Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850998885929584
cohesive_energy=4.280334740105136
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015043063134763862
Energy: 0.016149408748543714
Energy: 0.015287566220155077
Energy: 1.7327270380328377
Energy: 0.015287472536205965
Energy: 0.01614936012239217
Energy: 0.015043063134526174
Energy: 0.01614941515354842
Energy: 0.01528782324442718
Energy: 1.2154646420861943
Energy: 0.595878665547761
Energy: 0.01560784619476124
Energy: 0.017166297704618326
Energy: 0.5906846620347396
Energy: 0.017166297702980934
Energy: 0.01560636317374012
Energy: 0.5958786655479986
Energy: 0.015607776908702199
Energy: 0.017166297702056597
Energy: 0.5906846620347396
Energy: 0.015043063134526174
Energy: 0.016148820318427338
Energy: 0.015288970002410755
Energy: 1.7327270380321507
Energy: 0.01528892865167016
Energy: 0.016148679391897073
Energy: 0.015043063134526174
Energy: 0.01614866684532301
Energy: 0.015288818647432286
Energy: 2.0141445640264233
Energy: 0.5958786655475232
Energy: 0.015606350574663856
Energy: 0.017166297700419206
Energy: 0.5906846620347396
Energy: 0.017166297706942366
Energy: 0.015607939401331164
Energy: 0.595878665547761
Energy: 0.01560643597266665
Energy: 0.017166297713676802
Energy: 0.5906846620347396
Energy: 0.015043063134526174
Energy: 0.01614932355241559
Energy: 0.015287906911785163
Energy: 1.6699604937102754
Energy: 0.015287692055471046
Energy: 0.016149428968256684
Energy: 0.015043063134526174
Energy: 0.016149547845472553
Energy: 0.015287375723173076
Energy: 2.196683130449742
Energy: 0.5958786655475232
Energy: 0.015608082537522824
Energy: 0.017166297698095166
Energy: 0.5906846620345019
Energy: 0.017166297709953055
Energy: 0.015606380255284423
Energy: 0.595878665547761
Energy: 0.015607833423785158
Energy: 0.017166297697408513
Energy: 0.5906846620347396
Energy: 0.015043063134526174
Energy: 0.01614865511203132
Energy: 0.015288521669273988
Energy: 1.2154646420861943
Energy: 0.015288637701256018
Energy: 0.01614855339373976
Energy: 0.015043063134526174
Energy: 0.016148732592527557
Energy: 0.015288740767834794
Energy: 2.0141445640261852

minimum gb energy = 0.015043063134526174 eV
minimum distance =  2.28681575846752 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.1167890613781077
Energy: 1.0448222648754701
Energy: 1.075469828187541
Energy: 1.23021144692135
Energy: 1.0756195430280435
Energy: 1.0428655882947087
Energy: 1.1167890613781077
Energy: 1.0448222648754701
Energy: 1.075469828187541
Energy: 1.0544756432356455
Energy: 1.0648775345062682
Energy: 1.0507137097112798
Energy: 1.050737522628657
Energy: 1.1208233435664663
Energy: 1.025382323888614
Energy: 1.0165813821076966
Energy: 1.0648775345056987
Energy: 1.0507137097107104
Energy: 1.050737522628657
Energy: 1.1208233435658972
Energy: 1.0556396484246124
Energy: 1.0226318626845645
Energy: 1.053047973777562
Energy: 1.0460896794600965
Energy: 1.055629128974756
Energy: 1.0235469974313933
Energy: 1.0556396484240431
Energy: 1.0406735887919547
Energy: 1.053047973777562
Energy: 1.046089679461235
Energy: 1.0762341045267234
Energy: 1.0968534173502322
Energy: 1.0098128464925717
Energy: 1.0835156993522848
Energy: 1.01113173092287
Energy: 1.0304855210900612
Energy: 1.076234104526154
Energy: 1.0968534173502322
Energy: 1.0098128464908638
Energy: 1.0835156993522848
Energy: 1.028892761126115
Energy: 1.055879860197771
Energy: 1.0518657068826154
Energy: 1.0825287149037268
Energy: 1.0594942323364818
Energy: 1.0511316494373082
Energy: 1.028892761126684
Energy: 1.055879860197771
Energy: 1.0518657068826154
Energy: 1.0825287149037268
Energy: 1.0555102285079114
Energy: 1.0123543473559926
Energy: 1.0987512951827771
Energy: 1.0708001319620117
Energy: 1.0216927474760942
Energy: 1.0398368760188412
Energy: 1.0328820439774515
Energy: 1.0123543473554233
Energy: 1.0987512951827771
Energy: 1.0708001319620117
Energy: 1.0332612831052974
Energy: 1.0095505091628356
Energy: 1.062806031312018
Energy: 1.0136474707095173
Energy: 1.0278700123909625
Energy: 1.1117866319270997
Energy: 1.0332612831058667
Energy: 1.009550509161697
Energy: 1.0628060313114487
Energy: 1.0136474707095173
Energy: 1.0411891746104671
Energy: 1.0696903254618408
Energy: 1.0788002043606708
Energy: 1.0333429131731873
Energy: 1.0097755759399658
Energy: 1.069192718438965
Energy: 1.011273412417355
Energy: 1.0696903254618408
Energy: 1.0788002043612404
Energy: 1.0333429131737566
Energy: 1.0499548966277872
Energy: 1.050503077353167
Energy: 1.049330316223436
Energy: 1.0750718148784277
Energy: 1.0485542672520063
Energy: 1.1711507598720279
Energy: 1.0499548966283565
Energy: 1.050503077353167
Energy: 1.0493303162240053
Energy: 1.0750718148778584
Energy: 1.0366330996111919
Energy: 1.0557161235143075
Energy: 1.131911301980357
Energy: 1.1324268665479642
Energy: 1.1510838215640666
Energy: 1.091106573292499
Energy: 1.0260903320783525
Energy: 1.0557161235148769
Energy: 1.131911301980357
Energy: 1.1324268665206394
Energy: 1.016058989302881
Energy: 1.0265641632729245
Energy: 1.0474087418919171
Energy: 1.0121512052104407
Energy: 1.0299693711397877
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Energy: 1.0474087418919171
Energy: 1.0121512052104407
Energy: 1.0523607878934944
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Energy: 1.02141346586982
Energy: 1.0122945355159017
Energy: 1.0226205282387604
Energy: 1.0401566734977499
Energy: 1.0523607878934944
Energy: 1.0548376172262806
Energy: 1.0214134658692506
Energy: 1.012294535516471
Energy: 1.0734846469886021
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Energy: 1.053938915577554
Energy: 1.0414767027556626
Energy: 1.0290316526032492
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Energy: 1.0734846469886021
Energy: 1.011771876802399
Energy: 1.0539389155781231
Energy: 1.0414767027573704
Energy: 1.0416148818320992
Energy: 1.0539389155792618
Energy: 1.011504946121693
Energy: 1.0735165741187227
Energy: 1.0815304863547712
Energy: 1.0291168296087039
Energy: 1.0416148818315296
Energy: 1.0539389155792618
Energy: 1.0115049461234007
Energy: 1.0735165741187227
Energy: 1.01227320014083
Energy: 1.0214057903085636
Energy: 1.0549127546046326
Energy: 1.051925416190025
Energy: 1.0401079751568745
Energy: 1.0223838203853888
Energy: 1.01227320014083
Energy: 1.021405790307425
Energy: 1.0549127546063406
Energy: 1.051925416190025
Energy: 1.0123511866667125
Energy: 1.0469228694050179
Energy: 1.026084962780821
Energy: 1.0157599183949955
Energy: 1.1789140286123883
Energy: 1.0297169698399353
Energy: 1.0123511866667125
Energy: 1.0469228694055874
Energy: 1.0260849627802515
Energy: 1.0157599183944261
Energy: 1.1319959102235966
Energy: 1.1318730005245101
Energy: 1.056255187286341
Energy: 1.0434176133759319
Energy: 1.0914389316256767
Energy: 1.1084843439052232
Energy: 1.1319959102270123
Energy: 1.1318730005228024
Energy: 1.0562551872869104
Energy: 1.0434176133759319
Energy: 1.0746439554045604
Energy: 1.0483154983000158
Energy: 1.0504334139797482
Energy: 1.0506296306360765
Energy: 1.1711107757758321
Energy: 1.0485146705962012
Energy: 1.0746439554045604
Energy: 1.0483154983005851
Energy: 1.0504334139803175
Energy: 1.0506296306360765
Energy: 1.0333084907796495
Energy: 1.0671328913488014
Energy: 1.069497109989212
Energy: 1.0112975909527213
Energy: 1.0690043222849728
Energy: 1.0104018033644682
Energy: 1.0333084907802186
Energy: 1.0671328913488014
Energy: 1.069497109989212
Energy: 1.0112975909527213
Energy: 1.0135401459756541
Energy: 1.0628552152164918
Energy: 1.010786806084524
Energy: 1.0336513285351339
Energy: 1.1101305389712202
Energy: 1.0279713181200536
Energy: 1.0135401459762234
Energy: 1.0628552152159225
Energy: 1.0107868060850933
Energy: 1.0336513285339952
Energy: 1.0708111049608278
Energy: 1.098732166432874
Energy: 1.012412936588127
Energy: 1.0555102285056344
Energy: 1.0393245028958729
Energy: 1.0192527059691507
Energy: 1.0708111049608278
Energy: 1.098732166432874
Energy: 1.0124129365875576
Energy: 1.0555102285056344
Energy: 1.0825210643474625
Energy: 1.0530685294569015
Energy: 1.0557923953397115
Energy: 1.0288631382089966
Energy: 1.0511316494395855
Energy: 1.0595204963512268
Energy: 1.0825210643474625
Energy: 1.0530685294574706
Energy: 1.0557923953391426
Energy: 1.0288631382084272
Energy: 1.0819315263924525
Energy: 1.0096413835784956
Energy: 1.096947047168689
Energy: 1.0760295812224578
Energy: 1.030475422506407
Energy: 1.0105649100433844
Energy: 1.0819315263918832
Energy: 1.009641383577357
Energy: 1.096947047168689
Energy: 1.0760295812230272
Energy: 1.046089679460666
Energy: 1.0529104960662365
Energy: 1.0223138965344953
Energy: 1.0554572247826266
Energy: 1.019675794961563
Energy: 1.0559974548667366
Energy: 1.046089679461235
Energy: 1.0529104960662365
Energy: 1.0223138965344953
Energy: 1.0554572247826266
Energy: 1.120818691314578
Energy: 1.0499579664167766
Energy: 1.0508361518306755
Energy: 1.0649980471860372
Energy: 1.0165961328044404
Energy: 1.025260579910286
Energy: 1.120818691314578
Energy: 1.0499579664167766
Energy: 1.0508361518306755
Energy: 1.0649980471854679
Energy: 1.0543858860968771
Energy: 1.0756195430274742
Energy: 1.042865588295278
Energy: 1.116789061376969
Energy: 1.044822264874901
Energy: 1.075469828187541
Energy: 1.0543858821359378
Energy: 1.0756195430274742
Energy: 1.042865588295278
Energy: 1.1167890613786768
Energy: 1.1208233435664663
Energy: 1.025382323888614
Energy: 1.0165813821076966
Energy: 1.0648775345056987
Energy: 1.0507137097107104
Energy: 1.050737522628657
Energy: 1.1208233435664663
Energy: 1.0253823238891833
Energy: 1.0165813821076966
Energy: 1.0648775345062682
Energy: 1.0460896794618044
Energy: 1.055629128974756
Energy: 1.0198524750066897
Energy: 1.0556396484246124
Energy: 1.0406735887913854
Energy: 1.053047973777562
Energy: 1.046089679460666
Energy: 1.0556291289758943
Energy: 1.023546997432532
Energy: 1.0556396484251815
Energy: 1.0835156993522848
Energy: 1.011131730923439
Energy: 1.0304855210900612
Energy: 1.076234104526154
Energy: 1.0968534173502322
Energy: 1.009812846491433
Energy: 1.0835156993522848
Energy: 1.01113173092287
Energy: 1.0304855210900612
Energy: 1.076234104526154

minimum gb energy = 1.009550509161697 eV
minimum distance =  2.30985104981854 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.2212772445969025
Energy: 1.145797329101608
Energy: 1.1157443343457811
Energy: 1.1817353445878
Energy: 1.0692118965791724
Energy: 1.1551028227448064
Energy: 1.2212772445969025
Energy: 1.1457973291013304
Energy: 1.1157443343452254
Energy: 1.108225826819424
Energy: 1.0571789685117523
Energy: 1.0743615874244068
Energy: 1.0164967897263804
Energy: 1.1406032036495828
Energy: 1.0076272656493666
Energy: 1.066774623553719
Energy: 1.05717896851203
Energy: 1.060780217673787
Energy: 1.0164967897258248
Energy: 1.1049405329619053
Energy: 1.0875235897362114
Energy: 1.0944686751758745
Energy: 1.0258215617586048
Energy: 1.0624378964333574
Energy: 1.0009928839136868
Energy: 1.03264024900992
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Energy: 1.0944686751764303
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Energy: 1.0624378964336354
Energy: 1.0602479331011343
Energy: 1.050513612599299
Energy: 1.1022645196400374
Energy: 1.051565973786807
Energy: 1.0509238505146268
Energy: 1.0236098119367998
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Energy: 1.1022645196400374
Energy: 1.0515659737870848
Energy: 1.0749023027716305
Energy: 1.0732306090622301
Energy: 1.041966042994104
Energy: 0.9992661642714729
Energy: 1.0739269748496159
Energy: 1.2090378113477913
Energy: 1.0749023027713527
Energy: 1.0732306090622301
Energy: 1.041966042994104
Energy: 0.9992661642823061
Energy: 1.0910639947582432
Energy: 1.0229480295618978
Energy: 1.0767313742542501
Energy: 0.9895516196625431
Energy: 1.076007029012598
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Energy: 1.0240173247020112
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Energy: 1.0212162402406473
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Energy: 1.2250324465648226
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Energy: 1.0952772390623227
Energy: 1.025354870876172
Energy: 1.0556460674867836
Energy: 1.0230407870239513
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Energy: 1.0253548708758942
Energy: 1.1094149162810063
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Energy: 1.0385072036791312
Energy: 1.099841126161417
Energy: 1.0642942890249902
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Energy: 1.0035645241541697
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Energy: 1.126180401504782
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Energy: 1.0453829999570365
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Energy: 1.0287005511419662
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Energy: 1.0035983342823664
Energy: 1.126180401504782
Energy: 1.0177584527415646
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Energy: 1.0824129255874995
Energy: 1.0649407491001281
Energy: 1.0035983342831998
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Energy: 1.0775343370146855
Energy: 1.0253736896870937
Energy: 1.0697629371107638
Energy: 1.0687998465146982
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Energy: 1.0697629371110418
Energy: 1.0034304520238222
Energy: 1.0514635773906427
Energy: 1.1020469450772126
Energy: 1.0865807754086547
Energy: 1.0729055722900895
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Energy: 1.0034304520235444
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Energy: 1.0888945055299921
Energy: 1.1287832391352228
Energy: 1.1550695429200324
Energy: 1.0701767463359513
Energy: 1.134338013945555
Energy: 1.0120891556455482
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Energy: 1.128783239134945
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Energy: 1.1884598184110304
Energy: 1.0222524868726057
Energy: 1.1533342728938645
Energy: 1.1889453450218053
Energy: 1.0739661028147771
Energy: 1.1290170777777442
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Energy: 1.0222524868726057
Energy: 1.1533342728938645
Energy: 1.1399279518725978
Energy: 1.092220360833312
Energy: 0.998184321485419
Energy: 1.04722864025246
Energy: 1.0289732213293183
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minimum gb energy = 0.9895516196619876 eV
minimum distance =  2.28353087158287 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.126462842825839
Energy: 1.0285723536755356
Energy: 1.0521506236729747
Energy: 1.2541474401662442
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Energy: 1.099484008049552
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Energy: 1.2541474401662442
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Energy: 1.0226211448875775
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Energy: 1.0603055695998784
Energy: 1.0614714954426363
Energy: 1.21641680968711
Energy: 1.0057112968841773
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Energy: 1.000932304675819
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Energy: 1.1264310682025989
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Energy: 1.1414228613916841
Energy: 1.1264310682025989
Energy: 1.1335952528278792
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Energy: 0.9905097271188267
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Energy: 1.0300900125613233
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Energy: 1.1335952528285058
Energy: 1.06159100439588
Energy: 0.9905097271178867
Energy: 0.9579287854523038
Energy: 1.0098776535694787
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Energy: 1.003354207174916
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Energy: 1.0528826752179488
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Energy: 1.030950934838499
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Energy: 1.06379854073076
Energy: 0.9790636640986857
Energy: 1.0827011121285506
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Energy: 1.17425266499066
Energy: 1.0616597225266895
Energy: 1.06379854073076
Energy: 1.221744497840634
Energy: 1.0279932462054755
Energy: 1.0037572798271537
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Energy: 1.0297333272210807
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Energy: 1.0279932462054755
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Energy: 1.0199829241227918
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Energy: 1.0917113174592978
Energy: 1.0228286568378206
Energy: 1.1292457769075233
Energy: 1.0339160752217014
Energy: 1.0338308058517969
Energy: 1.0247463802171948
Energy: 1.017789923455634
Energy: 1.0317921963331205
Energy: 1.155410604947009
Energy: 1.0339160752220147
Energy: 1.0338308058514833
Energy: 1.0247463802168812
Energy: 1.0177899234559473
Energy: 1.0341370642322236
Energy: 1.0330820376611385
Energy: 1.0262706553759902
Energy: 1.050228888160613
Energy: 1.1296537067756762
Energy: 1.0527570877618204
Energy: 1.0341370642322236
Energy: 1.033082037660825
Energy: 1.0262706553756766
Energy: 1.0502288881602997
Energy: 1.1618931187295338
Energy: 1.222777153552783
Energy: 1.0304499306108978
Energy: 1.0119983121855873
Energy: 1.13472440445569
Energy: 1.028109066603255
Energy: 1.1618931187298471
Energy: 1.222777153552783
Energy: 1.0304499306099577
Energy: 1.0119983121852738
Energy: 1.02669997732444
Energy: 1.2217406820887997
Energy: 1.217253568701512
Energy: 1.254805170548709
Energy: 1.0330455895172006
Energy: 1.005826118200722
Energy: 1.02669997732444
Energy: 1.2217406820884862
Energy: 1.2172535687018253
Energy: 1.254805170547769
Energy: 1.1151708869598502
Energy: 1.0258499253864921
Energy: 1.127584233912056
Energy: 1.1082291843759027
Energy: 1.127827479278942
Energy: 1.0615123583210602
Energy: 1.115170886959537
Energy: 1.0258499253864921
Energy: 1.127584233912056
Energy: 1.1082291843759027
Energy: 0.9636268526167975
Energy: 1.0272164288871275
Energy: 1.0119930061118865
Energy: 1.050375372435054
Energy: 1.2006708800694494
Energy: 1.0315211243955433
Energy: 0.9636268526171107
Energy: 1.0272164288871275
Energy: 1.0119930061118865
Energy: 1.050375372435054
Energy: 1.071574871215191
Energy: 1.0243659799544695
Energy: 1.0054959811538131
Energy: 1.0367580899610358
Energy: 1.0431719595695876
Energy: 1.0726860497687978
Energy: 1.071574871215191
Energy: 1.0243659799544695
Energy: 1.0054959811535
Energy: 1.0367580899616624
Energy: 1.196863273493689
Energy: 1.0275216495113102
Energy: 1.0268474852433396
Energy: 1.1267777620821513
Energy: 1.028324482346905
Energy: 1.0892347786293095
Energy: 1.196863273493689
Energy: 1.0275216495116237
Energy: 1.0268474852436529
Energy: 1.1267777620824646

minimum gb energy = 0.9579287854523038 eV
minimum distance =  2.27797865496423 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.0569648997376389
Energy: 1.0428257509378276
Energy: 0.9760698739687532
Energy: 1.4066064152017872
Energy: 0.9770631038780332
Energy: 1.0428905933558312
Energy: 1.0569648997376389
Energy: 1.0428257509378276
Energy: 0.9760698739687532
Energy: 1.086377938796802
Energy: 0.9893462822649297
Energy: 1.0261018028974134
Energy: 1.053342601682303
Energy: 1.0063042069705066
Energy: 0.9807505274250865
Energy: 1.0100326936763693
Energy: 0.9893462822649297
Energy: 1.0261018028963378
Energy: 1.053342601682303
Energy: 1.0063042069705066
Energy: 1.0156714726083507
Energy: 1.0656267333524057
Energy: 1.0723351321651708
Energy: 1.0105389632014015
Energy: 1.010666756639012
Energy: 1.0841044547455354
Energy: 1.0156714726083507
Energy: 1.0656267333524057
Energy: 1.0723351321662467
Energy: 1.0105389632014015
Energy: 1.0117108469407117
Energy: 1.011837876808506
Energy: 1.0112939088535968
Energy: 1.0115423943296926
Energy: 1.0138035464724195
Energy: 0.9805901608468295
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Energy: 1.0112939088535968
Energy: 1.0115423943296926
Energy: 1.0112120018115882
Energy: 1.0590868015634962
Energy: 1.0195177790122005
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Energy: 1.0619863649228505
Energy: 0.9993035592019764
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Energy: 1.0590868015634962
Energy: 1.0195177790122005
Energy: 1.0436863370621854
Energy: 1.0111298625920275
Energy: 0.9894275987385459
Energy: 0.9997294413315325
Energy: 1.0525968295930652
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Energy: 1.0072681808055381
Energy: 1.0057591058080042
Energy: 1.0112051213721753
Energy: 1.0100029743395138
Energy: 1.014500521250736
Energy: 0.9802716939323926
Energy: 1.0124744434599584
Energy: 0.97598072153696
Energy: 1.0897264561909479
Energy: 1.0100029743395138
Energy: 1.014500521250736
Energy: 0.9802716939323926
Energy: 1.0124744434599584
Energy: 1.0518066517714177
Energy: 0.9998128419182833
Energy: 0.9897385311546604
Energy: 1.01109862346448
Energy: 1.0530968642111178
Energy: 0.9885959058758209
Energy: 1.0518066517714177
Energy: 0.9998128419172075
Energy: 0.9897385311557362
Energy: 1.0110986234634043
Energy: 1.0437023748816985
Energy: 1.019454655733243
Energy: 1.0589919537271693
Energy: 1.011214817430984
Energy: 0.9993021985235523
Energy: 1.062425097224319
Energy: 1.0437023748816985
Energy: 1.019454655732167
Energy: 1.058991953728245
Energy: 1.011214817430984
Energy: 1.0115981537707142
Energy: 1.0113143876884303
Energy: 1.0117014545978542
Energy: 1.0115914147842437
Energy: 0.9805981169898282
Energy: 1.0136588115969738
Energy: 1.0115981537696381
Energy: 1.0113143876884303
Energy: 1.0117014545978542
Energy: 1.0115914147842437
Energy: 1.0106845905352764
Energy: 1.0723351321662467
Energy: 1.0657380001597634
Energy: 1.0156836776692586
Energy: 1.0841044547455354
Energy: 1.0103404477627242
Energy: 1.0106845905352764
Energy: 1.0723351321651708
Energy: 1.0657380001597634
Energy: 1.0156836776692586
Energy: 1.0063801563433061
Energy: 1.0528790718446517
Energy: 1.0262214959948066
Energy: 0.9892028354810717
Energy: 1.0100901197055137
Energy: 0.9807416829250343
Energy: 1.0063801563433061
Energy: 1.0528790718457275
Energy: 1.0262214959948066
Energy: 0.9892028354810717
Energy: 1.0860571977730462
Energy: 0.9770631038780332
Energy: 1.0428905933558312
Energy: 1.0569648997376389
Energy: 1.0428257509378276
Energy: 0.9760698739709049
Energy: 1.0860573997958938
Energy: 0.9770631038780332
Energy: 1.0428905933558312
Energy: 1.0569648997376389

minimum gb energy = 0.9757464615379788 eV
minimum distance =  2.28961620354573 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.467685493845066
Energy: 0.9243054475102824
Energy: 0.9388113163614444
Energy: 1.0184580393307578
Energy: 0.9381676604626652
Energy: 0.9217230005015977
Energy: 1.467685493845483
Energy: 0.9243054475111173
Energy: 0.9388113163614444
Energy: 0.9953538855646532
Energy: 0.9363067241151197
Energy: 0.9704842084709524
Energy: 0.9419780835587905
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Energy: 0.9363067241147022
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Energy: 0.9419780835583731
Energy: 0.917015239706548
Energy: 0.9324407015520229
Energy: 0.9328188676814432
Energy: 0.9699466097029972
Energy: 0.9318437165587872
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Energy: 0.9699466097017451
Energy: 0.9318437165583698
Energy: 0.968277277809937
Energy: 0.9066956978275934
Energy: 0.9252483499534188
Energy: 0.9658460970011625
Energy: 0.9531724332528527
Energy: 0.9383580216352659
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Energy: 0.9385493553304916
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Energy: 0.8894611228124506
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Energy: 0.9724548457987763
Energy: 0.8913202106459218
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Energy: 0.9276062822575716
Energy: 1.0589029634070593
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Energy: 0.9076895570651418
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Energy: 0.9209381382974333
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Energy: 0.8929364770015824
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Energy: 1.0253570755725518
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Energy: 0.9715976797010075
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Energy: 0.9262195178404315
Energy: 0.9382913080843232
Energy: 0.9715976796476171
Energy: 0.9084849833994687
Energy: 0.9706359238630449
Energy: 0.9386202543475376
Energy: 0.9193463243490966
Energy: 0.9816347624752827
Energy: 0.9132015778662176
Energy: 0.9084849833986339
Energy: 0.9706359240019666
Energy: 0.9386202543475376
Energy: 0.9193463243495139
Energy: 0.9323031402350904
Energy: 0.9345240729875357
Energy: 0.9707214278897788
Energy: 0.9349059031109264
Energy: 0.9386261956842598
Energy: 1.0194611877085182
Energy: 0.9323031402350904
Energy: 0.9345240729875357
Energy: 0.9707214278897788
Energy: 0.9349059031105089
Energy: 0.9702582860687007
Energy: 0.8904587681379473
Energy: 0.9719346604927864
Energy: 0.9337293479883111
Energy: 0.9271878002801518
Energy: 0.9402373163776171
Energy: 0.9702582860812231
Energy: 0.89045876813753
Energy: 0.971934660492369
Energy: 0.9337293479883111
Energy: 0.8995186595769726
Energy: 1.3416871757187874
Energy: 0.925536426160581
Energy: 0.9390028287741143
Energy: 0.9694360167263232
Energy: 0.9379861944727229
Energy: 0.8995186595765553
Energy: 1.3416871757187874
Energy: 0.9255364261601635
Energy: 0.9390028287736968
Energy: 0.9161853109221235
Energy: 0.8918607193896302
Energy: 0.9701484700470436
Energy: 0.9423986469046453
Energy: 0.9181411923145882
Energy: 0.9654311282293315
Energy: 0.9161853109221235
Energy: 0.8918607193900476
Energy: 0.9701484700466263
Energy: 0.9423986469046453
Energy: 0.9695924177215681
Energy: 0.9341268446785037
Energy: 0.9329077991740085
Energy: 1.0122215937177776
Energy: 0.9323310832507093
Energy: 0.9318368996650256
Energy: 0.9695924177211507
Energy: 0.9341268446780863
Energy: 0.9329077991740085
Energy: 1.012221593718195
Energy: 0.937708362666819
Energy: 1.0431568033240903
Energy: 0.9284852631214005
Energy: 0.9204640334057872
Energy: 0.9658051800240766
Energy: 0.9269934123624809
Energy: 0.937708362666819
Energy: 1.0431568033232554
Energy: 0.9284852631209831
Energy: 0.9204640334057872
Energy: 0.9382757714939097
Energy: 0.9544580041688756
Energy: 1.4043098669061664
Energy: 0.9129422348330186
Energy: 0.9384379962238009
Energy: 1.0143087479047659
Energy: 0.9382757714943272
Energy: 0.9544580041692929
Energy: 1.4043098669061664
Energy: 0.9129422348338534
Energy: 0.964392099116862
Energy: 1.0186852986404014
Energy: 0.9096572348546939
Energy: 0.970296631525815
Energy: 0.9419229528175043
Energy: 0.9276645114570614
Energy: 0.964392099116862
Energy: 1.0186852986399841
Energy: 0.9096572348542764
Energy: 0.970296631525815
Energy: 0.9343464105299076
Energy: 1.0211852768481595
Energy: 0.9336823919125373
Energy: 0.9280575963604352
Energy: 0.9855328785764235
Energy: 0.933082935993044
Energy: 0.934346410530325
Energy: 1.021185276847742
Energy: 0.9336823919125373
Energy: 0.9280575963604352
Energy: 0.9612924898160922
Energy: 0.9386151310606555
Energy: 1.0260999955113954
Energy: 0.9221901921932151
Energy: 0.9191805042245771
Energy: 0.9827634311608433
Energy: 0.9612924898165095
Energy: 0.9386151310606555
Energy: 1.0260999955109777
Energy: 0.9221901921936325
Energy: 1.0738513169130446
Energy: 0.938652056099287
Energy: 0.9093756067280324
Energy: 0.8931347307189497
Energy: 0.9221097208734318
Energy: 0.9237793409002963
Energy: 1.0738513169134623
Energy: 0.9386520560988697
Energy: 0.9093756067280324
Energy: 0.8931347307193671
Energy: 0.9319542539946428
Energy: 0.936485695790063
Energy: 0.9846022329321055
Energy: 0.8905347157611714
Energy: 1.0127352840719046
Energy: 0.947046640206129
Energy: 0.9319542539950604
Energy: 0.9364856957896457
Energy: 0.9846022329321055
Energy: 0.8905347157611714

minimum gb energy = 0.8655652932076339 eV
minimum distance =  2.34380402131776 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 1.3198684856578717
Energy: 1.0365795583196336
Energy: 1.1651794171112053
Energy: 1.32722715124626
Energy: 1.164659067575413
Energy: 1.0074260886082076
Energy: 1.3198684856578717
Energy: 1.0365795583196336
Energy: 1.1651794171112053
Energy: 1.3730711554654116
Energy: 1.075583526166721
Energy: 1.201370284793965
Energy: 1.0040303500748522
Energy: 1.007150460865288
Energy: 1.029829929320587
Energy: 1.1094746135368443
Energy: 1.0755835253955628
Energy: 1.201370284793965
Energy: 1.0040303500748522
Energy: 1.0071504608647923
Energy: 1.0058048045998527
Energy: 1.0296745268642957
Energy: 1.2947235582962477
Energy: 1.1950238299637144
Energy: 1.0308760736982334
Energy: 1.0404853947590387
Energy: 1.0058048045998527
Energy: 1.0296745268638001
Energy: 1.2947235582962477
Energy: 1.1950238299637144
Energy: 1.1443027256113496
Energy: 1.0301976961681012
Energy: 1.0102078349122874
Energy: 1.0067676676118875
Energy: 1.0237863979184494
Energy: 1.0328817375920891
Energy: 1.1443027256108542
Energy: 1.0301976961681012
Energy: 1.010207834912783
Energy: 1.0067676676118875
Energy: 0.9918829473356189
Energy: 1.0037373329946626
Energy: 1.0130962664943475
Energy: 1.0181194177748862
Energy: 1.2415227679225553
Energy: 1.160981067734975
Energy: 0.9918829473351234
Energy: 1.0037373329946626
Energy: 1.0130962664943475
Energy: 1.0181194177753818
Energy: 1.022227602411582
Energy: 1.165436494446454
Energy: 1.0520564005915567
Energy: 1.031418472342867
Energy: 1.010354962422326
Energy: 1.0792535621278898
Energy: 1.0222276024120773
Energy: 1.165436494446454
Energy: 1.042699045564198
Energy: 1.031418472342867
Energy: 1.031073763231322
Energy: 1.0528994230138926
Energy: 1.1650411228770892
Energy: 1.0236221226949116
Energy: 1.069841601315835
Energy: 1.0056922849556214
Energy: 1.031073763231322
Energy: 1.0702674803876002
Energy: 1.1650411228770892
Energy: 1.023622122694416
Energy: 0.9955888542735494
Energy: 1.100374777034912
Energy: 1.003983691716636
Energy: 0.9981589817894444
Energy: 1.1610659860202277
Energy: 1.21554741126125
Energy: 0.9955888542740448
Energy: 1.100374777034912
Energy: 1.003983691716636
Energy: 0.9981589817894444
Energy: 1.0064624563122222
Energy: 1.0061684339128676
Energy: 1.0301866449269401
Energy: 1.2464257564695689
Energy: 1.058769383558231
Energy: 1.0183128147348401
Energy: 1.0064624563122222
Energy: 1.0061684339128676
Energy: 1.0301866449269401
Energy: 1.2464257565953323
Energy: 1.2010158199207281
Energy: 1.3483690263480375
Energy: 1.0299300011328076
Energy: 1.0349190142876024
Energy: 1.0287602744627964
Energy: 1.0303737879838881
Energy: 1.2010158199207281
Energy: 1.348369026347542
Energy: 1.0299300011328076
Energy: 1.0349190142876024
Energy: 1.0068397778152713
Energy: 1.0039862192373523
Energy: 1.042216453877179
Energy: 1.04318246631728
Energy: 1.0829333214431365
Energy: 1.0301097952100697
Energy: 1.0068397778152713
Energy: 1.0039862192373523
Energy: 1.042216453877179
Energy: 1.04318246631728
Energy: 1.332042495118227
Energy: 1.163492351874331
Energy: 1.0069433041466052
Energy: 1.2444487005352316
Energy: 1.0125919088549447
Energy: 1.1651794171112053
Energy: 1.3502938396110418
Energy: 1.1634923518738356
Energy: 0.9967976878536594
Energy: 1.2444487005352316
Energy: 1.007150460865288
Energy: 1.029829929319596
Energy: 1.0829333214431365
Energy: 1.0474684782446553
Energy: 1.201370284793965
Energy: 1.0040303500748522
Energy: 1.007150460865288
Energy: 1.0298299293191004
Energy: 1.0829333214411545
Energy: 1.0474684782456463
Energy: 1.1640461881780624
Energy: 1.0308760736982334
Energy: 1.0230649170835766
Energy: 1.005804804599357
Energy: 1.0297877848534427
Energy: 1.3483690263485328
Energy: 1.1640461881790531
Energy: 1.030876073697738
Energy: 1.0230649170835766
Energy: 1.005804804599357
Energy: 1.0068914513423404
Energy: 0.9950245500163343
Energy: 1.057690760165644
Energy: 1.0867910006833315
Energy: 1.0298922452150383
Energy: 1.01001017448403
Energy: 1.0068914513423404
Energy: 0.9950245500163343
Energy: 1.057690760164653
Energy: 1.0867910006838268
Energy: 1.0181194177719135
Energy: 1.2202277809805877
Energy: 1.160979565312013
Energy: 0.9918829473351234
Energy: 1.0037373329946626
Energy: 1.0130962664943475
Energy: 1.0181194177719135
Energy: 1.2202277809791011
Energy: 1.1609795653115176
Energy: 0.9918829473356189
Energy: 1.031418472342867
Energy: 1.0042022447042498
Energy: 1.0353742191683324
Energy: 1.014254955534052
Energy: 1.1654364944459585
Energy: 1.0502672974301925
Energy: 1.031418472342867
Energy: 1.0042022447042498
Energy: 1.0353742191673414
Energy: 1.0142549555345475
Energy: 1.012290546604491
Energy: 1.069841601315835
Energy: 1.0056922849551257
Energy: 1.0312845984215606
Energy: 1.0940417951371295
Energy: 1.090372006482474
Energy: 1.0122905466049865
Energy: 1.069841601315835
Energy: 1.0056922849551257
Energy: 1.0312845984215606
Energy: 0.9981589817894444
Energy: 1.161065986020723
Energy: 1.2155474112622413
Energy: 0.9955888542735494
Energy: 1.0114373154745806
Energy: 1.0039186767389192
Energy: 0.9981589817894444
Energy: 1.1610659860202277
Energy: 1.21554741126125
Energy: 0.9955888542740448
Energy: 1.2464257506516476
Energy: 1.058769383558231
Energy: 1.0183128147343448
Energy: 1.0064624563127176
Energy: 1.0061684339128676
Energy: 1.0301866449274355
Energy: 1.246425748988522
Energy: 1.058769383559222
Energy: 1.0183128147338492
Energy: 1.0064624563127176
Energy: 1.0179510988388907
Energy: 1.0287602744627964
Energy: 1.0302940284891513
Energy: 1.2010158199207281
Energy: 1.2947235582962477
Energy: 1.0299300011328076
Energy: 1.0179510988398817
Energy: 1.0287602744627964
Energy: 1.030294028488656
Energy: 1.2010158199207281
Energy: 1.2001742062692193
Energy: 1.1094746135372948
Energy: 1.0298586331613022
Energy: 1.0104947138040763
Energy: 1.0038803996820775
Energy: 1.153748575052221
Energy: 1.2001742062687235
Energy: 1.1094746135372948
Energy: 1.0298586331613022
Energy: 1.0104947138045717
Energy: 1.3198684856578717
Energy: 1.0365795583196336
Energy: 1.165179417111701
Energy: 1.371375342553893
Energy: 1.164659067575413
Energy: 0.9789850217323737
Energy: 1.3198684856578717
Energy: 1.0365795583196336
Energy: 1.16517941711071
Energy: 1.3713753305208953
Energy: 1.0755835355668797
Energy: 1.201370284793469
Energy: 1.0040303500748522
Energy: 1.007150460865288
Energy: 1.0298299293200914
Energy: 1.1094746135368443
Energy: 1.0755835363102908
Energy: 1.201370284793965
Energy: 1.0040303500748522
Energy: 1.0071504608647923
Energy: 1.005804804599357
Energy: 1.0296745268638001
Energy: 1.2947235582962477
Energy: 1.195023829963219
Energy: 1.030876073697738
Energy: 1.040485394759534
Energy: 1.005804804599357
Energy: 1.0296745268642957
Energy: 1.2947235582962477
Energy: 1.195023829963219
Energy: 1.1443027256113496
Energy: 1.0301976961681012
Energy: 1.010207834912783
Energy: 1.0067676676118875
Energy: 1.0237863979193953
Energy: 1.0328817375925845
Energy: 1.1443027256103586
Energy: 1.0301976961681012
Energy: 1.0102078349132786
Energy: 1.0067676676118875
Energy: 0.9918829473346279
Energy: 1.003737332994167
Energy: 1.013096266493852
Energy: 1.0181194177729045
Energy: 1.2415227679225553
Energy: 1.1609810677344794
Energy: 0.9918829473351234
Energy: 1.003737332994167
Energy: 1.013096266493852
Energy: 1.0181194177729045
Energy: 1.005885191765807
Energy: 1.1654364944469493
Energy: 1.0426990455646936
Energy: 1.031418472342867
Energy: 1.0103549624228214
Energy: 1.0792535621273944
Energy: 1.0058851917663025
Energy: 1.165436494446454
Energy: 1.0426990455646936
Energy: 1.031418472342867
Energy: 1.031073763231322
Energy: 1.0702674803876002
Energy: 1.1650411228770892
Energy: 1.0318164181688367
Energy: 1.0698416013163303
Energy: 1.0056922849556214
Energy: 1.031073763231322
Energy: 1.0702674803880958
Energy: 1.1650411228770892
Energy: 1.0318164181688367
Energy: 0.9955888542730539
Energy: 1.100374777034912
Energy: 1.003983691716636
Energy: 0.9981589817894444
Energy: 1.161065986020723
Energy: 1.215547411261746
Energy: 0.9955888542725584
Energy: 1.100374777035903
Energy: 1.003983691717627
Energy: 0.9981589817899399
Energy: 1.0064624563127176
Energy: 1.0061684339128676
Energy: 1.0301866449274355
Energy: 1.2464257427674994
Energy: 1.0587693835597174
Energy: 1.0183128147338492
Energy: 1.0064624563127176
Energy: 1.0061684339128676
Energy: 1.0301866449274355
Energy: 1.2464257414515754
Energy: 1.2010158199207281
Energy: 1.3483690263470465
Energy: 1.0299300011328076
Energy: 1.0349190142876024
Energy: 1.028760274463292
Energy: 1.0303737879824015
Energy: 1.2010158199202325
Energy: 1.3483690263470465
Energy: 1.0299300011328076
Energy: 1.0349190142876024
Energy: 1.0068397778147757
Energy: 1.0039862192373523
Energy: 1.0422164538766834
Energy: 1.0431824663167844
Energy: 1.0829333214431365
Energy: 1.0301097952095741
Energy: 1.0068397778147757
Energy: 1.0039862192373523
Energy: 1.042216453877179
Energy: 1.0431824663167844

minimum gb energy = 0.9789850217323737 eV
minimum distance =  2.28519082610012 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.191751548239782
Energy: 1.074696501909196
Energy: 1.0010114960096157
Energy: 1.2411188540958187
Energy: 1.0463205105435849
Energy: 1.072090089625701
Energy: 1.1917515482403256
Energy: 1.074696501908924
Energy: 1.0010114960104315
Energy: 1.256088132089463
Energy: 1.2624199034853116
Energy: 1.061909405037951
Energy: 1.2128714142150954
Energy: 1.0118991537636597
Energy: 1.0270115945287044
Energy: 1.0549494852733863
Energy: 1.2624199034853116
Energy: 1.0619094050507354
Energy: 1.2128714142150954
Energy: 1.0118991537639317
Energy: 1.0905303003391886
Energy: 1.005427394252943
Energy: 1.0573942555776719
Energy: 1.18597119460185
Energy: 1.0274440899811559
Energy: 1.0011011190957126
Energy: 1.0905303003389166
Energy: 1.0054273942526708
Energy: 1.0573942611516443
Energy: 1.185971194602122
Energy: 1.028694078809512
Energy: 1.005604005649067
Energy: 1.0191092734457416
Energy: 1.1917403455083815
Energy: 1.04504489650785
Energy: 1.2956227580939776
Energy: 1.028694078809512
Energy: 1.0056040056487952
Energy: 1.0191092734449256
Energy: 1.191740345508925
Energy: 1.0009143575423625
Energy: 1.0055695861600724
Energy: 1.0457026675759709
Energy: 1.2978793628583025
Energy: 1.0378543812818801
Energy: 1.1895306758462338
Energy: 1.0009143575426345
Energy: 1.0055695861598002
Energy: 1.0457026674993137
Energy: 1.2978793628585747
Energy: 1.1525707413564068
Energy: 1.005380216601105
Energy: 1.020407077827485
Energy: 1.0007028008765373
Energy: 1.0276765993806425
Energy: 1.2562074962251482
Energy: 1.1525707413555906
Energy: 1.005380216601105
Energy: 1.0204070778277572
Energy: 1.0007028008768095
Energy: 1.212701898254421
Energy: 1.041078881650459
Energy: 1.2983876030420207
Energy: 1.0463037426843398
Energy: 1.0273306399751139
Energy: 1.01424383587247
Energy: 1.2127018982538769
Energy: 1.0410788816509784
Energy: 1.2983876030422927
Energy: 1.0463037426846118
Energy: 1.0261436652919662
Energy: 1.112067278235329
Energy: 1.1431202558548776
Energy: 0.997941374265896
Energy: 1.0013489171032948
Energy: 1.0663637916711681
Energy: 1.0261436652922382
Energy: 1.112067278235329
Energy: 1.1431202558548776
Energy: 0.99794137426508
Energy: 1.0680395207997115
Energy: 1.0045726632453673
Energy: 1.3096778836652379
Energy: 1.0619372288374083
Energy: 1.0098574239550848
Energy: 1.0115504774174335
Energy: 1.0680395207997115
Energy: 1.0045726632456393
Energy: 1.30967788366551
Energy: 1.0619372287873834
Energy: 1.0269627341564
Energy: 1.0002664174516867
Energy: 1.090658497840097
Energy: 1.0054368340660438
Energy: 1.0477770804128101
Energy: 1.3035956166443436
Energy: 1.026962734156672
Energy: 1.0002664174519584
Energy: 1.090658497840097
Energy: 1.0054368340655
Energy: 1.0743754556244847
Energy: 1.013147297004167
Energy: 1.1793303519790095
Energy: 1.0058042511133476
Energy: 1.0340506233021125
Energy: 1.1909787213456742
Energy: 1.0743754556242124
Energy: 1.013147297004167
Energy: 1.1793303519790095
Energy: 1.0058042511133476
Energy: 1.0335458805575093
Energy: 1.1897189081656283
Energy: 1.0012819888246567
Energy: 1.005457781360229
Energy: 1.0575417907291735
Energy: 1.3230150006806012
Energy: 1.0335458805575093
Energy: 1.1897189081653563
Energy: 1.0012819888246567
Energy: 1.005457781360229
Energy: 1.028447440792982
Energy: 1.0135078571122116
Energy: 1.1843464208512091
Energy: 1.0056028135496433
Energy: 1.036757951363717
Energy: 1.0007065076735562
Energy: 1.0284474407932538
Energy: 1.0135078571344913
Energy: 1.1843464208509373
Energy: 1.0056028135490995
Energy: 1.0279350209277358
Energy: 1.0283443689836347
Energy: 1.2122811321583902
Energy: 1.076065983644212
Energy: 1.293601297183028
Energy: 1.0528942405586668
Energy: 1.0279350209277358
Energy: 1.0283443689836347
Energy: 1.2122811321583902
Energy: 1.076065983642308
Energy: 1.0458913150775853
Energy: 1.0340912132217481
Energy: 1.000264780327279
Energy: 1.1328215773704595
Energy: 1.1644627086928045
Energy: 0.9987036659514769
Energy: 1.0458913150775853
Energy: 1.034091213222292
Energy: 1.000264780326735
Energy: 1.1328215773699153
Energy: 1.0053766927486099
Energy: 1.0127642490383775
Energy: 1.068985397559827
Energy: 1.0045254008774136
Energy: 1.007244948886091
Energy: 1.0427929100029913
Energy: 1.005376692749426
Energy: 1.0127642490383775
Energy: 1.0689853975600991
Energy: 1.0045254008774136
Energy: 1.0465993759079593
Energy: 1.2604459025456216
Energy: 1.0254899994957316
Energy: 1.0005856943620524
Energy: 0.9786040871677679
Energy: 1.0082410435552274
Energy: 1.0465993759065995
Energy: 1.2604459025453498
Energy: 1.0254899994957316
Energy: 1.0005856943623244
Energy: 1.0339075387132348
Energy: 1.1907711094489726
Energy: 1.0724644762630788
Energy: 1.0127217882168478
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Energy: 1.0542296208987352
Energy: 1.0861319603549773
Energy: 1.1058654625020023
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Energy: 1.0290306301493315
Energy: 0.9941681821352589
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Energy: 1.2065391621987922
Energy: 1.1058654625022744
Energy: 1.0332406725503456
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Energy: 0.9941681821355309
Energy: 1.2125573024770904
Energy: 1.0446692782070737
Energy: 1.3853805393490444
Energy: 1.2278503211952831
Energy: 1.0147219928329558
Energy: 0.9965396173064334
Energy: 1.2125573024770904
Energy: 1.0446692782065297
Energy: 1.3853805393485001
Energy: 1.2278503211952831
Energy: 1.0475103505283545
Energy: 1.051413144254201
Energy: 0.9868898149255829
Energy: 1.00395580833004
Energy: 1.0322903127442091
Energy: 1.1337946264111705
Energy: 1.0475103505280827
Energy: 1.0514131442544732
Energy: 0.9868898149258549
Energy: 1.00395580833004
Energy: 1.0384825888657967
Energy: 1.0136632175622435
Energy: 1.006801365099348
Energy: 1.0043710761578533
Energy: 1.0218703677380994
Energy: 1.0365296243762534
Energy: 1.0384825888663407
Energy: 1.0136632175622435
Energy: 1.0068013651001637
Energy: 1.0043710761578533
Energy: 1.0443801216663535
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Energy: 0.9897103595235079
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Energy: 1.2043770338251267
Energy: 1.4060839739325135
Energy: 1.0443801216671695
Energy: 1.1906810962663623
Energy: 0.9897103595232358
Energy: 1.017707163850349

minimum gb energy = 0.9786040871677679 eV
minimum distance =  2.28089371390295 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.8826910926299637
Energy: 0.9497851848849265
Energy: 0.8826897263366209
Energy: 1.6131755986328016
Energy: 0.8817727456005509
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Energy: 0.9209895796331035
Energy: 1.1385243783724048
Energy: 0.8817790034098587
Energy: 0.8813944050327441
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Energy: 0.9499613241431359
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Energy: 0.8817790034098587
Energy: 0.8944834112085353
Energy: 0.8818356601391509
Energy: 0.9215917789643155
Energy: 0.8811321835568865
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Energy: 0.8319406490013121
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Energy: 0.8329122214913904
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Energy: 0.8811321835568865
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Energy: 0.8319406490013121
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Energy: 0.8325682378635436
Energy: 0.9462999849164923
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Energy: 0.9208001955332793
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Energy: 0.9199092143143177
Energy: 0.8325682378635436
Energy: 0.9462999849164923
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Energy: 0.9497925019406843
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Energy: 0.8808376775820053
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Energy: 0.9497476346012432
Energy: 0.9497925019406843
Energy: 1.0723070222309574
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Energy: 0.9466053895049401
Energy: 0.8325034113864498
Energy: 0.9198862912612543
Energy: 0.9392895596726252
Energy: 0.9208519571317546
Energy: 0.8319669846040267
Energy: 0.9466053895067403
Energy: 0.8325034113864498
Energy: 0.9198862912612543
Energy: 0.8319201211827479
Energy: 0.9201822795257517
Energy: 0.8809623135719306
Energy: 0.9214847708496673
Energy: 0.8322978720329379
Energy: 0.9462169725968023
Energy: 0.8319201211827479
Energy: 0.9201822795257517
Energy: 0.8809623135719306
Energy: 0.9214847708496673
Energy: 0.8818277371244415
Energy: 0.9320951426902851
Energy: 0.8817674745670558
Energy: 0.9776004912649625
Energy: 0.9988234989292891
Energy: 0.950127669835986
Energy: 0.8818277371226413
Energy: 0.9807658515167941
Energy: 0.8817674745670558
Energy: 0.9776004912649625

minimum gb energy = 0.8319139913662306 eV
minimum distance =  2.30757503660355 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.2228013144187828
Energy: 1.2195676552958221
Energy: 1.1138996490080526
Energy: 1.3889576125350904
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Energy: 1.1523700814609228
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Energy: 1.1145727453500343
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Energy: 1.1947839388117567
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Energy: 1.1917809589351498
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Energy: 1.2032651852644682
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Energy: 1.1559624296711448
Energy: 1.364496814277743
Energy: 1.1437830410212566
Energy: 1.1111871562666293
Energy: 1.146631580148592
Energy: 1.1298033317078278
Energy: 1.184767638801871
Energy: 1.100730265071484
Energy: 1.182402381565543
Energy: 1.1111871562666293
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minimum gb energy = 1.0993212541145316 eV
minimum distance =  2.29376812228577 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.184667347922629
Energy: 1.0634581300614296
Energy: 1.2372305169102829
Energy: 1.0847636700740553
Energy: 1.2311165713655086
Energy: 1.1661306696055422
Energy: 1.0635999461295993
Energy: 1.2119265055606012
Energy: 1.1777571337301065
Energy: 1.147854478045225
Energy: 1.15097352340039
Energy: 1.2701257173457716
Energy: 1.0635999461307821
Energy: 1.2119265055606012
Energy: 1.1777571337301065
Energy: 1.147854478045225
Energy: 1.2174870840437386
Energy: 1.2274314354879028
Energy: 1.1493678667152387
Energy: 1.4238182299293
Energy: 1.1492769291976952
Energy: 1.1462597379272792
Energy: 1.2174870840437386
Energy: 1.227431435478144
Energy: 1.1493678667152387
Energy: 1.4238182299297069
Energy: 1.063499729935602
Energy: 1.2705458670490832
Energy: 1.1508397595598276
Energy: 1.1482928906447962
Energy: 1.177764029254756
Energy: 1.211904104394551
Energy: 1.0634997299360087
Energy: 1.270545867048677
Energy: 1.1508397595602344
Energy: 1.1482928906447962
Energy: 1.2578864910105265
Energy: 1.0632284636350204
Energy: 1.1846589286181823
Energy: 1.1661448435089292
Energy: 1.2369048937384224
Energy: 1.0847344593299717
Energy: 1.2578864910105265
Energy: 1.0632284636370535
Energy: 1.1846589286181823
Energy: 1.1661448435085224
Energy: 1.2711833732313507
Energy: 1.1127254594382967
Energy: 1.1239338249603485
Energy: 1.1652961781376012
Energy: 1.2057629330601378
Energy: 1.166730460879861
Energy: 1.271183373230944
Energy: 1.1127254594382967
Energy: 1.123933824959942
Energy: 1.1652961781376012
Energy: 1.1226393967409236
Energy: 1.2510545743519406
Energy: 1.2142135403920828
Energy: 1.1608628409404471
Energy: 1.3029389730095098
Energy: 1.1056801301133505
Energy: 1.1226393967409236
Energy: 1.2510545743519406
Energy: 1.2142135403920828
Energy: 1.1608628409404471
Energy: 1.1223121004046968
Energy: 1.1230180301316528
Energy: 1.1466184521683316
Energy: 1.3058787795122258
Energy: 1.180157331859322
Energy: 1.262881154203786
Energy: 1.1223121004051033
Energy: 1.1230180301316528
Energy: 1.1466184521683316
Energy: 1.3058787795122258
Energy: 1.1637997088194378
Energy: 1.200560356631194
Energy: 1.1777767724705754
Energy: 1.414282730042101
Energy: 1.1070315968077942
Energy: 1.2484257877697273
Energy: 1.1637997088194378
Energy: 1.200560356631194
Energy: 1.1777767724705754
Energy: 1.4142827300416942
Energy: 1.1657107700798686
Energy: 1.1990774793268233
Energy: 1.1992005126224723
Energy: 1.1657705595301637
Energy: 1.104188680340482
Energy: 1.1042447696844964
Energy: 1.1657107700818645
Energy: 1.1990774793268233
Energy: 1.1992005126228789
Energy: 1.1657705595289438
Energy: 1.4139180239326647
Energy: 1.177778355284863
Energy: 1.200731907279657
Energy: 1.1637596605761167
Energy: 1.248389903123271
Energy: 1.1067995124901935
Energy: 1.4139180239326647
Energy: 1.177778355284863
Energy: 1.2007319072800637
Energy: 1.1637596605761167
Energy: 1.3058242786511496
Energy: 1.146265201805989
Energy: 1.1229330674407958
Energy: 1.1223495856733252
Energy: 1.2601934430566795
Energy: 1.1799169826425224
Energy: 1.3058242786507432
Energy: 1.1462652018055821
Energy: 1.1229330674407958
Energy: 1.122349585673732
Energy: 1.1606437092441175
Energy: 1.2142070601027943
Energy: 1.2510545743519406
Energy: 1.1225948653873092
Energy: 1.1057231481798027
Energy: 1.3029389730099163
Energy: 1.1606437092437107
Energy: 1.2142070601023875
Energy: 1.2510545743523473
Energy: 1.1225948653873092
Energy: 1.165339345044783
Energy: 1.1240774172921315
Energy: 1.1129143800214063
Energy: 1.271177969472296
Energy: 1.166680117166247
Energy: 1.2055992016773016
Energy: 1.165339345044783
Energy: 1.1240774172921315
Energy: 1.1129143800218129
Energy: 1.271177969472296

minimum gb energy = 1.0632284636350204 eV
minimum distance =  2.27926782843582 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.8892727322249555
Energy: 1.160619417676842
Energy: 0.9612268157847657
Energy: 1.4864549551339987
Energy: 0.9613486566978205
Energy: 1.0000808899863705
Energy: 0.8892727322249555
Energy: 1.1606194176797815
Energy: 0.9612268157847657
Energy: 1.2574217101015799
Energy: 0.9617000962155998
Energy: 1.477729055088533
Energy: 0.9613589467088719
Energy: 1.113760973381249
Energy: 1.20868176588388
Energy: 0.9617284463251861
Energy: 0.9617000962148649
Energy: 1.4879080124642041
Energy: 0.9613589467088719
Energy: 1.005144562513832
Energy: 1.0001863723968907
Energy: 0.8892520389473278
Energy: 1.2195142057037933
Energy: 0.8890072734385018
Energy: 0.9991358468011393
Energy: 0.9611967209169879
Energy: 1.0001863723968907
Energy: 0.8892520389473278
Energy: 1.2195142057037933
Energy: 0.8890072734377669
Energy: 1.219323570750055
Energy: 0.8892398558653033
Energy: 1.000073087002013
Energy: 0.9612092261740566
Energy: 0.9991702775532143
Energy: 0.8889652349734718
Energy: 1.21932357074932
Energy: 0.8892398558653033
Energy: 1.000073087002013
Energy: 0.9612092261740566
Energy: 0.9613732931741297
Energy: 1.4879080124642041
Energy: 0.961739838322294
Energy: 0.9616284940155714
Energy: 1.2086178061507056
Energy: 1.242662901055464
Energy: 0.9613732931741297
Energy: 1.339221670743533
Energy: 0.961739838323029
Energy: 0.9616284940155714
Energy: 0.9613486566978205
Energy: 1.1409735372166214
Energy: 0.8892727322249555
Energy: 1.1606194176783116
Energy: 0.9612268157847657
Energy: 1.3466278473248217
Energy: 0.9613486566978205
Energy: 1.0000808899871054
Energy: 0.8892727322249555
Energy: 1.1606194176761067
Energy: 1.20868176588388
Energy: 0.9617284463251861
Energy: 0.9617000962155998
Energy: 1.477729055088533
Energy: 0.9613589467088719
Energy: 1.113760973381249
Energy: 1.20868176588388
Energy: 0.9617284463251861
Energy: 0.9617000962155998
Energy: 1.4879080124627342
Energy: 0.9991358468011393
Energy: 0.9611967209169879
Energy: 1.0001863723961557
Energy: 0.8892520389480628
Energy: 1.219514205704528
Energy: 0.8890072734377669
Energy: 0.9991358468011393
Energy: 0.9611967209169879
Energy: 1.0001863723968907
Energy: 0.8892520389473278
Energy: 0.9991702775539493
Energy: 0.8889652349734718
Energy: 1.21932357074932
Energy: 0.8892398558653033
Energy: 1.0000730870012782
Energy: 0.9612092261740566
Energy: 0.9991702775532143
Energy: 0.8889652349742068
Energy: 1.21932357074932
Energy: 0.8892398558653033
Energy: 1.2086178061507056
Energy: 1.242662901054729
Energy: 0.9613732931741297
Energy: 1.4760526872269844
Energy: 0.961739838322294
Energy: 0.9616284940148365
Energy: 1.2086178061507056
Energy: 1.242662901055464
Energy: 0.9613732931741297
Energy: 1.3392216707427984
Energy: 0.9612268157847657
Energy: 1.2518846484316082
Energy: 0.9613486566978205
Energy: 1.0362650575317074
Energy: 0.8892727322249555
Energy: 1.1606194176761067
Energy: 0.9612268157855006
Energy: 1.2854448640534473
Energy: 0.9613486566978205
Energy: 1.0000808899863705
Energy: 0.9613589467088719
Energy: 1.113760973381249
Energy: 1.20868176588388
Energy: 0.9617284463251861
Energy: 0.9617000962148649
Energy: 1.477729055088533
Energy: 0.9613589467088719
Energy: 1.0051445625130968
Energy: 1.20868176588388
Energy: 0.9617284463244512
Energy: 1.219514205704528
Energy: 0.8890072734385018
Energy: 0.9991358468011393
Energy: 0.9611967209169879
Energy: 1.0001863723976256
Energy: 0.8892520389480628
Energy: 1.219514205704528
Energy: 0.8890072734385018
Energy: 0.9991358468011393
Energy: 0.9611967209169879
Energy: 1.0000730870012782
Energy: 0.9612092261740566
Energy: 0.9991702775539493
Energy: 0.8889652349749416
Energy: 1.2193235707485852
Energy: 0.8892398558653033
Energy: 1.000073087002013
Energy: 0.9612092261740566
Energy: 0.9991702775524793
Energy: 0.8889652349734718
Energy: 0.961739838322294
Energy: 0.9616284940155714
Energy: 1.2086178061507056
Energy: 1.242662901055464
Energy: 0.9613732931741297
Energy: 1.4879080124642041
Energy: 0.961739838323029
Energy: 0.9616284940155714
Energy: 1.2086178061507056
Energy: 1.242662901054729
Energy: 0.8892727322249555
Energy: 1.1606194176753721
Energy: 0.9612268157847657
Energy: 1.4512518771761058
Energy: 0.9613486566978205
Energy: 1.0000808899863705
Energy: 0.8892727322249555
Energy: 1.1606194176746372
Energy: 0.9612268157847657
Energy: 1.4864549551339987
Energy: 0.9617000962155998
Energy: 1.2001102979981122
Energy: 0.9613589467088719
Energy: 1.005144562513832
Energy: 1.20868176588388
Energy: 0.9617284463251861
Energy: 0.9617000962155998
Energy: 1.4879080124627342
Energy: 0.9613589467088719
Energy: 1.005144562513832
Energy: 1.0001863723968907
Energy: 0.8892520389473278
Energy: 1.2195142057037933
Energy: 0.8890072734377669
Energy: 0.9991358468004045
Energy: 0.9611967209169879
Energy: 1.0001863723968907
Energy: 0.8892520389473278
Energy: 1.2195142057037933
Energy: 0.8890072734385018
Energy: 1.2193235707485852
Energy: 0.8892398558653033
Energy: 1.000073087002013
Energy: 0.9612092261740566
Energy: 0.9991702775532143
Energy: 0.8889652349742068
Energy: 1.219323570750055
Energy: 0.8892398558653033
Energy: 1.0000730870012782
Energy: 0.9612092261740566
Energy: 0.9613732931741297
Energy: 1.4879080124642041
Energy: 0.961739838322294
Energy: 0.9616284940148365
Energy: 1.2086178061507056
Energy: 1.242662901055464
Energy: 0.9613732931741297
Energy: 1.3392216707427984
Energy: 0.961739838323029
Energy: 0.9616284940148365
Energy: 0.9613486566978205
Energy: 1.0000808899871054
Energy: 0.8892727322249555
Energy: 1.1606194176761067
Energy: 0.9612268157847657
Energy: 1.317652268861449
Energy: 0.9613486566978205
Energy: 1.0000808899871054
Energy: 0.8892727322249555
Energy: 1.1606194176746372
Energy: 1.20868176588388
Energy: 0.961728446325921
Energy: 0.9617000962155998
Energy: 1.3284024734870012
Energy: 0.9613589467088719
Energy: 1.0051445625130968
Energy: 1.20868176588388
Energy: 0.9617284463251861
Energy: 0.9617000962155998
Energy: 1.3284024734870012

minimum gb energy = 0.8889652349734718 eV
minimum distance =  2.2800001018744 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.2206628792090133
Energy: 1.1639858245153842
Energy: 1.0869566458625426
Energy: 1.4367940156187626
Energy: 1.0869518956784723
Energy: 1.1351544434263663
Energy: 1.2206628792086802
Energy: 1.1639858245150512
Energy: 1.0869566458625426
Energy: 1.4212329177747403
Energy: 1.0935307138659045
Energy: 1.2654973610363454
Energy: 1.0846847091581588
Energy: 1.077752195835186
Energy: 1.0570929090805803
Energy: 1.0765817028565279
Energy: 1.0935307138665407
Energy: 1.2654973610363454
Energy: 1.0846847091581588
Energy: 1.077752195835186
Energy: 1.1233887961247926
Energy: 1.0046360656547195
Energy: 1.2149311213778493
Energy: 1.1024859410243786
Energy: 1.089481047462296
Energy: 1.1790723467083597
Energy: 1.1233887961244595
Energy: 1.0046360656547195
Energy: 1.2149311213778493
Energy: 1.1024859410243786
Energy: 1.1383354887827815
Energy: 1.0036239767360946
Energy: 1.0830345777789747
Energy: 1.1165002017917338
Energy: 1.1432318660656262
Energy: 1.0193761284535594
Energy: 1.1383354887827815
Energy: 1.0036239767354282
Energy: 1.0830345777783084
Energy: 1.1165002017920669
Energy: 1.0646203457792385
Energy: 1.1590716085779658
Energy: 1.0085382948272787
Energy: 1.1329271113335388
Energy: 1.0534595441317849
Energy: 1.0074906652440212
Energy: 1.0646203457792385
Energy: 1.161986648597694
Energy: 1.008538294827612
Energy: 1.132927111333872
Energy: 1.061561521382643
Energy: 1.1409856625268544
Energy: 1.177187125723418
Energy: 1.0774108233263489
Energy: 1.0580160475781553
Energy: 1.1646163328842245
Energy: 1.0615615213833092
Energy: 1.1409856625268544
Energy: 1.177187125723751
Energy: 1.077410823326682
Energy: 1.2425271229348194
Energy: 1.0703787771112614
Energy: 1.04605026477258
Energy: 1.0889181669878027
Energy: 1.12295120459066
Energy: 1.096315957206315
Energy: 1.2425271229348194
Energy: 1.0703787771112614
Energy: 1.046050264772247
Energy: 1.0889181669881358
Energy: 1.1602676823243336
Energy: 1.1881809691375003
Energy: 1.1760132595417512
Energy: 1.1132330139810238
Energy: 1.3540651156756525
Energy: 1.0940683524488723
Energy: 1.1602676823240006
Energy: 1.1881809691375003
Energy: 1.176013259541418
Energy: 1.1132330139810238
Energy: 1.0953497938915495
Energy: 1.1018575887950448
Energy: 1.208032342168001
Energy: 1.0852281488282598
Energy: 1.0178067111185953
Energy: 1.0173700816554305
Energy: 1.0953497938915495
Energy: 1.1018575887950448
Energy: 1.2080323421683343
Energy: 1.0852281488279267
Energy: 1.135600694165941
Energy: 1.129749583667845
Energy: 1.009693835559699
Energy: 1.2076971202831124
Energy: 1.085316027175049
Energy: 1.1598044483376284
Energy: 1.1356006941652745
Energy: 1.1297495836681783
Energy: 1.009693835560032
Energy: 1.207697120282779
Energy: 1.0342629185197418
Energy: 1.1060571189288693
Energy: 1.0534846578011745
Energy: 1.1613427307553292
Energy: 1.1090933556733176
Energy: 1.111965266261813
Energy: 1.0342629185197418
Energy: 1.1060571189292026
Energy: 1.0534846578011745
Energy: 1.1613427307559956
Energy: 1.0284785932107
Energy: 1.155225051601762
Energy: 1.1891299523964547
Energy: 1.004502480477037
Energy: 1.173821114194241
Energy: 1.0659897755712104
Energy: 1.0284785932110332
Energy: 1.155225051601762
Energy: 1.1891299523964547
Energy: 1.0045024804773703
Energy: 1.1763642392028213
Energy: 1.0625850995496253
Energy: 1.1454721042712654
Energy: 1.062285093873615
Energy: 1.0171712946844038
Energy: 1.0552668683801092
Energy: 1.1763642392021547
Energy: 1.0625850995499584
Energy: 1.1454721042712654
Energy: 1.0622850938746145
Energy: 1.101469270734682
Energy: 1.1888276115330318
Energy: 1.0537453480935932
Energy: 1.0357990736413707
Energy: 1.0952610519258479
Energy: 1.104788115936555
Energy: 1.101469270734682
Energy: 1.1888276115326988
Energy: 1.053745348092927
Energy: 1.0357990736413707
Energy: 1.0961719376567707
Energy: 1.2366350773932129
Energy: 1.0644667986282197
Energy: 1.0584780913659055
Energy: 1.1496589508433046
Energy: 1.2527264710943378
Energy: 1.0961719376567707
Energy: 1.2366350773932129
Energy: 1.0644667986268872
Energy: 1.058478091364906
Energy: 1.0037190232119393
Energy: 1.0925994878480838
Energy: 1.111648035428855
Energy: 1.1246463461503433
Energy: 1.092113973539148
Energy: 1.0565101615332504
Energy: 1.0037190232116062
Energy: 1.0925994878480838
Energy: 1.111648035429188
Energy: 1.1246463461510097
Energy: 1.1091530004977368
Energy: 1.141112864370277
Energy: 0.995731907160902
Energy: 1.1918350252116212
Energy: 1.1693414914014082
Energy: 1.0942043994494743
Energy: 1.1091530004984032
Energy: 1.141112864370277
Energy: 0.9957319071612353
Energy: 1.1918350252112881
Energy: 1.1041346991682777
Energy: 1.0568552381224754
Energy: 1.0933745131646246
Energy: 1.042932669480615
Energy: 1.2214261505517978
Energy: 1.138627336900022
Energy: 1.1041346991686107
Energy: 1.0568552381224754
Energy: 1.0933745131646246
Energy: 1.0429326694802818
Energy: 1.00424127314105
Energy: 1.090910505994892
Energy: 1.157937132090341
Energy: 1.1447518899219085
Energy: 1.0042902333617174
Energy: 1.1545212687263264
Energy: 1.004241273141383
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Energy: 1.1579371320913407
Energy: 1.1447518899219085
Energy: 1.1114865348541823
Energy: 1.1882900890247905
Energy: 1.0673308910507102
Energy: 1.1402429793771096
Energy: 1.0637889818300454
Energy: 0.9962329118633974
Energy: 1.1114865348541823
Energy: 1.1882900890244574
Energy: 1.0673308910510433
Energy: 1.1402429793771096
Energy: 1.1100701656415384
Energy: 1.055512465174375
Energy: 1.0952156300795326
Energy: 1.0641622795885313
Energy: 1.1600304395050776
Energy: 0.9948383839558719
Energy: 1.1100701656412053
Energy: 1.055512465174042
Energy: 1.0952156300795326
Energy: 1.0641622795881982
Energy: 1.2593496912483195
Energy: 1.0851453239110287
Energy: 1.270498880465672
Energy: 1.060719558603832
Energy: 1.1758319660779175
Energy: 1.1610392574509
Energy: 1.2593496912483195
Energy: 1.0851453239110287
Energy: 1.2704988804663384
Energy: 1.0607195586034988
Energy: 1.0902753699283994
Energy: 1.0642561235798187
Energy: 1.0939306419449124
Energy: 1.234042249704661
Energy: 1.0478654368671028
Energy: 1.0809974991228866
Energy: 1.0902753699287326
Energy: 1.0642561235798187
Energy: 1.0939306419452455
Energy: 1.234042249704661
Energy: 1.0856470822358666
Energy: 1.1136806670079855
Energy: 1.0869711913267202
Energy: 0.9981834182651497
Energy: 1.187968740215947
Energy: 1.1647097975347556
Energy: 1.0856470822355335
Energy: 1.113680667006986
Energy: 1.0869711913270532
Energy: 0.9981834182654828
Energy: 1.0852849613663318
Energy: 1.105745776322208
Energy: 1.0191788917500095
Energy: 1.1041914369132684
Energy: 0.9958729197024522
Energy: 1.2380608958263524
Energy: 1.0852849613663318
Energy: 1.105745776322208
Energy: 1.0191788917500095
Energy: 1.104191436912935
Energy: 1.1515330432023634
Energy: 1.054726813921143
Energy: 1.1087005993158363
Energy: 1.13414267067083
Energy: 1.1315857428557774
Energy: 1.0673032965943523
Energy: 1.1515330432023634
Energy: 1.054726813921143
Energy: 1.1087005993158363
Energy: 1.1341426706704967
Energy: 1.0626239866995135
Energy: 1.10174969592148
Energy: 1.125597269481852
Energy: 1.0760315499157598
Energy: 1.1923560481718287
Energy: 1.0084792160676948
Energy: 1.0626239866991805
Energy: 1.10174969592148
Energy: 1.1255972694811855
Energy: 1.076031549915427
Energy: 0.9884602498620954
Energy: 1.134644483199851
Energy: 1.0648563193693295
Energy: 1.0235436391347115
Energy: 1.0629169456475736
Energy: 1.1721280811764296
Energy: 0.9884602498620954
Energy: 1.134644483199851
Energy: 1.0648563193693295
Energy: 1.0235436391347115
Energy: 1.2196820226108267
Energy: 1.0686603258564877
Energy: 1.1052067060597657
Energy: 1.2811499965374895
Energy: 1.0617288185840548
Energy: 1.1687738733973854
Energy: 1.2196820226108267
Energy: 1.0686603258554883
Energy: 1.1052067060594326
Energy: 1.2811499965374895
Energy: 1.0525407082713363
Energy: 1.1639178169432336
Energy: 1.1033636398989648
Energy: 1.092799122990671
Energy: 1.1894886061482757
Energy: 1.08980970797062
Energy: 1.0525407082716693
Energy: 1.1639178169432336
Energy: 1.1033636398992979
Energy: 1.092799122990671
Energy: 1.14431907896057
Energy: 1.0805447660714222
Energy: 1.2747999167380684
Energy: 1.0913346401973802
Energy: 1.0124684037395104
Energy: 1.2198319496452739
Energy: 1.1443190789595703
Energy: 1.0805447660720884
Energy: 1.274799916737735
Energy: 1.0913346401973802
Energy: 1.209076503368972
Energy: 1.080402126969362
Energy: 1.0452357396610026
Energy: 1.0042223442570026
Energy: 1.1212532867082812
Energy: 1.0619855389021196
Energy: 1.2090765033693054
Energy: 1.080402126969362
Energy: 1.0452357396606693
Energy: 1.0042223442573357
Energy: 0.9902542006454649
Energy: 1.1524441613339884
Energy: 1.0959181204685062
Energy: 1.1260348411268335
Energy: 1.1278659086053746
Energy: 1.0841330207163562
Energy: 0.9902542006454649
Energy: 1.152444161333322
Energy: 1.0959181204685062
Energy: 1.1260348411268335
Energy: 1.0445148236662267
Energy: 1.1441967485577091
Energy: 1.145852571066101
Energy: 1.1262610558428543
Energy: 1.0412680677152302
Energy: 1.1024708212602428
Energy: 1.0445148236662267
Energy: 1.1441967485577091
Energy: 1.1458525710664342
Energy: 1.126261055842521
Energy: 1.2096424642973795
Energy: 0.9854912758817591
Energy: 1.1356618793496196
Energy: 1.0031427666167823
Energy: 1.0495436038132149
Energy: 1.0809343521819643
Energy: 1.2096424642967134
Energy: 0.9854912758817591
Energy: 1.1356618793499529
Energy: 1.0031427666167823
Energy: 1.172469620909486
Energy: 1.1645136696483396
Energy: 1.0619862933108264
Energy: 1.0888871271168645
Energy: 1.131895275103039
Energy: 1.0804085800772076
Energy: 1.172469620909486
Energy: 1.1645136696480063
Energy: 1.0619862933101603
Energy: 1.0888871271168645
Energy: 1.0541170942699674
Energy: 1.0487745140374052
Energy: 1.1837459402217858
Energy: 1.1069392246668777
Energy: 1.1046688093757553
Energy: 1.1614290551844766
Energy: 1.0541170942696343
Energy: 1.0487745140374052
Energy: 1.1837459402217858
Energy: 1.1069392246668777
Energy: 1.174868697167203
Energy: 1.1759110427777342
Energy: 1.1553389406877481
Energy: 1.275221046972352
Energy: 1.0953063896649151
Energy: 1.17316166586862
Energy: 1.174868697167203
Energy: 1.1759110427770678
Energy: 1.155338940687415
Energy: 1.2752210469720189
Energy: 1.0686466771229197
Energy: 1.180720333481377
Energy: 1.0861295624453318
Energy: 1.022767923664146
Energy: 1.0683856624313808
Energy: 1.1054112034600965
Energy: 1.0686466771225864
Energy: 1.1807203334817102
Energy: 1.0861295624453318
Energy: 1.0227679236648124
Energy: 1.0019815462724435
Energy: 1.0102634306829728
Energy: 1.1609294089475537
Energy: 1.085863390926612
Energy: 1.1764675649475742
Energy: 1.102577015612217
Energy: 1.0019815462727766
Energy: 1.0102634306826397
Energy: 1.160929408946221
Energy: 1.0858633909269453
Energy: 1.1547156306639992
Energy: 1.0185112950680624
Energy: 1.1721516328956647
Energy: 1.1356293198747394
Energy: 1.108412092574317
Energy: 1.05202850729463
Energy: 1.1547156306643325
Energy: 1.0185112950680624
Energy: 1.1721516328959978
Energy: 1.1356293198747394
Energy: 1.1243861621313795
Energy: 1.2391477685660024
Energy: 0.9855840451416228
Energy: 1.0728497795545064
Energy: 1.02037230305519
Energy: 1.1067448827600617
Energy: 1.1243861621317126
Energy: 1.2391477685660024
Energy: 0.9855840451412896
Energy: 1.0728497795545064
Energy: 1.0851950050568908
Energy: 1.1692476041272677
Energy: 1.1873179328655676
Energy: 1.0553531535327862
Energy: 1.105964590615409
Energy: 1.1659914077962763
Energy: 1.0851950050568908
Energy: 1.1692476041269344
Energy: 1.1873179328655676
Energy: 1.0553531535317868
Energy: 1.0887033770723566
Energy: 1.06204420451447
Energy: 1.1253061602597918
Energy: 1.142120211104303
Energy: 1.0954482941854855
Energy: 1.059898799481551
Energy: 1.0887033770720236
Energy: 1.06204420451447
Energy: 1.1253061602594587
Energy: 1.1421202111039699
Energy: 1.2518928943400887
Energy: 1.1324248271932584
Energy: 1.0601839682748844
Energy: 1.1885583775272346
Energy: 1.2612599932200395
Energy: 1.0960869194127203
Energy: 1.2518928943400887
Energy: 1.1324248271932584
Energy: 1.0601839682752174
Energy: 1.188558377527901
Energy: 1.1084845797000342
Energy: 1.0804538417406013
Energy: 1.052355619964165
Energy: 1.0710331899135295
Energy: 1.148892321420536
Energy: 1.0465985368627462
Energy: 1.1084845797003673
Energy: 1.080453841740268
Energy: 1.0523556199648314
Energy: 1.0710331899141958
Energy: 1.1140897151262517
Energy: 1.0084214234555668
Energy: 1.1915651255175495
Energy: 1.203720992063073
Energy: 1.067175098571538
Energy: 1.188984992198208
Energy: 1.1140897151262517
Energy: 1.0084214234555668
Energy: 1.1915651255175495
Energy: 1.2037209920634062
Energy: 1.0046912869832607
Energy: 1.166284966722466
Energy: 1.0034555300344066
Energy: 1.219086905142499
Energy: 1.1479929922740548
Energy: 1.0896808945439773
Energy: 1.0046912869829276
Energy: 1.166284966722133
Energy: 1.0034555300344066
Energy: 1.219086905142499
Energy: 1.123912927765523
Energy: 1.127425693537374
Energy: 1.1365778416805379
Energy: 1.0532978897703755
Energy: 1.1278889762461557
Energy: 0.9915725119940114
Energy: 1.123912927765523
Energy: 1.1274256935377074
Energy: 1.1365778416805379
Energy: 1.0532978897703755

minimum gb energy = 0.9854912758817591 eV
minimum distance =  2.32304882654123 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.154282279324103
Energy: 1.1814820778077875
Energy: 1.0682412509591166
Energy: 1.5506715934479567
Energy: 1.068150620161878
Energy: 1.056826690518963
Energy: 1.154282279324103
Energy: 1.1814820778077875
Energy: 1.0682412509591166
Energy: 1.0625489532755579
Energy: 1.0474221946624709
Energy: 1.1624638928462319
Energy: 1.0663336096649096
Energy: 1.019140282646015
Energy: 1.1057024381243206
Energy: 1.0674304978979852
Energy: 1.0474221946624709
Energy: 1.1624638928462319
Energy: 1.0663336096649096
Energy: 1.0191402826132454
Energy: 0.9634930010351854
Energy: 1.0504604647551021
Energy: 1.21036575570591
Energy: 1.0290940767903365
Energy: 1.1005671103298758
Energy: 1.1227665113516665
Energy: 0.9634930010339717
Energy: 1.0504604647551021
Energy: 1.2103657557070686
Energy: 1.0290940767903365
Energy: 1.1116596592631842
Energy: 1.050193193094722
Energy: 1.0662942124370631
Energy: 1.0364135836938086
Energy: 1.067833825391642
Energy: 1.0710345998962758
Energy: 1.1116596592619705
Energy: 1.050193193094722
Energy: 1.0662942124370631
Energy: 1.0364135836938086
Energy: 0.9620796910518917
Energy: 1.0647529032999805
Energy: 1.06869391929378
Energy: 1.018053020756478
Energy: 1.0272471931834037
Energy: 1.0960879949007833
Energy: 0.9620796910518917
Energy: 1.0900425278105887
Energy: 1.06869391929378
Energy: 1.018053020756478
Energy: 0.9638564084069737
Energy: 1.1410111982991735
Energy: 1.0624351198917084
Energy: 1.0690367679158626
Energy: 1.0123916751335966
Energy: 1.2222677996524378
Energy: 0.9638564084069737
Energy: 1.1410111982991735
Energy: 1.0624351198917084
Energy: 1.0690367679158626
Energy: 1.2115393763831104
Energy: 1.0603456903228385
Energy: 1.1223952778758486
Energy: 1.0410261773828806
Energy: 1.067394712443489
Energy: 1.0506785857724774
Energy: 1.2115393763831104
Energy: 1.0603456903240525
Energy: 1.1223952778758486
Energy: 1.0410261773828806
Energy: 0.9758224909390292
Energy: 1.1307972425634425
Energy: 1.0666007637478225
Energy: 1.0195200635310429
Energy: 1.0927093927257188
Energy: 1.0500257637875272
Energy: 0.9758224909390292
Energy: 1.1307972425634425
Energy: 1.0666007637478225
Energy: 1.0195200635310429
Energy: 1.0524291656519116
Energy: 1.0819916768197106
Energy: 1.2320081843260808
Energy: 1.0205684314203278
Energy: 1.0675778191403467
Energy: 1.2887390648265131
Energy: 1.0524291656519116
Energy: 1.0819916768197106
Energy: 1.2320081843260808
Energy: 1.0205684314203278
Energy: 1.0487166330716546
Energy: 1.0939871957747962
Energy: 1.0391929988453612
Energy: 1.0866387664336032
Energy: 1.066224338967958
Energy: 1.1819575036295946
Energy: 1.0487166330716546
Energy: 1.0939871957747962
Energy: 1.0391929988453612
Energy: 1.0866387664336032
Energy: 1.2655338405044205
Energy: 1.067896127281387
Energy: 1.067632533082896
Energy: 1.0187190333585916
Energy: 1.0822331649276966
Energy: 1.052059105481512
Energy: 1.2655338405044205
Energy: 1.067896127281387
Energy: 1.067632533082896
Energy: 1.0187190333585916
Energy: 1.072249774945241
Energy: 1.0965605592085623
Energy: 1.218132117516207
Energy: 1.0276596183720277
Energy: 1.2078524348614945
Energy: 1.1302136717612261
Energy: 1.072249774945241
Energy: 1.0965605592085623
Energy: 1.218132117516207
Energy: 1.0276596183720277
Energy: 1.091849479824012
Energy: 1.0515435334875705
Energy: 1.1211554934951957
Energy: 1.0172757366020748
Energy: 1.0692282872825423
Energy: 1.067950837396451
Energy: 1.091849479824012
Energy: 1.0515435334875705
Energy: 1.1211554934964092
Energy: 1.0172757366020748
Energy: 1.1302727646604847
Energy: 1.2704219891439656
Energy: 1.066258150537922
Energy: 1.1609479459513568
Energy: 1.0628522494396067
Energy: 1.049737273415455
Energy: 1.1302727646604847
Energy: 1.2704219891439656
Energy: 1.066258150537922
Energy: 1.1609479459513568

minimum gb energy = 0.9620796910518917 eV
minimum distance =  2.28282929706146 Angstroms
sigma value = 33