036
Energy: 1.2143027426317006
Energy: 1.2154171331212325
Energy: 1.2143027426317006
Energy: 1.312874559249364
Energy: 1.2149924847662654
Energy: 1.2813423957976642
Energy: 1.2149924847662654
Energy: 1.2366394127644187
Energy: 1.1832198348105782
Energy: 1.2441409858992398
Energy: 1.1832198348094471
Energy: 1.2427041635541503
Energy: 1.2382477907454243
Energy: 1.2358813542993539
Energy: 1.2382477907454243
Energy: 1.2089519930798474
Energy: 1.2147068190818417
Energy: 1.198406702497746
Energy: 1.2147068190818417
Energy: 1.383903158066556
Energy: 1.2148037305645587
Energy: 1.3058074470160868
Energy: 1.2148037305645587
Energy: 1.271264013955389
Energy: 1.183340029812703
Energy: 1.289680678235571
Energy: 1.183340029812703
Energy: 1.2641210126185052
Energy: 1.1841781437403145
Energy: 1.2360008474798225
Energy: 1.1841781437403145
Energy: 1.3263215713307899
Energy: 1.2057670188584861
Energy: 1.2746668619887915
Energy: 1.2057670188584861
Energy: 1.2632639634478589
Energy: 1.208949251233421
Energy: 1.4024270867231412
Energy: 1.208949251233421
Energy: 1.2705280480806735
Energy: 1.1833921103291811
Energy: 1.2877499941615094
Energy: 1.1833921103291811
Energy: 1.2636728903814656
Energy: 1.183941988411599
Energy: 1.2953732006301306
Energy: 1.183941988411599
Energy: 1.3270879764844108
Energy: 1.2142570361831766
Energy: 1.1986433558812968
Energy: 1.2142570361831766
Energy: 1.215069651336963
Energy: 1.2145816091124073
Energy: 1.306370316493616
Energy: 1.2145816091124073
Energy: 1.2364306747646174
Energy: 1.1839572252997594
Energy: 1.2416455342130819
Energy: 1.1839572252986283
Energy: 1.2416484657109272
Energy: 1.1839428757999728
Energy: 1.2366088310753203
Energy: 1.1839428757999728
Energy: 1.3063688695830356
Energy: 1.2148377143275488
Energy: 1.2150850725900657
Energy: 1.2148377143275488
Energy: 1.1985961275352428
Energy: 1.214363465941474
Energy: 1.3270879764889352
Energy: 1.214363465942605
Energy: 1.2953732006301306
Energy: 1.184263329891946
Energy: 1.263736304165108
Energy: 1.184263329891946
Energy: 1.2877499941625887
Energy: 1.1833785314310796
Energy: 1.270665735134922
Energy: 1.1833785314310796
Energy: 1.402085413295796
Energy: 1.2087983003343814
Energy: 1.2635042953842586
Energy: 1.2087983003343814
Energy: 1.2739251358757888
Energy: 1.2058709427984429
Energy: 1.3263215713251344
Energy: 1.2058709427984429
Energy: 1.2360489084703967
Energy: 1.1841946224110276
Energy: 1.2642540969039298
Energy: 1.1841946224110276
Energy: 1.2896806782333088
Energy: 1.1833438328538368
Energy: 1.2703912936697401
Energy: 1.1833438328538368
Energy: 1.305820220686247
Energy: 1.214801952106598
Energy: 1.383318393861605
Energy: 1.214801952105467
Energy: 1.1983948005326195
Energy: 1.2146852577661336
Energy: 1.208952546586234
Energy: 1.2146852577661336
Energy: 1.235952893895557
Energy: 1.2381956589537124
Energy: 1.2425098697695898
Energy: 1.2381956589525813
Energy: 1.244153502963675
Energy: 1.1835699130337625
Energy: 1.2366396732955163
Energy: 1.1835699130348936
Energy: 1.2813219630379546
Energy: 1.2150416300630182
Energy: 1.3128552019682953
Energy: 1.2150416300630182
Energy: 1.2154794724165994
Energy: 1.2143057904357817
Energy: 1.2053656740161047
Energy: 1.2143057904369128
Energy: 1.2639914700811787
Energy: 1.2790303140613766
Energy: 1.2776677020752831
Energy: 1.2790303140613766

minimum gb energy = 1.1832198348094471 eV
minimum distance =  2.30187237816166 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.2835187534743333
Energy: 1.1172884994042647
Energy: 1.4725835045069586
Energy: 1.1172884994042647
Energy: 1.1504042850956993
Energy: 1.1702950256771512
Energy: 1.2216908939121247
Energy: 1.1702950256769742
Energy: 1.2817548409357995
Energy: 1.1027933124312483
Energy: 1.293795172121719
Energy: 1.1027933124312483
Energy: 1.2547775284402791
Energy: 1.1566899318930834
Energy: 1.2439105837800923
Energy: 1.1566899318932824
Energy: 1.2027233211022281
Energy: 1.1019571875434528
Energy: 1.3041978789938193
Energy: 1.1019571875436516
Energy: 1.3158008757167208
Energy: 1.1468948398389263
Energy: 1.237608431946579
Energy: 1.1468948398389263
Energy: 1.1926697995282807
Energy: 1.1027961498317915
Energy: 1.1940213344062849
Energy: 1.1027961498246046
Energy: 1.1929541088579259
Energy: 1.2494057042201976
Energy: 1.233397918201849
Energy: 1.2494057042207725
Energy: 1.1983376673987267
Energy: 1.1019858345671412
Energy: 1.2334607431770108
Energy: 1.1019858345665665
Energy: 1.260527786326236
Energy: 1.146762839957821
Energy: 1.2379692354519227
Energy: 1.146762839957622
Energy: 1.1768341259299688
Energy: 1.1027119126233837
Energy: 1.2349275129611255
Energy: 1.1027119126235831
Energy: 1.1727906081357877
Energy: 1.1476360322859385
Energy: 1.2335005822082485
Energy: 1.1476360322853636
Energy: 1.2821782404544855
Energy: 1.1019662925920892
Energy: 1.2414547517552046
Energy: 1.101966292591691
Energy: 1.150445525343748
Energy: 1.1032796222359424
Energy: 1.2217391746003534
Energy: 1.1032796222351684
Energy: 1.1832126910723755
Energy: 1.1172310689337814
Energy: 1.3022595463021323
Energy: 1.1172310689337814
Energy: 1.1830586394908305
Energy: 1.1388281427935965
Energy: 1.2042439023288096
Energy: 1.1388281427930211
Energy: 1.281799937289077
Energy: 1.1020190879997895
Energy: 1.2414823796349894
Energy: 1.1020190879999885
Energy: 1.2594212445429345
Energy: 1.103339260617479
Energy: 1.2418946599251142
Energy: 1.103339260617479
Energy: 1.1769523943035347
Energy: 1.1027816720778636
Energy: 1.302284596211253
Energy: 1.1027816720780628
Energy: 1.1729842453351804
Energy: 1.147223422869592
Energy: 1.30493473329455
Energy: 1.1472234228697908

minimum gb energy = 1.1019571875434528 eV
minimum distance =  2.28791374189306 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.1534515994373795
Energy: 1.0169558667349055
Energy: 1.2881721362620682
Energy: 1.0169558667349055
Energy: 1.0806031122186144
Energy: 1.187195671021878
Energy: 1.084050244554225
Energy: 1.187195671021878
Energy: 1.14117575957712
Energy: 1.0006079522602827
Energy: 1.1833260108000752
Energy: 1.0006079522602827
Energy: 1.0829449078295381
Energy: 1.0547797440324018
Energy: 1.0844761122182103
Energy: 1.0547797440324018
Energy: 1.1281725092645771
Energy: 0.9954707291673381
Energy: 1.14788312486073
Energy: 0.9954707291658185
Energy: 1.1242075604896131
Energy: 1.0660731551768092
Energy: 1.1557347768340775
Energy: 1.0660731551752898
Energy: 1.0876770581615989
Energy: 0.9952592480873111
Energy: 1.134266877504666
Energy: 0.995259248084272
Energy: 1.1334066298893355
Energy: 1.0201267756580923
Energy: 1.156438633807745
Energy: 1.0201267756580923
Energy: 1.0912867722808142
Energy: 0.9954051388529703
Energy: 1.116425876781919
Energy: 0.9954051388560096
Energy: 1.1508459201156085
Energy: 1.073556022419707
Energy: 1.1200160692428618
Energy: 1.0735560224181873
Energy: 1.083038106884837
Energy: 0.9953325997413583
Energy: 1.124464080714782
Energy: 0.995332599742878
Energy: 1.1298215707269055
Energy: 1.0201584590922546
Energy: 1.1559162706822133
Energy: 1.0201584590922546
Energy: 1.0907028221366963
Energy: 0.995447639684353
Energy: 1.1090891524213933
Energy: 0.995447639681314
Energy: 1.1392972935740602
Energy: 1.019869779651432
Energy: 1.0912091985528067
Energy: 1.0198697796529514
Energy: 1.0814635537708766
Energy: 0.9954805804231048
Energy: 1.1503628820323792
Energy: 0.9954805804200656
Energy: 1.081800329079674
Energy: 0.9954547715424367
Energy: 1.0649020209117008
Energy: 0.9954547715424367
Energy: 1.137957544743627
Energy: 1.0007921924283538
Energy: 1.0663308519854315
Energy: 1.0007921924283538
Energy: 1.0640817933753126
Energy: 1.0390209877977057
Energy: 1.0674216284600613
Energy: 1.0390209877946666
Energy: 1.08048935313121
Energy: 1.016352211213775
Energy: 1.1519490766742786
Energy: 1.016352211213775
Energy: 1.10434503129006
Energy: 1.0172701569524802
Energy: 1.1115314611399048
Energy: 1.0172701569524802
Energy: 1.1375789758832668
Energy: 1.0007023263997106
Energy: 1.066289468184797
Energy: 1.0007023263997106
Energy: 1.1398744103208225
Energy: 1.013757023890219
Energy: 1.067405545057629
Energy: 1.0137570238886995
Energy: 1.0815237440716563
Energy: 0.995530784221816
Energy: 1.1512497822681118
Energy: 0.9955307842126986
Energy: 1.0833846037948114
Energy: 0.9951643359776954
Energy: 1.1554856664318347
Energy: 0.9951643359762102
Energy: 1.0875619064603799
Energy: 0.995689910744991
Energy: 1.109139661574188
Energy: 0.995689910744991
Energy: 1.176019141085132
Energy: 1.0195140095195108
Energy: 1.0914126478826074
Energy: 1.0195140095195108

minimum gb energy = 0.9951643359762102 eV
minimum distance =  2.29990024246474 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.0896185126712776
Energy: 0.9374996380502912
Energy: 1.1560060720907799
Energy: 0.9374996380490455
Energy: 1.0045553523103592
Energy: 0.9869148528117344
Energy: 1.0380710607589618
Energy: 0.9869148528217007
Energy: 1.034701328831305
Energy: 0.9199389049275919
Energy: 1.0571143414117787
Energy: 0.9199389049263461
Energy: 1.042791943025742
Energy: 0.9797408922456847
Energy: 1.0335614661385955
Energy: 0.9797408922469304
Energy: 1.0524018132803825
Energy: 0.9103754319039385
Energy: 1.0385965911608812
Energy: 0.9103754319026929
Energy: 1.0418514582160894
Energy: 0.9811199840959396
Energy: 1.0335995671717804
Energy: 0.9811199840959396
Energy: 1.0596215036458172
Energy: 0.9087200014414591
Energy: 1.060646308599855
Energy: 0.908720001442705
Energy: 1.0534070961255875
Energy: 0.9357187100009063
Energy: 1.0343337235906709
Energy: 0.9357187100009063
Energy: 1.0666159536715527
Energy: 0.9086077538170112
Energy: 1.022837537668288
Energy: 0.9086077538157655
Energy: 1.0538127687584438
Energy: 0.9672692542045424
Energy: 1.0524617587568494
Energy: 0.9672692542032963
Energy: 1.0462239383009255
Energy: 0.9087558358832017
Energy: 1.0322382997923834
Energy: 0.9087558358819561
Energy: 1.0375313721184325
Energy: 0.9548216573722919
Energy: 1.0530875109590168
Energy: 0.9548216573735376
Energy: 1.0534964744910913
Energy: 0.9088838245825472
Energy: 1.0250653989196334
Energy: 0.9088838245825472
Energy: 1.0531578972579267
Energy: 0.9235627399056209
Energy: 1.0459944154036023
Energy: 0.9235627399043752
Energy: 0.9978055934774941
Energy: 0.9087034727183251
Energy: 1.0271320725800435
Energy: 0.9087034727183251
Energy: 1.021312679508681
Energy: 0.9234044023108355
Energy: 1.058707472155163
Energy: 0.9234044023108355
Energy: 1.0640144421372313
Energy: 0.9087827636761269
Energy: 0.9872929342685466
Energy: 0.9087827636773725
Energy: 1.038843117532171
Energy: 0.9083940343673556
Energy: 1.0051742104938306
Energy: 0.9083940343698472
Energy: 0.9878685836081833
Energy: 0.9103942338586982
Energy: 1.0405231271613156
Energy: 0.9103942338586982
Energy: 0.993942194402213
Energy: 0.9663512913444915
Energy: 1.0041698959363765
Energy: 0.9663512913432457
Energy: 1.0319386977805236
Energy: 0.9205180146856838
Energy: 0.9943383413650391
Energy: 0.9205180146856838
Energy: 0.9981824408047426
Energy: 0.9390973485385347
Energy: 1.0333801163102787
Energy: 0.9390973485385347
Energy: 1.002482018773953
Energy: 0.9380977585996796
Energy: 1.0426040692393426
Energy: 0.9380977586021712
Energy: 1.0456396547137743
Energy: 0.9423674370416161
Energy: 1.006245004232229
Energy: 0.9423674370416161
Energy: 1.0392135892473249
Energy: 0.920250674275566
Energy: 0.9940108522382403
Energy: 0.920250674275566
Energy: 1.0388219494135755
Energy: 0.9203684753217486
Energy: 1.033296103131234
Energy: 0.9203684753229945
Energy: 0.9880918573153913
Energy: 0.910283624493829
Energy: 1.0429978572415006
Energy: 0.910283624493829
Energy: 0.9930243930507324
Energy: 0.9192962290343936
Energy: 1.0587180262222236
Energy: 0.9192962290343936
Energy: 1.0578427700646327
Energy: 0.9089584947362905
Energy: 0.9876551001461885
Energy: 0.9089584947350446
Energy: 1.0530126554016825
Energy: 0.9081579325781418
Energy: 1.0376280803113183
Energy: 0.9081579325781418
Energy: 0.9978201989420744
Energy: 0.908772763120039
Energy: 1.030076877746112
Energy: 0.908772763120039
Energy: 1.0217220788057255
Energy: 0.9230489744354488
Energy: 1.069608205499303
Energy: 0.9230489744366946

minimum gb energy = 0.9081579325781418 eV
minimum distance =  2.30046952151161 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.0149263519172134
Energy: 0.8681350029089925
Energy: 1.0569745410027431
Energy: 0.8681350029068817
Energy: 0.9529982558998454
Energy: 0.9107316842799366
Energy: 0.960512584812234
Energy: 0.9107316842831026
Energy: 0.9519991035521563
Energy: 0.8584380703314191
Energy: 0.9943523039682055
Energy: 0.8584380703324744
Energy: 0.9630458069101049
Energy: 0.9026617087058372
Energy: 0.9605765946570628
Energy: 0.9026617087058372
Energy: 0.9839174438690248
Energy: 0.8480746805744337
Energy: 0.9558818994784738
Energy: 0.8480746805733783
Energy: 0.9629503396075666
Energy: 0.9019783381308466
Energy: 0.9664632600170028
Energy: 0.9019783381319021
Energy: 0.9715640053567483
Energy: 0.8383371859144076
Energy: 1.0060423168280768
Energy: 0.8383371859144076
Energy: 0.9620029831416012
Energy: 0.9038535382630226
Energy: 0.966245397445662
Energy: 0.9038535382630226
Energy: 1.0007386765324235
Energy: 0.838123126922692
Energy: 0.9560786349481339
Energy: 0.838123126922692
Energy: 0.9620673478658329
Energy: 0.8556918099122787
Energy: 0.9751011079980599
Energy: 0.8556918099101679
Energy: 0.9657263404405431
Energy: 0.8381976681939269
Energy: 0.9727820029631714
Energy: 0.8381976681918163
Energy: 0.9755689559198586
Energy: 0.8756283807941492
Energy: 0.9751222018478695
Energy: 0.8756283807952046
Energy: 0.9773138536926974
Energy: 0.8382421163015447
Energy: 0.9478179174721006
Energy: 0.8382421163026001
Energy: 0.9758863766883864
Energy: 0.8679215329233027
Energy: 0.9701231129363774
Energy: 0.8679215329222474
Energy: 0.9714247086555031
Energy: 0.8382837366527691
Energy: 0.9542772179681649
Energy: 0.8382837366527691
Energy: 0.978149181504291
Energy: 0.8678667826036295
Energy: 0.9745250667962682
Energy: 0.8678667826015188
Energy: 0.9686031061173305
Energy: 0.8383200968975617
Energy: 0.9440449953157471
Energy: 0.8383200968965063
Energy: 0.9751523688645203
Energy: 0.8478501820074176
Energy: 0.9376527638816867
Energy: 0.8478501820074176
Energy: 0.9297291183714825
Energy: 0.8383428610118091
Energy: 0.9519183407230627
Energy: 0.8383428610160305
Energy: 0.9400876817705055
Energy: 0.8551050135140474
Energy: 0.9615184743756682
Energy: 0.8551050135108813
Energy: 0.9760714801490954
Energy: 0.8386481009503746
Energy: 0.9340174399894804
Energy: 0.8386481009524852
Energy: 0.9687645006970891
Energy: 0.8942069299759086
Energy: 0.9321447185111945
Energy: 0.8942069299769638
Energy: 0.9296624636162387
Energy: 0.8481581808384162
Energy: 0.9567931609508213
Energy: 0.8481581808384162
Energy: 0.9663056361846958
Energy: 0.901496509863816
Energy: 0.930908969819475
Energy: 0.9014965098648714
Energy: 0.9503106935848155
Energy: 0.8585211888362511
Energy: 0.9415036344595654
Energy: 0.8585211888341403
Energy: 0.9300221451763122
Energy: 0.90304837890102
Energy: 0.9721198848037182
Energy: 0.9030483788999647
Energy: 0.9411512340816852
Energy: 0.8686451961239111
Energy: 0.9585572988090181
Energy: 0.8686451961249665
Energy: 0.967015372770449
Energy: 0.8816255440312297
Energy: 0.9544166764195448
Energy: 0.8816255440280636
Energy: 0.9568463284840356
Energy: 0.8584161029222949
Energy: 0.9413539402980493
Energy: 0.8584161029212395
Energy: 0.9700645148793513
Energy: 0.8587678321816236
Energy: 0.9718555320067385
Energy: 0.8587678321805681
Energy: 0.9299755713920635
Energy: 0.8483793955149312
Energy: 0.9584706154166738
Energy: 0.8483793955128206
Energy: 0.9658626009934052
Energy: 0.8592268651230756
Energy: 0.9617211020563637
Energy: 0.8592268651251862
Energy: 0.9708976393827533
Energy: 0.8389780116653363
Energy: 0.9328683186194185
Energy: 0.8389780116632254
Energy: 0.9752159817587142
Energy: 0.8446703171624634
Energy: 0.9627401241103184
Energy: 0.8446703171624634
Energy: 0.9305387961451788
Energy: 0.8383789936615098
Energy: 0.9659687707233919
Energy: 0.8383789936625652
Energy: 0.9658572652749414
Energy: 0.8549078439240468
Energy: 0.9743037378580642
Energy: 0.8549078439229914
Energy: 0.9594053443424119
Energy: 0.8386556769632942
Energy: 0.9440702657406657
Energy: 0.8386556769664604

minimum gb energy = 0.838123126922692 eV
minimum distance =  2.31181419141183 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.9889484754085253
Energy: 0.8033187186500264
Energy: 0.949737590659308
Energy: 0.8033187186500264
Energy: 0.8535477946771756
Energy: 0.9266948351665238
Energy: 0.8772703926608597
Energy: 0.9266948351665238
Energy: 0.8646870183245697
Energy: 0.8016485785627608
Energy: 0.9592253352680233
Energy: 0.8016485785636761
Energy: 0.8681131170470587
Energy: 0.8018520556348635
Energy: 0.8772839864928913
Energy: 0.8018520556348635
Energy: 0.9434498131026904
Energy: 0.7711739384453856
Energy: 0.8742633142222931
Energy: 0.7711739384453856
Energy: 0.8681346480663653
Energy: 0.806230695549906
Energy: 0.8782012841996879
Energy: 0.8062306955508213
Energy: 0.893328257956977
Energy: 0.7725154180843096
Energy: 0.9289994721442625
Energy: 0.7725154180852248
Energy: 0.8830365116118772
Energy: 0.8190349909840261
Energy: 0.8783458665536708
Energy: 0.8190349909831106
Energy: 0.940474963632287
Energy: 0.7569578452457677
Energy: 0.9109661670622454
Energy: 0.756957845246683
Energy: 0.8832815976856073
Energy: 0.8320877164734021
Energy: 0.8902540751105592
Energy: 0.8320877164724867
Energy: 0.8747838097685379
Energy: 0.756994435687403
Energy: 0.9328225763624792
Energy: 0.7569944356883184
Energy: 0.9069478529462787
Energy: 0.7740457434186127
Energy: 0.890021760515913
Energy: 0.7740457434195278
Energy: 0.900399001075281
Energy: 0.7571789804040737
Energy: 0.8938904541368794
Energy: 0.7571789804040737
Energy: 0.9071659864008768
Energy: 0.8052962689931671
Energy: 0.9080124191413949
Energy: 0.8052962689931671
Energy: 0.866394170733818
Energy: 0.7571114276605754
Energy: 0.9084343316883121
Energy: 0.7571114276614906
Energy: 0.903236672145509
Energy: 0.8033511727633527
Energy: 0.9078240533827039
Energy: 0.8033511727633527
Energy: 0.8762169975115888
Energy: 0.7570734687682552
Energy: 0.8959616271556184
Energy: 0.7570734687664246
Energy: 0.9065769113192845
Energy: 0.8030267128286596
Energy: 0.9079991566338842
Energy: 0.8030267128277441
Energy: 0.8745751070428546
Energy: 0.75728504713396
Energy: 0.9011861305998571
Energy: 0.75728504713396
Energy: 0.87644210030244
Energy: 0.7734397745772966
Energy: 0.9014945978913959
Energy: 0.773439774578212
Energy: 0.8727293764354557
Energy: 0.7571196640197071
Energy: 0.8644143403689734
Energy: 0.7571196640206224
Energy: 0.8836833630257579
Energy: 0.7739520099598864
Energy: 0.8910153799623957
Energy: 0.7739520099589711
Energy: 0.8660237487232997
Energy: 0.7568145024024024
Energy: 0.9106378151077354
Energy: 0.7568145024024024
Energy: 0.8848997203534489
Energy: 0.8162348958005171
Energy: 0.8738016111430974
Energy: 0.8162348958014327
Energy: 0.8963743013375882
Energy: 0.7722006915344555
Energy: 0.8600842904105642
Energy: 0.7722006915335402
Energy: 0.8679829303795082
Energy: 0.8060962055794721
Energy: 0.8779248894850191
Energy: 0.8060962055794721
Energy: 0.8748331156828292
Energy: 0.7712127852448689
Energy: 0.8746284224467455
Energy: 0.7712127852439536
Energy: 0.8869514921951264
Energy: 0.8057347527456802
Energy: 0.8480656086805433
Energy: 0.8057347527456802
Energy: 0.8633053199533444
Energy: 0.8017611258676282
Energy: 0.8647944029281815
Energy: 0.8017611258676282
Energy: 0.8529169863014896
Energy: 0.7991897478746529
Energy: 0.8773092062436237
Energy: 0.7991897478746529
Energy: 0.8943917658280182
Energy: 0.8034350354124619
Energy: 0.876839469920214
Energy: 0.8034350354124619
Energy: 0.900853879736029
Energy: 0.7739101279035763
Energy: 0.8482850312219657
Energy: 0.7739101279035763
Energy: 0.8632871246036194
Energy: 0.80184381052999
Energy: 0.8649642135799733
Energy: 0.8018438105309055
Energy: 0.8678388865761896
Energy: 0.7573825450749909
Energy: 0.8772965526094987
Energy: 0.7573825450768215
Energy: 0.8748092220992941
Energy: 0.7712420636067453
Energy: 0.8767482297781931
Energy: 0.7712420636067453
Energy: 0.8871982987713549
Energy: 0.7567383581245049
Energy: 0.8736098637186694
Energy: 0.7567383581235894
Energy: 0.8928028504490013
Energy: 0.7720574729742995
Energy: 0.8601555211416945
Energy: 0.7720574729742995
Energy: 0.8839342895807103
Energy: 0.7576345448296947
Energy: 0.8779892299939798
Energy: 0.7576345448296947
Energy: 0.8661091659842133
Energy: 0.7568690031280307
Energy: 0.9112965213663182
Energy: 0.7568690031280307
Energy: 0.8849867157166327
Energy: 0.7576058999010088
Energy: 0.9011530954207623
Energy: 0.7576058999000934
Energy: 0.8756221583241273
Energy: 0.7568104427693082
Energy: 0.8644782413470458
Energy: 0.7568104427702235
Energy: 0.9068018819102323
Energy: 0.773746906357654
Energy: 0.889651677819003
Energy: 0.773746906357654
Energy: 0.8745642932987024
Energy: 0.7572830576841764
Energy: 0.8912411479818994
Energy: 0.7572830576841764

minimum gb energy = 0.7567383581235894 eV
minimum distance =  2.3111242124375 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.014856655088961142
Energy: 0.014991467617568836
Energy: 1.5142148006557006
Energy: 0.014991467617568836
Energy: 0.016061320718845962
Energy: 0.807117626843747
Energy: 0.016061320718845962
Energy: 0.8071176268430824
Energy: 1.316790872859276
Energy: 0.014991467617568836
Energy: 0.014856655088961142
Energy: 0.014991467617568836
Energy: 0.016061320718845962
Energy: 0.807117626843747
Energy: 0.016061320718845962
Energy: 0.8071176268430824
Energy: 0.014856655088961142
Energy: 0.014991467616904283
Energy: 1.5142148006577336
Energy: 0.014991467617568836
Energy: 0.016061320718845962
Energy: 0.807117626843747
Energy: 0.016061320718845962
Energy: 0.8071176268430824

minimum gb energy = 0.014856655088961142 eV
minimum distance =  2.47197822644777 Angstroms
sigma value = 1