Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6122690513730054
cohesive_energy=4.26123621847027
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 1.5743900846365378e-20, 1.7571872233394998e-19, 3.38028828417954e-19, 4.45465986964092e-19, 5.017760869426559e-19, 5.286926543938559e-19, 5.5183769804862e-19, 5.722269978929039e-19, 5.902018175497499e-19, 6.06032924870304e-19, 6.199366137001559e-19, 6.32095532175582e-19, 6.426602849001779e-19, 6.51762250357932e-19, 6.595119787365899e-19, 6.66005600634192e-19, 6.713264292357059e-19, 6.755481646662961e-19, 6.787380983445899e-19, 6.80953908629412e-19, 6.822500695263181e-19, 6.8267144198106e-19, 6.822180259936379e-19, 6.80750432196894e-19, 6.780876146311859e-19, 6.74016483804192e-19, 6.682758849245699e-19, 6.60543780488886e-19, 6.50342721860208e-19, 6.3717763645863e-19, 6.204701385192779e-19, 5.995216790297279e-19, 5.734478564880119e-19, 5.411351581335e-19, 5.011608511152e-19, 4.51736906309568e-19, 3.9066834172802395e-19, 3.153083615712e-19, 2.2204565970605996e-19, 1.0547545347546839e-19, -4.12618161613824e-20, -2.275891908597e-19, -4.7127224600793e-19, -8.1481897075338e-19, -1.28771742604482e-18, -1.9211700018294e-18, -2.75859568488852e-18, -3.95739230774634e-18, -5.83701786945612e-18, -8.91636931647144e-18, -1.492480406399922e-17, -2.90625228347796e-17]
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: 0.0186207890520859
Energy: 0.024344339528523405
Energy: 0.15784099306392313
Energy: 0.11247430233215544
Energy: 0.023319707106672204
Energy: 0.02018120302530607
Energy: 0.1145816321000634
Energy: 0.1556256221275392
Energy: 0.11278241888276223
Energy: 0.022309379807944448
Energy: 0.066696552888576
Energy: 0.1143064098309138
Energy: 0.11394262219081418
Energy: 0.12973101899129247
Energy: 0.11554816341126714
Energy: 0.16330916135452858
Energy: 0.1164728677043203
Energy: 0.11530591546882603
Energy: 0.11622981798952677
Energy: 0.11499980144912934
Energy: 0.1585264878628162
Energy: 0.06870801827484065
Energy: 0.019101803831807342
Energy: 0.11179309135855663
Energy: 0.20852106699967787
Energy: 0.15835283124113522
Energy: 0.021655336769676264
Energy: 0.019039626769555777
Energy: 0.11205401402070396
Energy: 0.15776281496536562
Energy: 0.12826931954862034
Energy: 0.019867762833648873
Energy: 0.0706055760557067
Energy: 0.12812290004301444
Energy: 0.11476264463499886
Energy: 0.1282067863908583
Energy: 0.020075019144030426
Energy: 0.06759999391157419
Energy: 0.1271583786137982
Energy: 0.1140538490105745
Energy: 0.12895373774333643
Energy: 0.1160543755188434
Energy: 0.11264943357468919
Energy: 0.07004153075234182
Energy: 0.02057900165034412
Energy: 0.1294023493878152
Energy: 0.11394822549103543
Energy: 0.10785404589488524
Energy: 0.06810243611669088
Energy: 0.11607702296309154
Energy: 0.11399924277518873
Energy: 0.20583944804318222
Energy: 0.10718947991847948
Energy: 0.019909153084447958
Energy: 0.06758461991438464
Energy: 0.11296565063778682
Energy: 0.2143029512616119
Energy: 0.10714273353451392
Energy: 0.0206829688192712
Energy: 0.0665883136791693
Energy: 0.06725004192386537
Energy: 0.1149991547923339
Energy: 0.13018550548302496
Energy: 0.16070942693845336
Energy: 0.10804904036638781
Energy: 0.0680696538097759
Energy: 0.10766286809751709
Energy: 0.13009013908052955
Energy: 0.1601888491556794
Energy: 0.12868511193996438

minimum gb energy = 0.0186207890520859 eV
minimum distance =  2.36699315672293 Angstroms
sigma value = 3


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

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Energy: -1.278419442481173
Energy: -2.3217239103548364
Energy: -0.18217011436737326
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Energy: 0.9671642731211072
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Energy: -0.46198366560480647
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Energy: -0.16928069900961557
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Energy: 0.5197839116171574
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Energy: 0.49289365950111386
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Energy: 0.6946702570683508
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Energy: 0.814440719152704
Energy: 0.5807585447586063
Energy: 0.9609890455917869
Energy: -0.3958623587816024
Energy: 0.07515660990750661
Energy: 0.641663860128073
Energy: 0.3209172802942696
Energy: -1.1364433262132398
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Energy: -1.4477095027993387
Energy: -2.301415973120714
Energy: -2.8455722842162223
Energy: -0.9520795384205406

minimum gb energy = -4.133389389631609 eV
minimum distance =  2.36932433067309 Angstroms
sigma value = 75


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

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Energy: 1.0771272117071549
Energy: 1.1288254394207626
Energy: 0.8112531252724441
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minimum gb energy = 0.5276730489617035 eV
minimum distance =  2.20224842551493 Angstroms
sigma value = 105


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

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Energy: 0.8920537144780055
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Energy: 0.6120019876072295
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Energy: 0.9796445924429931
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Energy: 0.5277117470735472
Energy: 0.6147236962822844
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Energy: 1.097723392752353
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Energy: 0.7669606585533336
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Energy: 1.106264495393111
Energy: 0.7994775657177492
Energy: 0.9467872454169496
Energy: 0.7791644813549355
Energy: 1.0083992609849164
Energy: 0.45645289973596537
Energy: 0.753428936991753
Energy: 0.9732164178050382
Energy: 0.644941802292881
Energy: 1.010958516261814
Energy: 1.1074372756135857
Energy: 0.7455460014231536
Energy: 0.9646422947978752
Energy: 0.8972461933671755
Energy: 1.3672873004387485
Energy: 0.7452980379635947
Energy: 0.9249684856403654
Energy: 0.8273209569876002
Energy: 1.0705394999905786
Energy: 0.542363555031216
Energy: 0.7656990723957345
Energy: 0.9138183382223973
Energy: 0.9323486879232471
Energy: 1.0451819676805962
Energy: 0.9495583452335716
Energy: 1.0467739469098332
Energy: 1.055298493531898
Energy: 0.8976432154139449
Energy: 0.8330164041024636
Energy: 0.8039319348157452
Energy: 1.1455876088316093
Energy: 1.0522175371499651
Energy: 1.1106264306381222
Energy: 0.7196041524929506
Energy: 1.0067006467993307
Energy: 1.002476353076402
Energy: 1.0410879322257267
Energy: 0.6492977239367916
Energy: 0.7199257113089119
Energy: 0.8014490009720642
Energy: 0.9067628416455011
Energy: 1.0408480635784674
Energy: 0.8014237670254297
Energy: 0.7136569620016174
Energy: 0.8671818877869069
Energy: 1.0171461325276188
Energy: 0.9707852136539058
Energy: 0.6618365808359538
Energy: 0.7879436784525782
Energy: 0.7329757311645984
Energy: 1.0326966929897499
Energy: 0.9151239006594086
Energy: 0.7294089563986835
Energy: 0.6297013638783013
Energy: 0.8216147626472844
Energy: 0.9291986882723673
Energy: 0.35684383070240305
Energy: 0.31398129307781236
Energy: 0.2688179496323464
Energy: 0.05360893610552571
Energy: 0.3977758574311307
Energy: 0.23067594802302122
Energy: 0.3082639761698542
Energy: 0.5305931801571665
Energy: 0.0017072755593320226

minimum gb energy = -0.16980894110002434 eV
minimum distance =  2.30883233159387 Angstroms
sigma value = 165


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

Energy: 1.761377686289691
Energy: 0.9185163487325003
Energy: 0.8733625714062391
Energy: 0.9874149308400706
Energy: 0.848447538391833
Energy: 1.6561055120453647
Energy: 0.7198414293755431
Energy: 0.92070910245257
Energy: 0.9104001623458193
Energy: 0.9174265731642193
Energy: 0.9637436068577572
Energy: 1.0319654977019155
Energy: 1.0272227951891908
Energy: 0.9997740504277128
Energy: 1.0478370158136145
Energy: 0.9356813993275657
Energy: 0.9171245907773102
Energy: 1.031362979210859
Energy: 1.0254025196104406
Energy: 1.18789002636373
Energy: 0.966007740065903
Energy: 0.9669222627246532
Energy: 0.9299673066197732
Energy: 0.9546424811875182
Energy: 1.1471425795450747
Energy: 0.9603206481592158
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Energy: 1.0330747515133527
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Energy: 0.999155112731144
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Energy: 0.8810216237097184
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Energy: 1.0020446443960704
Energy: 0.879821744759874
Energy: 1.0212438920193754
Energy: 0.9917276579884926
Energy: 0.9899458353940083
Energy: 0.9193430350665279
Energy: 1.091160155396358
Energy: 0.9854246667886686
Energy: 1.2463801186226962
Energy: 1.0089424503624835
Energy: 1.01736542464934
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Energy: 0.933961802741985
Energy: 1.2027052879186604
Energy: 1.0096531790155843
Energy: 0.9582049650523513
Energy: 0.9135553514160989
Energy: 0.9793068467602313
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Energy: 0.9476275645329534
Energy: 1.1593950142784932
Energy: 0.9953130095493297
Energy: 0.8690969890939998
Energy: 0.9306357226731848
Energy: 0.9736464788512448
Energy: 1.159476929354291
Energy: 1.1032851539273736
Energy: 1.0271428324852365
Energy: 0.9930632390357268
Energy: 0.9961626075072584
Energy: 0.9740285714410842
Energy: 1.0699619233627404
Energy: 1.0424661916963374
Energy: 0.976076906342143
Energy: 0.9291231897946517
Energy: 1.0833395725435808
Energy: 0.9995358433857019
Energy: 1.0479064303397323
Energy: 1.000532123911845
Energy: 0.866321896912814
Energy: 0.8926885688217143
Energy: 1.0112786113498704
Energy: 1.0352854325787604
Energy: 0.9517890259728163
Energy: 1.0144474852559253
Energy: 0.8935077272497839
Energy: 0.9796715443593272
Energy: 1.086069394438538
Energy: 0.9282836799084303
Energy: 0.8819542133541971
Energy: 0.9452095469694856
Energy: 1.1150528841933351
Energy: 1.0845244406407732
Energy: 0.974275799002456
Energy: 0.8785179075867917
Energy: 0.8555346071524713
Energy: 0.9425030371724039
Energy: 1.162939999786449
Energy: 0.9856269812028523
Energy: 0.9308192653119589
Energy: 0.8892809633055683
Energy: 0.8480086086939389
Energy: 0.9058133840087239
Energy: 1.0315939903247318
Energy: 0.9430061841416421
Energy: 1.018487756357884

minimum gb energy = 0.6129197775427472 eV
minimum distance =  2.2556294728553 Angstroms
sigma value = 41


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

Energy: 1.0607512052637844
Energy: 0.7818151897673854
Energy: 0.7461497908244238
Energy: 0.7789338030044269
Energy: 0.6862125650476595
Energy: 0.925897098040348
Energy: 0.683948044971999
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Energy: 0.8245070053836567
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Energy: 0.8834620725848352
Energy: 0.7085070279365424
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Energy: 0.693554828264303
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Energy: 0.9106647565000053
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Energy: 0.8100070070523409
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Energy: 0.8852391202756605
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Energy: 0.9676462004515779
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Energy: 0.7444629972682641
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Energy: 0.9592514787021806
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Energy: 1.2959994582789607
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Energy: 0.9291493810332446
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Energy: 0.8867580208376034
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Energy: 0.7351245381182155
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Energy: 0.8969797931926526
Energy: 0.6750536764559758
Energy: 0.8942553378993232
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Energy: 0.8453146507108309
Energy: 1.132365878584578
Energy: 0.7560677962081399
Energy: 0.8351283796144701
Energy: 0.8690488279015504
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Energy: 0.8532258665022725
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Energy: 0.9597959650945774
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Energy: 0.8904920847418272
Energy: 0.8838576756110494
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Energy: 0.8965575744208604
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Energy: 0.8701065030409992
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Energy: 0.9319351957998225
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Energy: 0.8922309732268346
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Energy: 1.028437589223692
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Energy: 0.8500116522906598
Energy: 0.8547991262942666
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Energy: 1.0807844597353558
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Energy: 0.828122270965693
Energy: 0.8208662936370202
Energy: 1.051570842863757
Energy: 0.8834208700481223
Energy: 1.0287090323127233
Energy: 0.9714394205390195
Energy: 0.6835263792204008
Energy: 0.8458041269919507
Energy: 0.7811149754321699
Energy: 1.0612883922771694
Energy: 0.9138888648532946
Energy: 0.8014099081192299
Energy: 0.8517416664342279
Energy: 0.844059355794204
Energy: 0.8550434278720139
Energy: 0.8107823305030943
Energy: 0.6506866767625075
Energy: 0.8029747739149994
Energy: 0.8363749404203169
Energy: 0.8823015912742485
Energy: 0.8012505967547354
Energy: 0.7442612616172292
Energy: 0.8340524123537515
Energy: 0.8828603196797065
Energy: 0.9649869153487478
Energy: 0.9720323144425003
Energy: 0.7717884402816388
Energy: 0.6866363234409052
Energy: 0.816193716753162
Energy: 0.7483275217391867
Energy: 0.9264493643456
Energy: 0.7818885672769432
Energy: 0.83694228322791
Energy: 0.8743321774407458
Energy: 0.9926172330526838
Energy: 0.8141616398639058
Energy: 0.8310529560125645
Energy: 0.6884271567855935
Energy: 1.5535460889118173
Energy: 0.6834394399654221
Energy: 0.9781847692537768
Energy: 0.8279100519801467
Energy: 0.7636063697794475

minimum gb energy = -0.29383786590615063 eV
minimum distance =  2.30557758523218 Angstroms
sigma value = 185


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

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Energy: 0.695139150090059
Energy: 0.63944272870725
Energy: 0.529754175088105
Energy: 0.4057198519501911
Energy: 0.7619956873649831
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Energy: 0.6590535991695909
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Energy: 0.9704380169370205
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Energy: 0.6662725561394809
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Energy: 0.6806981575200436
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Energy: 0.7920593606534907
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Energy: 0.6025867080869846
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Energy: 0.6115790753197089
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Energy: 0.6344794324949941
Energy: 0.6205783827983379
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Energy: 0.6302263348303028
Energy: 0.8521666631237378
Energy: 0.6281406649434549
Energy: 0.5199040262200154
Energy: 0.532854975667561
Energy: 0.9404622751158397
Energy: 1.1730093963252324
Energy: 0.6784884678234291
Energy: 0.46994508826232284
Energy: 0.4651059189579324
Energy: 0.6643554282156143
Energy: 1.31603608124749
Energy: 0.6659484673529519
Energy: 0.9268293749156742
Energy: 0.7523662206270183
Energy: 0.6147374410081078
Energy: 0.7609117219527047
Energy: 0.5256240018214714
Energy: 0.6301183356641182
Energy: 0.49748314083978684
Energy: 0.6130221609392592
Energy: 0.7925315892089949
Energy: 0.7061846493671704
Energy: 0.688089158002394
Energy: 0.6141428877434153
Energy: 0.7235987032699118
Energy: 0.6023409890622345
Energy: 0.5378710545157415
Energy: 0.39291339031095224
Energy: 0.5128153004895182
Energy: 0.6382737178083764
Energy: 0.7479568048885578
Energy: 0.6941207756775825

minimum gb energy = 0.27916315958011606 eV
minimum distance =  2.36257150101413 Angstroms
sigma value = 33


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

Energy: 0.9547697271965142
Energy: 0.6539187943105015
Energy: 0.7487668061349724
Energy: 0.6521203557688365
Energy: 0.6488096014047176
Energy: 0.7831466984537349
Energy: 0.643530140486932
Energy: 0.746423098296369
Energy: 0.6696283876996527
Energy: 0.6736477208168639
Energy: 0.8150204981045838
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Energy: 0.6343136306773107
Energy: 0.6887777825412215
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Energy: 0.8186724867006312
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Energy: 0.68385267061956
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Energy: 0.8382775558581887
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Energy: 0.7668422832559384
Energy: 0.786920314938382
Energy: 0.7015339185317784
Energy: 0.6651610583534976
Energy: 0.6685096349728795
Energy: 0.6669053243940171
Energy: 0.8066488323140545
Energy: 0.7040133181424696
Energy: 0.6720736890940955
Energy: 0.6881978943557929
Energy: 1.1107111959690588
Energy: 0.75073907458841
Energy: 0.6485341207614086
Energy: 0.7693848270968451
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Energy: 0.7562474774517606
Energy: 0.6675210250663705
Energy: 0.7316729563432003
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Energy: 0.7355947995760415
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Energy: 0.6784414447883041
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Energy: 0.6341584293440775
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Energy: 0.6466935727454989
Energy: 0.7452868043827467
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Energy: 0.7191257204460951
Energy: 0.665185983137591
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Energy: 0.6315375631105834
Energy: 0.7190476420603128
Energy: 0.66689492306255
Energy: 0.6369349089902768
Energy: 0.6686108690027089
Energy: 0.6251041821652
Energy: 0.7725226718038322
Energy: 0.6688067828836746
Energy: 0.8108771398726179
Energy: 0.6364308430472694
Energy: 0.6459205707585928
Energy: 0.6506867468968957
Energy: 0.6676949258527981
Energy: 0.8938020343870434
Energy: 0.635878361644748
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Energy: 0.6680095261626064
Energy: 0.6670748884659023

minimum gb energy = 0.6084405720948723 eV
minimum distance =  2.28599770905698 Angstroms
sigma value = 219


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

Energy: 1.0242736898771017
Energy: 0.9701233331218773
Energy: 1.0317503727789958
Energy: 1.0345780923775003
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Energy: 0.90857584459261
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Energy: 1.132006360294793
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Energy: 0.9867901358860836
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Energy: 0.9803351557988139
Energy: 1.1344739905827288
Energy: 0.9561789117699012
Energy: 0.9876985571710764
Energy: 1.097561745996419
Energy: 0.8788586561725356
Energy: 0.943282666087921
Energy: 0.9453485018402721
Energy: 0.9463000521424693
Energy: 1.0961525014419977
Energy: 0.9450034592045455
Energy: 0.9449402249862119
Energy: 0.9436316636525914
Energy: 0.9427428727792698

minimum gb energy = 0.8788586561725356 eV
minimum distance =  2.2826512444819 Angstroms
sigma value = 15


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

Energy: 2.1455289171352194
Energy: 1.2133275264150438
Energy: 1.3441134162372772
Energy: 1.1419273688754106
Energy: 1.4545610180043897
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Energy: 1.162917364001266
Energy: 1.1764773721574344
Energy: 1.1801076354870508
Energy: 1.1359172757096547
Energy: 1.2847164656885681
Energy: 1.160078986527267
Energy: 1.202676747373203
Energy: 1.3257833508925034
Energy: 1.3758147500059381
Energy: 1.2898803208102791
Energy: 1.1584025302438012
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Energy: 1.3007357289241324
Energy: 1.4404442033283236
Energy: 1.2663226031047525
Energy: 1.0993328192310212
Energy: 1.126800520962946
Energy: 1.2633318635606727
Energy: 1.2559723894227899
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minimum gb energy = 0.9599932643334445 eV
minimum distance =  2.28497600802192 Angstroms
sigma value = 293


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

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Energy: 1.4067844145770505
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Energy: 1.2059698303252377
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Energy: 1.2217518254113573
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Energy: 1.6285555971887122
Energy: 1.0332912047418568
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Energy: 1.3377273349667052
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Energy: 1.4345995986155775
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Energy: 1.2628719014689767
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Energy: 1.154156389365596
Energy: 1.286493015156477
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Energy: 1.3000661025507507
Energy: 1.3742087929410844
Energy: 1.7700222465622726
Energy: 1.2551339215019242
Energy: 1.4146710902225035
Energy: 1.3530285782082314
Energy: 1.2109810467393956
Energy: 1.3107974637284703
Energy: 1.340404615720311
Energy: 1.1101248923586988
Energy: 1.1118616982403553
Energy: 1.251749280637683
Energy: 1.6006662801466225
Energy: 1.38016580414954
Energy: 1.1026525967471148
Energy: 1.1143983634681203
Energy: 1.2522551296141178
Energy: 1.2903162100805525
Energy: 1.1301824087704662
Energy: 1.3074167490186355
Energy: 1.2317706053266662
Energy: 1.217843676252204
Energy: 1.163470729518413
Energy: 1.1294382075724292
Energy: 1.1299992958050813
Energy: 1.232466494031093
Energy: 1.2165017259007442
Energy: 1.2563551406987394
Energy: 1.1734809181755113
Energy: 1.3658572581498178
Energy: 1.1728742059512274
Energy: 1.4232329385089746
Energy: 1.4345883856867534
Energy: 1.1737573426342358
Energy: 1.3646375648416647
Energy: 1.1730732068436507
Energy: 1.4222857067993953
Energy: 1.4402450390107173
Energy: 1.2123956713212252
Energy: 1.308843682238706
Energy: 1.0715427816401337
Energy: 1.3596211711984267
Energy: 1.2082893732947102
Energy: 1.1684592751252938
Energy: 1.2098149191633913
Energy: 1.0702167075313413
Energy: 1.3405931058542937
Energy: 1.2121221146982333
Energy: 1.2143937796271969
Energy: 1.3700507390473682
Energy: 1.3811687758248712
Energy: 1.2170682732214524
Energy: 1.2324879581301176
Energy: 1.23338083526342
Energy: 1.3542279739550334
Energy: 1.4437619229462184
Energy: 1.2206591286184723
Energy: 1.2329129524864773
Energy: 1.3629753411977275
Energy: 1.260957533176939
Energy: 1.2435944207906415
Energy: 1.3922443939909475
Energy: 1.287068648946372
Energy: 1.472610274570335
Energy: 1.2612553028657705
Energy: 1.2216986302385597
Energy: 1.3918881578692626
Energy: 1.3994748455277402

minimum gb energy = 1.0283445652669299 eV
minimum distance =  2.28722346710738 Angstroms
sigma value = 293


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

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Energy: 1.0863775123314336
Energy: 1.2829648495418606
Energy: 1.0954349430188508
Energy: 1.0865683304825748
Energy: 1.4850819297191824
Energy: 1.095061090709146
Energy: 1.637979125403024
Energy: 1.0949377690596753
Energy: 1.086941906387964
Energy: 1.5875239619411328
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Energy: 1.095727083835371
Energy: 1.0959924402546977
Energy: 1.0971689924821133
Energy: 1.0968482741363335
Energy: 1.0963645258463905
Energy: 1.1836764123674621
Energy: 1.0954047260306865
Energy: 1.0970467330196807
Energy: 1.0962308467701933
Energy: 1.6531463416650236
Energy: 1.1839269510786863
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Energy: 1.0904270384872483
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Energy: 1.2835959720205443
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Energy: 1.224428189097511
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Energy: 1.0946501695286508
Energy: 1.095954553200494
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Energy: 1.0947884130055183
Energy: 1.341912449022817
Energy: 1.094529901053881
Energy: 1.0958112795331314
Energy: 1.3263974952063018
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Energy: 1.1835606216488719
Energy: 1.6529457359372188
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Energy: 1.6532003511527347
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Energy: 1.095580310346683
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Energy: 1.0952025662690081
Energy: 1.088549481842991
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Energy: 1.0863501110374836
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Energy: 1.1835924765313817
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Energy: 1.0871572220712518
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Energy: 1.184179280929997
Energy: 1.090932579167327
Energy: 1.0871883818808532
Energy: 1.095201342939476
Energy: 1.1841207467291415
Energy: 1.0951733553681104
Energy: 1.090006540945848
Energy: 1.0901787515204115
Energy: 1.8487899972168833
Energy: 1.096418206574503
Energy: 1.094840518843752
Energy: 1.08722387781479
Energy: 1.0894698938703054
Energy: 1.8488461753696457
Energy: 1.0959201734548434
Energy: 1.0960490467561108
Energy: 1.638713465009767
Energy: 1.09551061665186
Energy: 1.0969703466486387
Energy: 1.08709436725731
Energy: 1.0963460008444024
Energy: 1.6383790426996327
Energy: 1.0964308640671236
Energy: 1.283661384875832
Energy: 1.0867760752358175
Energy: 1.094667554253017
Energy: 1.3431355155551188
Energy: 1.0947424293898491
Energy: 1.0958907730906515
Energy: 1.8344097988084125
Energy: 1.0948734634044794
Energy: 1.3452442928299393
Energy: 1.0944573396587385
Energy: 1.0955504170131667
Energy: 1.3260428797369954
Energy: 1.0945969101712034
Energy: 1.1834025666584735
Energy: 1.6529483432290346
Energy: 1.08813814238291
Energy: 1.0886763817155931
Energy: 1.0950715374824356
Energy: 1.1830228363072897
Energy: 1.6530918840718813
Energy: 1.4826226685953017
Energy: 1.0884260518949926
Energy: 1.0961153666733763
Energy: 1.0876382015228536
Energy: 1.0948095454425315
Energy: 1.087824286344325
Energy: 1.5901943918389645
Energy: 1.0958610493812029
Energy: 1.0957276788433215
Energy: 1.0949343989918543
Energy: 1.0886548581482793
Energy: 1.5895849204233026
Energy: 1.2836740249106289
Energy: 1.097130188533509
Energy: 1.1837524963297832
Energy: 1.095990830315993
Energy: 1.0951934148169535
Energy: 1.2834900728678966
Energy: 1.2833021831902975
Energy: 1.389578346635993
Energy: 1.0953882135157442
Energy: 1.097356197125654
Energy: 1.0896295167109187
Energy: 1.0947615826813732
Energy: 1.0939694532955382
Energy: 1.094641526100034
Energy: 1.3892098076638157
Energy: 1.0888312467234316
Energy: 1.094876998975234
Energy: 1.3419290137612372
Energy: 1.094520277937361
Energy: 1.3892357804038555

minimum gb energy = 1.0863501110374836 eV
minimum distance =  2.31596590636652 Angstroms
sigma value = 15


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

Energy: 1.473347125455918
Energy: 1.1272831636474452
Energy: 1.3425727960963663
Energy: 1.2242928743434898
Energy: 1.0039369587852276
Energy: 1.3979390412612374
Energy: 1.0600899764356757
Energy: 1.3262074295406323
Energy: 1.3149407104095898
Energy: 1.1748230362454894
Energy: 1.256027909069543
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Energy: 1.2210622333121717
Energy: 1.2448654134798818
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Energy: 1.1637615277264421
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Energy: 1.1469001699298267
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Energy: 1.263594181044551
Energy: 1.3138355622258606
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Energy: 1.2769253751305225
Energy: 1.1644043454698922
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Energy: 1.1704661085874521
Energy: 1.2711525636109526
Energy: 1.3051303562399057
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Energy: 1.2600611754326725
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Energy: 1.1407412314861738
Energy: 1.0677143076589752
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Energy: 1.0880446946872513
Energy: 1.1549502882624383
Energy: 1.0974244665826263
Energy: 1.3542434922655506
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Energy: 1.1721405551562472
Energy: 1.0672547935543697
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Energy: 1.2781452431347988
Energy: 1.1453368787915348
Energy: 1.0751023122660435
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Energy: 1.1538613884690707
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Energy: 1.352526127475862
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Energy: 1.2466667364849058
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Energy: 1.3277158639250146
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Energy: 1.2296321243675485
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Energy: 1.38041166438069
Energy: 1.3772114074634587
Energy: 1.2564666699061808
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Energy: 1.3708874720739992
Energy: 1.1651081977116398
Energy: 1.1788599900088914
Energy: 1.2594271504761931
Energy: 1.606564953446374
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Energy: 1.158199513441354
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Energy: 1.183341094583703
Energy: 1.0995688802700188
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Energy: 1.3609368331919778
Energy: 1.1472659441162687
Energy: 1.3684132501170834
Energy: 1.3599581474590967
Energy: 1.2168457338029117
Energy: 1.1685345197573973
Energy: 1.157861783476474
Energy: 1.5142863745989092
Energy: 1.2699188784414481
Energy: 1.195006065460491
Energy: 1.1660649505962628
Energy: 1.2721691718046277
Energy: 1.2185036883002152
Energy: 1.1594754306520147
Energy: 1.1721527592157823
Energy: 1.156832767006505
Energy: 1.4384264149374297
Energy: 1.225660832450875
Energy: 1.1463701231865249
Energy: 1.2001949996290957
Energy: 1.1601114310505476
Energy: 1.4603261858645213
Energy: 1.1616625462255266
Energy: 1.2227070587160098
Energy: 1.3029240941346591
Energy: 1.1029535702831719
Energy: 1.4095584488057824
Energy: 1.1623983280483938
Energy: 1.2119858391544525
Energy: 1.2778740750209479
Energy: 1.1089634593113251
Energy: 1.3089047173575894
Energy: 1.3707126024138474
Energy: 1.0909109127515946
Energy: 1.2242269071354641
Energy: 1.1735258936656163
Energy: 1.5202335396932094
Energy: 1.3440739628120233
Energy: 1.134423994338306
Energy: 1.1391514507981895
Energy: 1.1649040860093371
Energy: 1.243782391507484
Energy: 1.169947517739102
Energy: 1.1665359959316584
Energy: 1.0639988294010472
Energy: 1.1449364414845538
Energy: 1.2264204151999238
Energy: 1.184159616039865
Energy: 1.1948562957477542
Energy: 1.0557800038900724
Energy: 1.1471758858894767
Energy: 1.2818462662307288
Energy: 1.3644961467717036
Energy: 1.2794657109452707
Energy: 1.1380577608582476
Energy: 1.1426135288401489
Energy: 1.318632348874097
Energy: 1.3431329284636648
Energy: 1.313117557043771
Energy: 1.202857821963524
Energy: 1.1464163225692177
Energy: 1.339561481404126
Energy: 1.3038122665512408
Energy: 1.4478496022200775
Energy: 1.3101777720610532
Energy: 1.3873097369599046
Energy: 1.2664705219321986
Energy: 1.3069186093951473
Energy: 1.3577864573746943
Energy: 1.2299788329579526
Energy: 1.4491177037099519
Energy: 1.215392769514249
Energy: 1.277059091439464
Energy: 1.3445887000188828
Energy: 1.2493998289609767
Energy: 1.220568114633062
Energy: 1.1988504390266095
Energy: 1.165016387384494
Energy: 1.3364534865971731
Energy: 1.203169364293048
Energy: 1.2671107869127802
Energy: 1.2498740558044255
Energy: 1.4055882514880627
Energy: 1.4016215564240513
Energy: 1.3371814849795896
Energy: 1.1450334399174165
Energy: 1.2185154691904736
Energy: 1.4006781144785547
Energy: 1.372495022661575
Energy: 1.3785926198456597
Energy: 1.1225550448586967
Energy: 1.0978042386097657
Energy: 1.3298822375280746
Energy: 1.285976029589297
Energy: 1.1428834073299183
Energy: 1.0721059263953392
Energy: 1.0866011323959675
Energy: 1.351543481235222
Energy: 1.2628611559837535
Energy: 1.176219305806741
Energy: 1.0985884718553682
Energy: 1.1630872460567234
Energy: 1.5490526044262323
Energy: 1.2117880039098363
Energy: 1.0781481784851896
Energy: 1.1496696071486026
Energy: 1.1911748979510175
Energy: 1.2979640836883857
Energy: 1.1696900307809501
Energy: 1.0891083024036723
Energy: 1.1158129032118653
Energy: 1.2322541622670884
Energy: 1.5154534446129133
Energy: 1.1828050159537313
Energy: 1.3221562437510337
Energy: 1.1846535648682504
Energy: 1.239512122729262
Energy: 1.1745664323919245
Energy: 1.229816331045631
Energy: 1.5673064539346906
Energy: 1.1588403543550392
Energy: 1.2934602675757598
Energy: 1.1408152925158412
Energy: 1.169518973612583
Energy: 1.4757861120496303
Energy: 1.0720890246965573
Energy: 1.3492477908779485
Energy: 1.1486764972331671
Energy: 1.1248035157274754
Energy: 1.489083029551422
Energy: 1.1286233357847457
Energy: 1.1448258405382048
Energy: 1.1961249686717912
Energy: 1.1295125343423664
Energy: 1.323934575450467
Energy: 1.1527034252013428
Energy: 1.1756814935365734
Energy: 1.2077901270061726
Energy: 1.2036801067321385
Energy: 1.2351012056709876
Energy: 1.1648571336310485
Energy: 1.13716913836262
Energy: 1.3970886215968592
Energy: 1.4109650185230223
Energy: 1.3131096895383587
Energy: 1.1697966080522777
Energy: 1.1507525732645498
Energy: 1.2789812729518686
Energy: 1.407854280119506
Energy: 1.2180934686525997
Energy: 1.2243488849533175
Energy: 1.5734078974011578
Energy: 1.2573166341847872
Energy: 1.0981822363510152
Energy: 1.5240911676120956
Energy: 1.2089050275665867
Energy: 1.6803240626145266
Energy: 1.1131703965381032
Energy: 1.5288785220782015
Energy: 1.4095860443073716
Energy: 1.2371882912011312

minimum gb energy = 1.0039369587852276 eV
minimum distance =  2.22672643556049 Angstroms
sigma value = 437


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

Energy: 1.954790890874294
Energy: 1.181388517780103
Energy: 1.1269950058465419
Energy: 1.0837740984625337
Energy: 1.1620250357509403
Energy: 1.7835889999440115
Energy: 1.359844831847079
Energy: 1.1472883748276486
Energy: 1.238948097921443
Energy: 0.9512588484268413
Energy: 1.1196288888559796
Energy: 1.1458951355965874
Energy: 1.235203575281243
Energy: 1.2276215017022845
Energy: 1.2040750030605845
Energy: 1.1438720989017603
Energy: 1.2035991210056336
Energy: 1.2440104012701676
Energy: 1.1850855000448801
Energy: 0.4623246063158063
Energy: 0.95858596237568
Energy: 1.0458984236480748
Energy: 1.0528495211236226
Energy: 1.1353324485963445
Energy: 1.2176925176763338
Energy: 0.9850346725452175
Energy: 1.0588346701582863
Energy: 1.3498199478171296
Energy: 1.1352856895462637
Energy: 1.1078417548210377
Energy: 1.016395399721261
Energy: 0.9771381518329003
Energy: 1.1474812731040747
Energy: 1.0059049060205514
Energy: 1.091269734255936
Energy: 0.9807639269504694
Energy: 1.1015910325485625
Energy: 1.1204634945904255
Energy: 1.007719139337814
Energy: 1.1334996677763336
Energy: 0.9243046530865817
Energy: 1.0959608141846175
Energy: 1.210637914916008
Energy: 1.0452980297562022
Energy: 1.0503746566137435
Energy: 0.946677772091811
Energy: 1.1101848961386946
Energy: 1.2790001067112058
Energy: 1.0828250680579339
Energy: 1.0616170436573467
Energy: 1.100682690078397
Energy: 1.0717359653331342
Energy: 1.089123078477366
Energy: 0.9282929386283261
Energy: 1.6156990545701109
Energy: 1.0434962648889088
Energy: 1.0779159291769815
Energy: 1.1245641506463468
Energy: 0.9294563412444546
Energy: 1.6258612426165537
Energy: 1.0210364226848658
Energy: 1.0285424581093698
Energy: 1.1224634813919405
Energy: 1.0944498071563329
Energy: 1.0801743617897823
Energy: 1.0475675225185122
Energy: 1.0888716600808332
Energy: 1.1141728006228173
Energy: 1.0538507785073414
Energy: 1.080387724078277
Energy: 1.1787972830494442
Energy: 0.9663886055869801
Energy: 1.2320272406482056
Energy: 1.2589067658959403
Energy: 1.0835960222993875
Energy: 1.1190567569490915
Energy: 1.0514954572890751
Energy: 1.1544042324138235
Energy: 1.3234395924075033
Energy: 1.075248360754338
Energy: 1.0058509252584495
Energy: 1.2928704809573228
Energy: 1.0484627052564035
Energy: 1.3450483334908898
Energy: 1.0136096562049515
Energy: 0.9341345080286872
Energy: 1.147998164226494
Energy: 1.070003068599776
Energy: 1.3441550920128493
Energy: 0.9969582162876224
Energy: 1.1193303716968357
Energy: 1.6013790811590816
Energy: 1.030481751996589
Energy: 1.0788241358350439
Energy: 1.0298161718864378
Energy: 0.9426062886463125
Energy: 1.4335262404099194
Energy: 1.0047351928091943
Energy: 1.0519738388202735
Energy: 1.0459126136331007
Energy: 1.0479851352588272
Energy: 1.0205156277417278
Energy: 1.0740769562496075
Energy: 1.3377482216081762
Energy: 1.069874236167761
Energy: 1.1027264735061015
Energy: 1.0213028282024557
Energy: 1.0723025497290686
Energy: 1.3341459924138763
Energy: 1.0072772499074365
Energy: 0.9718903799311047
Energy: 0.9583893156283743
Energy: 1.0197234072301051
Energy: 1.0796223954304758
Energy: 0.9088891613140888
Energy: 0.9603800990869059
Energy: 0.9573696915141868
Energy: 1.0637285498897033
Energy: 1.0758089094974195
Energy: 0.9083595705308068
Energy: 1.0228005625245378
Energy: 1.032366533691225
Energy: 1.4481579900733996
Energy: 1.3581726584998786
Energy: 1.1600530355614374
Energy: 1.0344093761746922
Energy: 1.0791949849594444
Energy: 1.4336611279404936
Energy: 1.315556329548115
Energy: 1.085604739650052
Energy: 1.4016725764509939
Energy: 1.0411605981055703
Energy: 1.3959847363798696
Energy: 0.7460830942638592
Energy: 1.045135121294497
Energy: 1.1744083798031748
Energy: 1.0423489337722496
Energy: 1.2053991503785741
Energy: 1.2171058091034768
Energy: 1.2246784528313726

minimum gb energy = 0.4623246063158063 eV
minimum distance =  2.28896156889093 Angstroms
sigma value = 33