Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050199627876282
cohesive_energy=3.5802838199389533
mass=26.981538
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: 0.012550502434499417
Energy: 0.13127463206956066
Energy: 0.1312746320684091
Energy: 0.01255050243680253
Energy: 0.1312746320684091
Energy: 0.13127463206956066
Energy: 0.01255050243680253
Energy: 0.13127463206956066
Energy: 0.1312746320684091
Energy: 0.01255050243680253
Energy: 0.13140574580738854
Energy: 0.013383777441481583
Energy: 0.13071250471473198
Energy: 0.13140574580623698
Energy: 0.01338377744263314
Energy: 0.1307125047112773
Energy: 0.13140574580738854
Energy: 0.013383777441481583
Energy: 0.1307125047135804
Energy: 0.13140574580854011
Energy: 0.307782901370219
Energy: 0.08844124489183972
Energy: 0.08844124489068816
Energy: 0.18009846490377945
Energy: 0.18661056756689898
Energy: 0.013599146071651545
Energy: 0.44582860749354436
Energy: 0.08578523682504521
Energy: 0.013599146072803102
Energy: 0.2953208174739746
Energy: 0.13140574580738854
Energy: 0.13071250471588353
Energy: 0.01338377744263314
Energy: 0.13140574580854011
Energy: 0.1307125047135804
Energy: 0.013383777441481583
Energy: 0.13140574580623698
Energy: 0.1307125047135804
Energy: 0.013383777441481583
Energy: 0.13140574580969167
Energy: 0.012550502435650973
Energy: 0.13127463206956066
Energy: 0.13127463206956066
Energy: 0.012550502435650973
Energy: 0.13127463206956066
Energy: 0.13127463206956066
Energy: 0.012550502435650973
Energy: 0.13127463207071222
Energy: 0.13127463206956066
Energy: 0.012550502434499417
Energy: 0.13140574580738854
Energy: 0.013383777441481583
Energy: 0.1307125047135804
Energy: 0.13140574580854011
Energy: 0.01338377744263314
Energy: 0.1307125047135804
Energy: 0.13140574580623698
Energy: 0.013383777441481583
Energy: 0.13071250471473198
Energy: 0.13140574580854011
Energy: 0.2953208174751261
Energy: 0.013599146071651545
Energy: 0.19397669466203718
Energy: 0.29532081747282307
Energy: 0.17728471084698147
Energy: 0.013599146072803102
Energy: 0.29532081747282307
Energy: 0.22792751051868873
Energy: 0.013599146072803102
Energy: 0.29532081747282307

minimum gb energy = 0.012550502434499417 eV
minimum distance =  2.67087649607658 Angstroms
sigma value = 3


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

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Energy: 0.3539938459954742
Energy: 0.3530357862885955
Energy: 0.30938912359535353
Energy: 0.3539938459969102
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Energy: 0.3217953929936163
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Energy: 0.3093891235947894
Energy: 0.30432275556756694
Energy: 0.31498986945578533
Energy: 0.3504963043187203
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Energy: 0.37088468586963474
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Energy: 0.26476324632708703
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Energy: 0.39889866499147714
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Energy: 0.34808205824788147
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Energy: 0.34808205824900973
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Energy: 0.2885337490250435
Energy: 0.34972377499773755
Energy: 0.31511535058841145
Energy: 0.2885337490278642
Energy: 0.34972377499742985
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Energy: 0.28853374902586404
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Energy: 0.28827966210772904
Energy: 0.3539938459971666
Energy: 0.3530357862874672
Energy: 0.2883328049160543
Energy: 0.3539938459991667
Energy: 0.3530357862888519
Energy: 0.28827966210239536
Energy: 0.35399384600588524
Energy: 0.3530357862849029
Energy: 0.2883328049180031
Energy: 0.30432275556895166
Energy: 0.3149898694518363
Energy: 0.3504963043187203
Energy: 0.30432275556869526
Energy: 0.31498986945352875
Energy: 0.3504963043249259
Energy: 0.3043227555638744
Energy: 0.31498986945383645
Energy: 0.35049630433025963
Energy: 0.3043227555647462
Energy: 0.32601264894004345
Energy: 0.3708846858645575
Energy: 0.39366827845469066
Energy: 0.3377280745256986
Energy: 0.3708846858744043
Energy: 0.3936682784588961
Energy: 0.32601264893358145
Energy: 0.370884685876661
Energy: 0.3936682784617168
Energy: 0.3377280745256986
Energy: 0.35292899374665826
Energy: 0.3644809076451053
Energy: 0.2649496608887447
Energy: 0.3529289937472224
Energy: 0.36448090764649005
Energy: 0.2649496608893089
Energy: 0.35292899374301695
Energy: 0.36448090764623364
Energy: 0.2649496608887447
Energy: 0.3529289937480943

minimum gb energy = 0.25939683598841656 eV
minimum distance =  2.67145655199438 Angstroms
sigma value = 75


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

Energy: 0.3562977683026654
Energy: 0.268175558429705
Energy: 0.26803906056273796
Energy: 0.3177535606154925
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minimum gb energy = 0.26716055142650597 eV
minimum distance =  2.48328949530488 Angstroms
sigma value = 105


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

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Energy: 0.3202709868533493
Energy: 0.32043152888052967
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Energy: 0.3202709868535188
Energy: 0.3204315288808402
Energy: 0.30966112066916013
Energy: 0.31282749809792965
Energy: 0.3269045368418967
Energy: 0.30966112066947066
Energy: 0.3128274981002447
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Energy: 0.3096611206680873
Energy: 0.31282749810086574
Energy: 0.3269045368402028
Energy: 0.30966112066760737
Energy: 0.31475963569574067
Energy: 0.32062790846724265
Energy: 0.32274295532388153
Energy: 0.314759635693595
Energy: 0.32067040755794196
Energy: 0.3227429553209172
Energy: 0.314759635693595
Energy: 0.32062790846924716
Energy: 0.3227429553201549
Energy: 0.3147596356939056
Energy: 0.3507435095295917
Energy: 0.33636343906282334
Energy: 0.30903805557043174
Energy: 0.3507435095272485
Energy: 0.3364311406655071
Energy: 0.3090380555690484
Energy: 0.3507435095289706
Energy: 0.3363634390679333
Energy: 0.3090380555695001
Energy: 0.3507435095264862
Energy: 0.3210140582801589
Energy: 0.3275935959737188
Energy: 0.30346723466257963
Energy: 0.321014058278465
Energy: 0.3275935959726177
Energy: 0.30346723466506403
Energy: 0.3210140582739479
Energy: 0.3275935959688911
Energy: 0.3034672346639913
Energy: 0.3210140582751901
Energy: 0.3022757964292918
Energy: 0.35023448547716574
Energy: 0.3120887884950119
Energy: 0.3022757964378179
Energy: 0.33895744278571077
Energy: 0.31208878849825866
Energy: 0.30227579642463354
Energy: 0.35023448547950903
Energy: 0.3120887884998114
Energy: 0.30227579642836017
Energy: 0.34337099910521207
Energy: 0.3169890973854789
Energy: 0.3399257507830237
Energy: 0.3433709991024171
Energy: 0.3169868879307537
Energy: 0.3399257507820921
Energy: 0.3433709991049015
Energy: 0.3169890973870317
Energy: 0.3399257507817815
Energy: 0.3433709991053532
Energy: 0.3244022257347376
Energy: 0.3041124448453493
Energy: 0.330247568517089
Energy: 0.3244022257339471
Energy: 0.30418719146949047
Energy: 0.3302475685200534
Energy: 0.3244022257319427
Energy: 0.30411244484054983
Energy: 0.33024756852236836
Energy: 0.32440222573132155

minimum gb energy = 0.2965359115370064 eV
minimum distance =  2.55227456415998 Angstroms
sigma value = 165


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

Energy: 0.282672049483545
Energy: 0.3199841384146511
Energy: 0.3199992835543816
Energy: 0.28267204948194574
Energy: 0.3199841384125188
Energy: 0.3199992835559808
Energy: 0.282672049483545
Energy: 0.31998413841571727
Energy: 0.31999928355491464
Energy: 0.2826720494824788
Energy: 0.3286432197765681
Energy: 0.2873549127851132
Energy: 0.33454710500537643
Energy: 0.32864321977976646
Energy: 0.2873549127872455
Energy: 0.3345471050027111
Energy: 0.328643219775502
Energy: 0.2873549127877785
Energy: 0.33454710500164503
Energy: 0.32864321977976646
Energy: 0.314001107861404
Energy: 0.3437915683097521
Energy: 0.27911964145163903
Energy: 0.31400110786300317
Energy: 0.3437915683124174
Energy: 0.27911964144950674
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Energy: 0.3437915683097521
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Energy: 0.35972434039544193
Energy: 0.32964753154618964
Energy: 0.28898108996134614
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Energy: 0.27894403865924466
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Energy: 0.27894392191242157
Energy: 0.3133009829357835
Energy: 0.29195040482560625
Energy: 0.3639517436259537
Energy: 0.3590073374988991
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Energy: 0.32489998548796045
Energy: 0.3208588819445172
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Energy: 0.32489998548689436
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Energy: 0.3248999854884935
Energy: 0.3208588819439841
Energy: 0.3345152074046326
Energy: 0.3248999854884935
Energy: 0.29211547181733677
Energy: 0.3590557025122019
Energy: 0.3638156770890704
Energy: 0.29211547181520453
Energy: 0.35905570251113583
Energy: 0.36381567709013657
Energy: 0.29211547181520453
Energy: 0.35905570251380114
Energy: 0.36381567709013657
Energy: 0.29211547181573755
Energy: 0.31328419548876957
Energy: 0.2789346289317007
Energy: 0.3445107517085935
Energy: 0.31328419548663733
Energy: 0.27893475488902225
Energy: 0.3445107517101927
Energy: 0.31328419548876957
Energy: 0.27893475351431557
Energy: 0.34451075170752743
Energy: 0.3132841954877035
Energy: 0.3596935818781136
Energy: 0.28900794303653576
Energy: 0.32972358366519544
Energy: 0.3596935818791798
Energy: 0.289007943038135
Energy: 0.32972358366572846
Energy: 0.3596935818781136
Energy: 0.2890079430376019
Energy: 0.32972358366519544
Energy: 0.3596935818791798
Energy: 0.3140438181777323
Energy: 0.27912684770158247
Energy: 0.34344839116537573
Energy: 0.3140438181793315
Energy: 0.27912684769465257
Energy: 0.34344839116484266
Energy: 0.3140438181756
Energy: 0.27912684769945023
Energy: 0.34344839116484266
Energy: 0.3140438181702694
Energy: 0.3287380895006776
Energy: 0.3344992444943327
Energy: 0.28738762401098367
Energy: 0.3287380895012107
Energy: 0.33449924449593194
Energy: 0.28738762401311596
Energy: 0.3287380895001446
Energy: 0.3344992444991303
Energy: 0.2873876240115168
Energy: 0.32873808950174377
Energy: 0.282672049483545
Energy: 0.31998413841518425
Energy: 0.31999928355864615
Energy: 0.28267204948301183
Energy: 0.3199841384146511
Energy: 0.3199992835570469
Energy: 0.2826720494824788
Energy: 0.31998413841625034
Energy: 0.3199992835565138
Energy: 0.28267204948194574

minimum gb energy = 0.2789346289317007 eV
minimum distance =  2.669166826381 Angstroms
sigma value = 41


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

Energy: 0.30155872633320446
Energy: 0.3041140622786534
Energy: 0.3038714210514921
Energy: 0.31081821574359597
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Energy: 0.3038714210494239
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Energy: 0.2988309224287812
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Energy: 0.2787534000281383
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Energy: 0.31502144676133953
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Energy: 0.2524902634771712
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Energy: 0.30515211542800375
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Energy: 0.33235513937314515
Energy: 0.29433964749097574
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Energy: 0.31313880254751075
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Energy: 0.26570365328909584
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Energy: 0.2554503735587178
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Energy: 0.3059559234051448
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Energy: 0.2988501892316032
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Energy: 0.29542019461104024
Energy: 0.30234764497318956
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Energy: 0.29542019461310853
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Energy: 0.2960282010584761
Energy: 0.27246007954331636
Energy: 0.25860149436556357
Energy: 0.30001172396184433
Energy: 0.2826883240878537
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Energy: 0.2538222414743704
Energy: 0.2648751424472583
Energy: 0.2654067034596676
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Energy: 0.264989717545763
Energy: 0.26548122462254214
Energy: 0.2538222414723021
Energy: 0.26487514244519
Energy: 0.26540670346587236
Energy: 0.2538222414764386
Energy: 0.2536958041457038
Energy: 0.26877116388229905
Energy: 0.25651712020453704
Energy: 0.25369580414984033
Energy: 0.26873568622325483
Energy: 0.25651712020246875
Energy: 0.25369580414984033
Energy: 0.268771163874026
Energy: 0.2565171201983322
Energy: 0.25369580414984033
Energy: 0.33516372374318376
Energy: 0.2627913489781375
Energy: 0.2831207435871785
Energy: 0.33516372373904724
Energy: 0.26334144351695843
Energy: 0.28312074358924677
Energy: 0.3351637237411155
Energy: 0.2627913489740009
Energy: 0.2831207435933833
Energy: 0.33516372373904724
Energy: 0.30114614800892087
Energy: 0.2956338727415682
Energy: 0.2630374615933777
Energy: 0.30114614801098916
Energy: 0.2956338727374317
Energy: 0.2630374615913095
Energy: 0.30114614800275374
Energy: 0.2956338727477729
Energy: 0.2630374615933777
Energy: 0.30114614800482203

minimum gb energy = 0.2524177101155579 eV
minimum distance =  2.58945247775513 Angstroms
sigma value = 185


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

Energy: 0.2233121458055144
Energy: 0.13655803489858506
Energy: 0.13638752482745434
Energy: 0.13663262876968893
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Energy: 0.18501446424017454
Energy: 0.16992086523797834
Energy: 0.1401346050590812
Energy: 0.1585402198573684
Energy: 0.18267013158903073
Energy: 0.1401346050627639
Energy: 0.18501446424287518
Energy: 0.16992086524043348
Energy: 0.14013460505957223
Energy: 0.1585402198576139
Energy: 0.13641764536108864
Energy: 0.14067832949242523
Energy: 0.1424988972343628
Energy: 0.11633041487637637
Energy: 0.12546290101453755
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Energy: 0.13641764536280726
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Energy: 0.1441371877034385
Energy: 0.18479335851469386
Energy: 0.20011615655217274
Energy: 0.14413718770589365
Energy: 0.15956049985566714

minimum gb energy = 0.0962198971857383 eV
minimum distance =  2.65422129797655 Angstroms
sigma value = 33


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

Energy: 0.2533371400471487
Energy: 0.27126940712827546
Energy: 0.2716106588937739
Energy: 0.22526635213405558
Energy: 0.2712694071296233
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minimum gb energy = 0.2200486710738951 eV
minimum distance =  2.47354845223738 Angstroms
sigma value = 219


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

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Energy: 0.3293630059606897
Energy: 0.29447839683346255
Energy: 0.35059257851295905
Energy: 0.3293630059606897

minimum gb energy = 0.27631762437638396 eV
minimum distance =  2.605410431783 Angstroms
sigma value = 15


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

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minimum gb energy = 0.3369439880646443 eV
minimum distance =  2.57991309854867 Angstroms
sigma value = 293


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

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Energy: 0.36687270586687765
Energy: 0.3345861822966439
Energy: 0.35966733348071067
Energy: 0.36185887330818084
Energy: 0.3345861822958379
Energy: 0.3596673334801246
Energy: 0.361858873308364
Energy: 0.3345861822962409
Energy: 0.35966733348052754
Energy: 0.361858873308364
Energy: 0.33458618229481224
Energy: 0.33906939242132533
Energy: 0.36851513421495363
Energy: 0.34345005418639735
Energy: 0.33906939242029965
Energy: 0.36851513421495363
Energy: 0.3434500541868003
Energy: 0.3390693924207026
Energy: 0.36851513421495363
Energy: 0.34345005418639735
Energy: 0.3390693924205194
Energy: 0.37315259609422025
Energy: 0.3424821963743181
Energy: 0.34253916313944566
Energy: 0.37315259609422025
Energy: 0.3424821963749409
Energy: 0.34253916314146043
Energy: 0.37315259609444
Energy: 0.34248219637373195
Energy: 0.3425391631404714
Energy: 0.3731525960946232
Energy: 0.33907176568004094
Energy: 0.34338777496461226
Energy: 0.3685199996686762
Energy: 0.33907176567883207
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Energy: 0.3390717656798578
Energy: 0.34338777496461226
Energy: 0.36851999966827326
Energy: 0.33907176567905184
Energy: 0.33454628691457045
Energy: 0.3618402790941009
Energy: 0.35968725883508884
Energy: 0.33454628691457045
Energy: 0.36184027909432065
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Energy: 0.3396557594860824
Energy: 0.3394339737447484
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Energy: 0.3396557594856794
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Energy: 0.3396557594854963
Energy: 0.33943397374456524
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Energy: 0.35054801106064315
Energy: 0.4073716786585966
Energy: 0.3333335187558712
Energy: 0.35054801106005706
Energy: 0.40737167865720453
Energy: 0.3333335187568969
Energy: 0.35054801105943423
Energy: 0.4073716786585966
Energy: 0.333333518755688
Energy: 0.35054801106064315
Energy: 0.3443577958257434
Energy: 0.33943839244991425
Energy: 0.33349530849265074
Energy: 0.34435779582413156
Energy: 0.33943839245170926
Energy: 0.33349530849265074
Energy: 0.34435779582431475
Energy: 0.339438392451929
Energy: 0.33349530849265074
Energy: 0.34435779582534043
Energy: 0.3464012903366483
Energy: 0.36100641595783806
Energy: 0.3396485974169071
Energy: 0.3464012903372711
Energy: 0.3610064159588272
Energy: 0.3396485974169071
Energy: 0.3464012903354394
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Energy: 0.3396485974161012
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Energy: 0.3455264385803061
Energy: 0.34559789106019984
Energy: 0.3424641762152385
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Energy: 0.34559789106100575
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Energy: 0.34559789106019984
Energy: 0.3424641762152385
Energy: 0.3462396163561412
Energy: 0.339727726446321
Energy: 0.3610203021180338
Energy: 0.34623961635434614
Energy: 0.3397277264456982
Energy: 0.36102030211785063
Energy: 0.34623961634991357
Energy: 0.33972772644591803
Energy: 0.3610203021180338
Energy: 0.3462396163529175
Energy: 0.34434912303242193
Energy: 0.3335234375562707
Energy: 0.3393946876464374
Energy: 0.34434912303143284
Energy: 0.33352343755645386
Energy: 0.33939468764724323
Energy: 0.344349123031616
Energy: 0.3335234375558678
Energy: 0.3393946876468403
Energy: 0.344349123031616
Energy: 0.36039916421803975
Energy: 0.333284824209341
Energy: 0.40739234300651134
Energy: 0.36039916421782
Energy: 0.3332848242087182
Energy: 0.40739234300651134
Energy: 0.36039916421782
Energy: 0.333284824208938
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Energy: 0.36687270586966175
Energy: 0.3392771741675735
Energy: 0.3397304301836925
Energy: 0.36687270586885584
Energy: 0.33927717416815967
Energy: 0.33973043018350935
Energy: 0.3668727058716766
Energy: 0.33927717416717057
Energy: 0.33973043018350935
Energy: 0.3668727058674638
Energy: 0.33458618229440923
Energy: 0.35966733348071067
Energy: 0.36185887330858385
Energy: 0.33458618229561815
Energy: 0.35966733348071067
Energy: 0.361858873308364
Energy: 0.3345861822960211
Energy: 0.3596673334809305
Energy: 0.36185887330858385
Energy: 0.334586182295435
Energy: 0.33906939242092243
Energy: 0.36851513421477045
Energy: 0.3434500541866171
Energy: 0.33906939242092243
Energy: 0.36851513421495363
Energy: 0.3434500541859944
Energy: 0.3390693924207026
Energy: 0.36851513421477045
Energy: 0.3434500541866171
Energy: 0.3390693924215085
Energy: 0.37315259609422025
Energy: 0.3424821963743181
Energy: 0.3425391631412773
Energy: 0.3731525960946232
Energy: 0.3424821963731092
Energy: 0.3425391631390427
Energy: 0.3731525960946232
Energy: 0.3424821963731092
Energy: 0.3425391631430723
Energy: 0.373152596094843
Energy: 0.33907176567905184
Energy: 0.3433877749651984
Energy: 0.36851999966827326
Energy: 0.3390717656798578
Energy: 0.34338777496461226
Energy: 0.3685199996686762
Energy: 0.33907176567905184
Energy: 0.3433877749651984
Energy: 0.3685199996686762
Energy: 0.3390717656798578
Energy: 0.33454628691658533
Energy: 0.36184027909432065
Energy: 0.3596872588369205
Energy: 0.3345462869159625
Energy: 0.36184027909432065
Energy: 0.35968725883589475
Energy: 0.33454628691577937
Energy: 0.36184027909432065
Energy: 0.3596872588357116
Energy: 0.3345462869143507
Energy: 0.36660996009244545
Energy: 0.33965575948527643
Energy: 0.33943397374394246
Energy: 0.36660996009185937
Energy: 0.3396557594856794
Energy: 0.3394339737441623
Energy: 0.3666099600948633
Energy: 0.3396557594850933
Energy: 0.3394339737441623
Energy: 0.36660996008863567
Energy: 0.3505480110590313
Energy: 0.40737167865720453
Energy: 0.33333351875708006
Energy: 0.3505480110608629
Energy: 0.4073716786588164
Energy: 0.3333335187554682
Energy: 0.3505480110596541
Energy: 0.4073716786573877
Energy: 0.3333335187564939
Energy: 0.3505480110596541

minimum gb energy = 0.3332848242087182 eV
minimum distance =  2.50710794223445 Angstroms
sigma value = 293


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

Energy: 0.35300133809948503
Energy: 0.3594039025035644
Energy: 0.35939205583210715
Energy: 0.35300133810203416
Energy: 0.3594039021162701
Energy: 0.35939205570541466
Energy: 0.3530013381009417
Energy: 0.3594039049211827
Energy: 0.3593920549472461
Energy: 0.35300133810057754
Energy: 0.3749900783500958
Energy: 0.35360225328405853
Energy: 0.37546269781293995
Energy: 0.37499007835045994
Energy: 0.35360225328624345
Energy: 0.37546269781293995
Energy: 0.3749900783515524
Energy: 0.3536022532866076
Energy: 0.3754626978125758
Energy: 0.3749900783522807
Energy: 0.3601322756124315
Energy: 0.35895422975423286
Energy: 0.40761560770754157
Energy: 0.3601322756153448
Energy: 0.3589542297524121
Energy: 0.40761560770681327
Energy: 0.3601322756138881
Energy: 0.35895422975277624
Energy: 0.4076156077079057
Energy: 0.36013227561206734
Energy: 0.4078566972207988
Energy: 0.35891103256556356
Energy: 0.36011284169830987
Energy: 0.40785669722371204
Energy: 0.3589110325670201
Energy: 0.3601128417099629
Energy: 0.4078566972222554
Energy: 0.3589110326067129
Energy: 0.3601128417212516
Energy: 0.40785669722371204
Energy: 0.3754102047504212
Energy: 0.35356553573893607
Energy: 0.3749764179657583
Energy: 0.3754102047504212
Energy: 0.3535655357342021
Energy: 0.3749764179661224
Energy: 0.37541020475479103
Energy: 0.35356553573529453
Energy: 0.3749764179657583
Energy: 0.3754102047536986
Energy: 0.3594039018720221
Energy: 0.35939205610836755
Energy: 0.35300133810021334
Energy: 0.35940390135114947
Energy: 0.359392057468251
Energy: 0.35300133809948503
Energy: 0.3594039084053086
Energy: 0.3593920559125521
Energy: 0.3530013380998492
Energy: 0.35940390432132174
Energy: 0.35360225328478684
Energy: 0.3754626978103909
Energy: 0.3749900783508241
Energy: 0.3536022532836944
Energy: 0.3754626978151248
Energy: 0.37499007835118825
Energy: 0.3536022532855151
Energy: 0.37546269781476066
Energy: 0.374990078353009
Energy: 0.3536022532833302
Energy: 0.3589542297564178
Energy: 0.40761560770426425
Energy: 0.3601322756102466
Energy: 0.35895422975823854
Energy: 0.40761560770608496
Energy: 0.3601322756164372
Energy: 0.3589542297524121
Energy: 0.40761560770608496
Energy: 0.36013227561352396
Energy: 0.35895422975423286
Energy: 0.3589110325626503
Energy: 0.3601128417449216
Energy: 0.40785669722116297
Energy: 0.35891103256410695
Energy: 0.36011284169211927
Energy: 0.4078566972226196
Energy: 0.3589110325677484
Energy: 0.36011284172598557
Energy: 0.40785669722371204
Energy: 0.3589110325677484
Energy: 0.35356553573165295
Energy: 0.37497641796648656
Energy: 0.37541020475297027
Energy: 0.3535655357345662
Energy: 0.37497641796721487
Energy: 0.37541020475297027
Energy: 0.3535655357371153
Energy: 0.37497641796721487
Energy: 0.37541020475151365
Energy: 0.3535655357338379
Energy: 0.3593920564523276
Energy: 0.35300133810057754
Energy: 0.3594039037706216
Energy: 0.35939205662487034
Energy: 0.35300133809948503
Energy: 0.359403903612645
Energy: 0.35939205707913585
Energy: 0.3530013381009417
Energy: 0.35940390210753037
Energy: 0.3593920574230959
Energy: 0.3754626978140324
Energy: 0.37499007835118825
Energy: 0.35360225328697176
Energy: 0.3754626978140324
Energy: 0.374990078353009
Energy: 0.35360225328587924
Energy: 0.3754626978125758
Energy: 0.3749900783508241
Energy: 0.3536022532855151
Energy: 0.37546269781293995
Energy: 0.4076156077079057
Energy: 0.3601322756131598
Energy: 0.3589542297560536
Energy: 0.40761560770572086
Energy: 0.3601322756182248
Energy: 0.3589542297560536
Energy: 0.40761560770499256
Energy: 0.3601322756124315
Energy: 0.35895422975314034
Energy: 0.40761560770754157
Energy: 0.3601128417474707
Energy: 0.4078566972222554
Energy: 0.35891103255722107
Energy: 0.36011284170668545
Energy: 0.4078566972244403
Energy: 0.3589110325590419
Energy: 0.36011284169685326
Energy: 0.4078566972200705
Energy: 0.3589110325513946
Energy: 0.36011284171360436
Energy: 0.37497641796830733
Energy: 0.3754102047533344
Energy: 0.35356553573675115
Energy: 0.3749764179657583
Energy: 0.37541020474932874
Energy: 0.3535655357356587
Energy: 0.374976417967579
Energy: 0.3754102047540627
Energy: 0.3535655357342021
Energy: 0.3749764179668507
Energy: 0.3530013380998492
Energy: 0.35940390149892976
Energy: 0.3593920547706976
Energy: 0.35300133810130585
Energy: 0.3594039038150153
Energy: 0.35939205602500945
Energy: 0.35300133809839257
Energy: 0.35940390430602726
Energy: 0.359392055136871
Energy: 0.35300133809730017
Energy: 0.37499007835191656
Energy: 0.35360225328587924
Energy: 0.3754626978118475
Energy: 0.37499007835118825
Energy: 0.3536022532844227
Energy: 0.37546269781221164
Energy: 0.37499007835045994
Energy: 0.3536022532836944
Energy: 0.37546269781476066
Energy: 0.37499007835337317
Energy: 0.3601322756138881
Energy: 0.35895422975314034
Energy: 0.4076156077079057
Energy: 0.3601322756149806
Energy: 0.358954229754597
Energy: 0.40761560770936245
Energy: 0.36013227561461647
Energy: 0.35895422975496116
Energy: 0.4076156077079057
Energy: 0.3601322756117032
Energy: 0.4078566972226196
Energy: 0.35891103256556356
Energy: 0.3601128416928476
Energy: 0.4078566972222554
Energy: 0.3589110325644711
Energy: 0.3601128417332687
Energy: 0.4078566972222554
Energy: 0.3589110325532154
Energy: 0.3601128417354536
Energy: 0.4078566972226196
Energy: 0.37541020475151365
Energy: 0.3535655357360229
Energy: 0.37497641796648656
Energy: 0.3754102047504212
Energy: 0.35356553573893607
Energy: 0.3749764179639375
Energy: 0.37541020475151365
Energy: 0.35356553573675115
Energy: 0.37497641796648656
Energy: 0.3754102047511495
Energy: 0.35940390745056305
Energy: 0.3593920568734882
Energy: 0.35300133809948503
Energy: 0.3594039102718626
Energy: 0.3593920647338842
Energy: 0.35300133809730017
Energy: 0.3594039039609748
Energy: 0.35939206457627176
Energy: 0.35300133809766426
Energy: 0.3594039207977995
Energy: 0.35360225328624345
Energy: 0.3754626978103909
Energy: 0.374990078353009
Energy: 0.3536022532873359
Energy: 0.3754626978143965
Energy: 0.374990078353009
Energy: 0.3536022532833302
Energy: 0.37546269781293995
Energy: 0.3749900783522807
Energy: 0.3536022532866076

minimum gb energy = 0.35300133809730017 eV
minimum distance =  2.577793897303 Angstroms
sigma value = 15


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

Energy: 0.3591517504026419
Energy: 0.36255504820187545
Energy: 0.36859296492078475
Energy: 0.3526387629264893
Energy: 0.3625550482002248
Energy: 0.36859296492408616
Energy: 0.3591517503993405
Energy: 0.36255504820187545
Energy: 0.36859296492408616
Energy: 0.3526387629264893
Energy: 0.36041141836337376
Energy: 0.36032539851907036
Energy: 0.3391901565313093
Energy: 0.3604114183650245
Energy: 0.36032539852072104
Energy: 0.33919015652470647
Energy: 0.36041141836337376
Energy: 0.3603253985223718
Energy: 0.33919015652470647
Energy: 0.3604114183650245
Energy: 0.3526279542246132
Energy: 0.3464138016027595
Energy: 0.37794840115555595
Energy: 0.35262795422626386
Energy: 0.34641380159945806
Energy: 0.3779484011572066
Energy: 0.3526279542295653
Energy: 0.34641380159285523
Energy: 0.3779484011572066
Energy: 0.3526279542246132
Energy: 0.3427342206347511
Energy: 0.33790134589580617
Energy: 0.3411304808491375
Energy: 0.3427342206380525
Energy: 0.33790134588920334
Energy: 0.3411304808474868
Energy: 0.3427342206446553
Energy: 0.33790134588425125
Energy: 0.34113048085078823
Energy: 0.3427342206380525
Energy: 0.3639846528798402
Energy: 0.35661088789382905
Energy: 0.3571667802415504
Energy: 0.36398465287818954
Energy: 0.35661088789547973
Energy: 0.3571667802398997
Energy: 0.36398465287818954
Energy: 0.35661088789217826
Energy: 0.3571667802398997
Energy: 0.3639846528765388
Energy: 0.35302202501033986
Energy: 0.37057473051620377
Energy: 0.33280124946080103
Energy: 0.35302202501364127
Energy: 0.37057473051620377
Energy: 0.3328012494707053
Energy: 0.35302202501033986
Energy: 0.37057473051620377
Energy: 0.3328012494690546
Energy: 0.3530220250086891
Energy: 0.37622294087282326
Energy: 0.35688077425883763
Energy: 0.35453710667377025
Energy: 0.3762221905269199
Energy: 0.3568807742538856
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Energy: 0.3762229408711726
Energy: 0.35688077425223486
Energy: 0.35453710666881805
Energy: 0.37622219052196776
Energy: 0.3595980881558928
Energy: 0.3673901969993415
Energy: 0.36179246116847646
Energy: 0.359598088154242
Energy: 0.3673901970042936
Energy: 0.36179246117342867
Energy: 0.359598088154242
Energy: 0.3673901970042936
Energy: 0.3617924611717779
Energy: 0.3595980881575434
Energy: 0.37595098561507895
Energy: 0.34496080344480456
Energy: 0.3475864111598204
Energy: 0.3759509856134282
Energy: 0.3449650793686168
Energy: 0.34754675123450834
Energy: 0.3759509856183803
Energy: 0.34496080344150315
Energy: 0.34758641116477246
Energy: 0.37595098562333246
Energy: 0.35160910387343325
Energy: 0.3819726568513492
Energy: 0.3600696918980706
Energy: 0.3516314703815793
Energy: 0.38197265685465054
Energy: 0.367282675373151
Energy: 0.35160910387343325
Energy: 0.38197265684969844
Energy: 0.36006969189476923
Energy: 0.3516314703848807
Energy: 0.3612600789003376
Energy: 0.33268832115296815
Energy: 0.36431156009389576
Energy: 0.36126007889376477
Energy: 0.3326883211579203
Energy: 0.36431156009389576
Energy: 0.36126007889376477
Energy: 0.33268832115296815
Energy: 0.36431156009224513
Energy: 0.36126007889541556
Energy: 0.36098475523294354
Energy: 0.3379807418216846
Energy: 0.40419838638689437
Energy: 0.36098475523294354
Energy: 0.3379829022875361
Energy: 0.4041983863885451
Energy: 0.36098475522964213
Energy: 0.33798074182993804
Energy: 0.40419838639019584
Energy: 0.36098475523294354
Energy: 0.37024512556986466
Energy: 0.33632351041271913
Energy: 0.3668305799997447
Energy: 0.37024512557151534
Energy: 0.33632351041271913
Energy: 0.366830579998094
Energy: 0.37024512556986466
Energy: 0.3363235104176712
Energy: 0.366830579998094
Energy: 0.3702451255764675
Energy: 0.33383101257728137
Energy: 0.3341509070276575
Energy: 0.3702529795117573
Energy: 0.33383101257563064
Energy: 0.33415090702435607
Energy: 0.3702529795068051
Energy: 0.3338310125723292
Energy: 0.3341509070276575
Energy: 0.3702529795068051
Energy: 0.3338310125838842
Energy: 0.36156619203147594
Energy: 0.37982268054013285
Energy: 0.33781108138236393
Energy: 0.3615661920364281
Energy: 0.3798226805335301
Energy: 0.33781108753507877
Energy: 0.36156619203807877
Energy: 0.37982268054013285
Energy: 0.3378110813856353
Energy: 0.3615661920331267
Energy: 0.34385923044513056
Energy: 0.3632923356266651
Energy: 0.38049152742231557
Energy: 0.34385923045008265
Energy: 0.36329233562501434
Energy: 0.38049152742231557
Energy: 0.34385923044182914
Energy: 0.3632923356217129
Energy: 0.3804915274239663
Energy: 0.3438592304401784
Energy: 0.34251896914474433
Energy: 0.37293500381360706
Energy: 0.36196163911269097
Energy: 0.34251896914309354
Energy: 0.3729350038168784
Energy: 0.36196163911269097
Energy: 0.3425189691381415
Energy: 0.3729350038185292
Energy: 0.3619616391143417
Energy: 0.3425189691381415
Energy: 0.3720222701160454
Energy: 0.35873907826784535
Energy: 0.3531128547695903
Energy: 0.3720222701160454
Energy: 0.3587390782629233
Energy: 0.3531128547695903
Energy: 0.37202227011274397
Energy: 0.35873907826127255
Energy: 0.35311285476793963
Energy: 0.3720222701094426
Energy: 0.34112689664280726
Energy: 0.36640803131858674
Energy: 0.35091382026761897
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Energy: 0.36640803131858674
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Energy: 0.41191536560737263
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Energy: 0.3681963516792967
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Energy: 0.3735969181100849
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Energy: 0.348541473418915
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Energy: 0.33495654458370366
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Energy: 0.348541473418915
Energy: 0.33495654458865576
Energy: 0.3670291940576938
Energy: 0.3767467938362245
Energy: 0.35773002091029255
Energy: 0.3670291940494703
Energy: 0.37674679383457377
Energy: 0.35773002091524464
Energy: 0.3670291940527417
Energy: 0.3767467938378752
Energy: 0.35773002090699113
Energy: 0.36702919405439244
Energy: 0.3523384608081642
Energy: 0.3348214051750428
Energy: 0.35506262172643166
Energy: 0.35233846080651343
Energy: 0.33482059426693306
Energy: 0.3550626217346851
Energy: 0.3523384607999106
Energy: 0.33482140517669345
Energy: 0.3550626217346851
Energy: 0.3523384607982599
Energy: 0.3628274607016228
Energy: 0.35167743382255
Energy: 0.3779403241960223
Energy: 0.36282746069502003
Energy: 0.3516774338258514
Energy: 0.3779403241943716
Energy: 0.3628274606983214
Energy: 0.3516774338308035
Energy: 0.3779403241927209
Energy: 0.36282746069667077
Energy: 0.35465554622098056
Energy: 0.3557809836066069
Energy: 0.3392573072932457
Energy: 0.3546555462226313
Energy: 0.3557809836132097
Energy: 0.33925716096885256
Energy: 0.3546555462292341
Energy: 0.3557809836049562
Energy: 0.3392573073031499
Energy: 0.35465554622428197
Energy: 0.33127736389573786
Energy: 0.34493820921856216
Energy: 0.3723722007389859
Energy: 0.33127736389243645
Energy: 0.34493820921691154
Energy: 0.37237220073733523
Energy: 0.33127736389243645
Energy: 0.34493820922021295
Energy: 0.37237220073733523
Energy: 0.33127736389243645
Energy: 0.3396318680727022
Energy: 0.3819664265895911
Energy: 0.35828159426708883
Energy: 0.339631868079305
Energy: 0.3819664265895911
Energy: 0.35828159426708883
Energy: 0.3396318680727022
Energy: 0.3819664265912418
Energy: 0.358281594272041
Energy: 0.33963186808095575

minimum gb energy = 0.3305194818294744 eV
minimum distance =  2.53775249982326 Angstroms
sigma value = 437


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

Energy: 0.3196605365339202
Energy: 0.3571784591847268
Energy: 0.35704484766362105
Energy: 0.3196605365333188
Energy: 0.3571784591841254
Energy: 0.3570448476618442
Energy: 0.3196605365333188
Energy: 0.3571784591853282
Energy: 0.35704484766362105
Energy: 0.31966053653271737
Energy: 0.32046900654052685
Energy: 0.32003898129471137
Energy: 0.32306560601179646
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Energy: 0.32046900653932414
Energy: 0.36365481871716965
Energy: 0.31525887603428404
Energy: 0.3568929486422874
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Energy: 0.38473930017530256
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Energy: 0.41124398370789167
Energy: 0.3624805858349308
Energy: 0.350951388554133
Energy: 0.3602474601179574
Energy: 0.3303564478205577
Energy: 0.35095138855293023
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Energy: 0.3602474601185588
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Energy: 0.34067490863418076
Energy: 0.3224848253238212
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Energy: 0.34716105490105587
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Energy: 0.3471610549034614
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Energy: 0.3191535596682019
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Energy: 0.3190326627131031
Energy: 0.3269673581332574
Energy: 0.3151756760814194
Energy: 0.3190326627112989
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Energy: 0.3151756760796152
Energy: 0.3190326627125017
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Energy: 0.3151756760814194
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Energy: 0.32388265636870744
Energy: 0.3720619973379659
Energy: 0.32380056382501393
Energy: 0.3238826563669034
Energy: 0.3720619973397701
Energy: 0.3238005638238384
Energy: 0.32388265636870744
Energy: 0.3720619973379659
Energy: 0.32380056382501393
Energy: 0.3238826563669034
Energy: 0.3715310281185347
Energy: 0.3212150313336389
Energy: 0.32247782191928875
Energy: 0.3715310281191361
Energy: 0.321215031330632
Energy: 0.3224778219162818
Energy: 0.3715310281191361
Energy: 0.3212150313336389
Energy: 0.3224778219198901
Energy: 0.3715310281191361
Energy: 0.353516186939667
Energy: 0.34116312824856887
Energy: 0.3961873406308345
Energy: 0.3535161869384642
Energy: 0.3411631282509744
Energy: 0.3961873406314359
Energy: 0.353516186939667
Energy: 0.3411631282497716
Energy: 0.3961873406314359
Energy: 0.3535161869384642
Energy: 0.34993787404469023
Energy: 0.3172019468244696
Energy: 0.3280686025178876
Energy: 0.3499378740464944
Energy: 0.31720194682687514
Energy: 0.32806860251728615
Energy: 0.34993787404469023
Energy: 0.3138025207687322
Energy: 0.3280686025178876
Energy: 0.34993787404769716
Energy: 0.34046621822469053
Energy: 0.31931210635240787
Energy: 0.35024732715312507
Energy: 0.34046621822108225
Energy: 0.31931210635240787
Energy: 0.35024732715132095
Energy: 0.3404662182240891
Energy: 0.31931210635240787
Energy: 0.35024732715312507
Energy: 0.3404662182204809
Energy: 0.3224840315949107
Energy: 0.3750487968977512
Energy: 0.32245246165351554
Energy: 0.322484031593708
Energy: 0.37504879689955534
Energy: 0.32245246165411695
Energy: 0.3224840315955121
Energy: 0.3750487969001567
Energy: 0.32245246165351554
Energy: 0.322484031593708
Energy: 0.3550325186300051
Energy: 0.3193379382217813
Energy: 0.3239033829528639
Energy: 0.355032518628201
Energy: 0.31933793822057854
Energy: 0.3239033829486543
Energy: 0.3550325186300051
Energy: 0.3193379382217813
Energy: 0.32390338294564736
Energy: 0.3550325186288023

minimum gb energy = 0.3138025207687322 eV
minimum distance =  2.55599541399122 Angstroms
sigma value = 33