Model name: model_name=Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_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=2.8553245961666107
cohesive_energy=4.122759316666127
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: 0.014457439507793976
Energy: 0.015078823450055167
Energy: 0.01473495235267703
Energy: 1.5070959406338797
Energy: 0.014734952352440064
Energy: 0.015078823450055167
Energy: 0.01445743950800461
Energy: 0.015078823450739739
Energy: 0.014734952352440064
Energy: 1.5070959406338797
Energy: 0.6736937412413101
Energy: 0.015531322802686516
Energy: 0.016817935741868163
Energy: 0.6633611986450642
Energy: 0.016817935742342097
Energy: 0.015531322803160446
Energy: 0.6736937412413101
Energy: 0.015531322802923481
Energy: 0.016817935742342097
Energy: 0.6633611986441424
Energy: 0.014457439507793976
Energy: 0.01507882345050277
Energy: 0.014734952352913997
Energy: 1.507095940634117
Energy: 0.014734952352440064
Energy: 0.015078823450265804
Energy: 0.01445743950800461
Energy: 0.015078823450739739
Energy: 0.01473495235267703
Energy: 2.0949164839547043
Energy: 0.673693741241784
Energy: 0.015531322803160446
Energy: 0.01681793574210513
Energy: 0.6633611986450642
Energy: 0.016817935742342097
Energy: 0.015531322803160446
Energy: 0.6736937412413101
Energy: 0.015531322803397415
Energy: 0.016817935742342097
Energy: 0.6633611986450642
Energy: 0.014457439507793976
Energy: 0.015078823450265804
Energy: 0.014734952352440064
Energy: 1.5070959406343274
Energy: 0.014734952351992462
Energy: 0.01507882345050277
Energy: 0.01445743950800461
Energy: 0.015078823450265804
Energy: 0.014734952352440064
Energy: 1.8326378509348584
Energy: 0.673693741241784
Energy: 0.015531322803160446
Energy: 0.01681793574210513
Energy: 0.6633611986450642
Energy: 0.016817935742342097
Energy: 0.015531322802923481
Energy: 0.673693741241547
Energy: 0.015531322803160446
Energy: 0.016817935742342097
Energy: 0.6633611986453012
Energy: 0.014457439507793976
Energy: 0.01507882345050277
Energy: 0.01473495235267703
Energy: 2.094916483954941
Energy: 0.014734952352203099
Energy: 0.015078823450265804
Energy: 0.01445743950800461
Energy: 0.01507882345050277
Energy: 0.014734952352440064
Energy: 1.8326378509573176

minimum gb energy = 0.014457439507793976 eV
minimum distance =  2.23976762704584 Angstroms
sigma value = 3


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

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Energy: 1.3465941781295485
Energy: 1.424916092684022
Energy: 1.449890741579129
Energy: 1.4185593378645485
Energy: 1.3501504643687567
Energy: 1.4662169191994059
Energy: 1.3465941781091169
Energy: 1.424916092684022
Energy: 1.4498907415785613
Energy: 1.388746492972704
Energy: 1.2829049110745854
Energy: 1.397054998089117
Energy: 1.4975299395243273
Energy: 1.317202667216927
Energy: 1.2870371348566179
Energy: 1.3887464929738391
Energy: 1.2829049110524513
Energy: 1.397054998089117
Energy: 1.4975299395243273
Energy: 1.3416373968491448
Energy: 1.2950550534050096
Energy: 1.308211666488238
Energy: 1.312695785117142
Energy: 1.4116674530304045
Energy: 1.2617463234313027
Energy: 1.3416373968491448
Energy: 1.2950550533942262
Energy: 1.3082116664888053
Energy: 1.312695785117142
Energy: 1.4050696488094894
Energy: 1.2793932781314195
Energy: 1.263161295982426
Energy: 1.3025858785211386
Energy: 1.2613426624510864
Energy: 1.3151931734030786
Energy: 1.4050696488089216
Energy: 1.2793932781314195
Energy: 1.2631612959829939
Energy: 1.3025858785211386
Energy: 1.2887750135925262
Energy: 1.2889120554212867
Energy: 1.2897697475866852
Energy: 1.2790035463311167
Energy: 1.361009112867353
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Energy: 1.2887750135919585
Energy: 1.2889120554207194
Energy: 1.289769747589523
Energy: 1.2790035463311167
Energy: 1.4787482327502113
Energy: 1.3086743937549528
Energy: 1.2894683193276826
Energy: 1.2639230501974936
Energy: 1.3096630730036005
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Energy: 1.4787482327513464
Energy: 1.3086743937555203
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Energy: 1.2639230501986287
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Energy: 1.2639748367407917
Energy: 1.3825470383811436
Energy: 1.3008491958392117
Energy: 1.279932983240094
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Energy: 1.2811127228199373
Energy: 1.263974836741359
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Energy: 1.3008491958397794
Energy: 1.3672436148233011
Energy: 1.412675266795428
Energy: 1.267691954079399
Energy: 1.2847860346096163
Energy: 1.3040594364363143
Energy: 1.356435433134744
Energy: 1.3672436148215987
Energy: 1.412675266738725
Energy: 1.2676919540118607
Energy: 1.284786034611319
Energy: 1.3414462186032048
Energy: 1.3974019453151625
Energy: 1.3311335328961973
Energy: 1.4330808009476157
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Energy: 1.3414462186032048
Energy: 1.3974019453145947
Energy: 1.3311335328950622
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Energy: 1.3835473889345231
Energy: 1.3203255551770512
Energy: 1.4784508976935502
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Energy: 1.234072801877186
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Energy: 1.234072801876051
Energy: 1.3025835262260461
Energy: 1.4075151885084556
Energy: 1.2694775771009688
Energy: 1.2893029158316798
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Energy: 1.279283680259395
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Energy: 1.2796847340843203
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Energy: 1.294346785034528
Energy: 1.2695600715767652
Energy: 1.3515189090128665
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Energy: 1.3335168066996013
Energy: 1.294346785034528
Energy: 1.2695600715767652
Energy: 1.407858579666775
Energy: 1.3023987919466047
Energy: 1.2345014221757877
Energy: 1.2997245386572367
Energy: 1.3026996261604815
Energy: 1.3752341607572318
Energy: 1.4078585796673424
Energy: 1.3023987919454696
Energy: 1.2345014221774904
Energy: 1.2997245386572367
Energy: 1.3010510747978385
Energy: 1.3383221693395968
Energy: 1.316423516332617
Energy: 1.3676314893220713
Energy: 1.3402106334640773
Energy: 1.291782769143334
Energy: 1.3010510747978385
Energy: 1.3383221693390293
Energy: 1.316423516332617
Energy: 1.3676314893220713
Energy: 1.4757651711657438
Energy: 1.3199064252002226
Energy: 1.385820470547167
Energy: 1.3452611729378599
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Energy: 1.4228581492079913
Energy: 1.4757651711651762
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Energy: 1.3452611729361577
Energy: 1.4278634931951932
Energy: 1.3304023460257035
Energy: 1.3991790916091842
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Energy: 1.407440720745391
Energy: 1.3262537899647124
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Energy: 1.3991790916091842
Energy: 1.3412737138914756
Energy: 1.2843143384965792
Energy: 1.2676919541099951
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Energy: 1.3671204063502749
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Energy: 1.3040634931398525
Energy: 1.2843143384960116
Energy: 1.2676919539897264
Energy: 1.4131144657159018
Energy: 1.3671204063497073
Energy: 1.3011345889172508
Energy: 1.3824936006468762
Energy: 1.2913245230038224
Energy: 1.2807561508298095
Energy: 1.395212270582505
Energy: 1.28002291816752
Energy: 1.301134588918386
Energy: 1.3824936006463084
Energy: 1.291324523003255
Energy: 1.2807561508286742
Energy: 1.2631068964266903
Energy: 1.2898854581143384
Energy: 1.3091080648503182
Energy: 1.478748232747941
Energy: 1.2954466352950649
Energy: 1.309452471627564
Energy: 1.2631068964317982
Energy: 1.2898854581137706
Energy: 1.3091080648503182
Energy: 1.4787482327485086
Energy: 1.2789114350464028
Energy: 1.289270595108146
Energy: 1.289330942509206
Energy: 1.2892061857286023
Energy: 1.26910169069951
Energy: 1.3610291132861343
Energy: 1.2789114350464028
Energy: 1.289270595108146
Energy: 1.2893309425103414
Energy: 1.2892061857286023
Energy: 1.3022517244101741
Energy: 1.2636259599448552
Energy: 1.279131906690176
Energy: 1.4050779732268217
Energy: 1.314934326159518
Energy: 1.262621443426648
Energy: 1.3022517244096068
Energy: 1.2636259599442874
Energy: 1.2791319066896083
Energy: 1.4050779732268217
Energy: 1.3126957851250873
Energy: 1.2825328570573573
Energy: 1.2959679903261538
Energy: 1.3424572277451385
Energy: 1.263066071820348
Energy: 1.4125016230063736
Energy: 1.31269578512452
Energy: 1.282532857057925
Energy: 1.2959679903267214
Energy: 1.3424572277434361
Energy: 1.4975831684732297
Energy: 1.4002289512488304
Energy: 1.2824918159379681
Energy: 1.3715392838652682
Energy: 1.2880920792280615
Energy: 1.3171744734970854
Energy: 1.4975831684732297
Energy: 1.4002289512493977
Energy: 1.282491815979915
Energy: 1.3715392838647005
Energy: 1.449890741579129
Energy: 1.4185593378622783
Energy: 1.3501504643653517
Energy: 1.4662169192011085
Energy: 1.3465941781136572
Energy: 1.424916092682371
Energy: 1.4498907415785613
Energy: 1.4185593378617107
Energy: 1.350150464359676
Energy: 1.4662169191999734
Energy: 1.4975299395248949
Energy: 1.317202667216927
Energy: 1.2870371348560503
Energy: 1.3887464929721365
Energy: 1.2829049110796935
Energy: 1.3970549980908196
Energy: 1.4975299395248949
Energy: 1.317202667216927
Energy: 1.2870371348560503
Energy: 1.3887464929738391
Energy: 1.312695785117142
Energy: 1.4116674530304045
Energy: 1.261746323434708
Energy: 1.3416373968480098
Energy: 1.2950550533925234
Energy: 1.3082116664899406
Energy: 1.312695785117142
Energy: 1.411667453027567
Energy: 1.2617463234290325
Energy: 1.3416373968480098
Energy: 1.3025858785228412
Energy: 1.2613426624488162
Energy: 1.3151931734025113
Energy: 1.4050696488089216
Energy: 1.2793932781314195
Energy: 1.2631612959818588
Energy: 1.3025858785211386
Energy: 1.2613426624488162
Energy: 1.3151931734030786
Energy: 1.4050696488089216

minimum gb energy = 1.234072801876051 eV
minimum distance =  2.21525583004928 Angstroms
sigma value = 75


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

Energy: 1.5964997054783654
Energy: 1.4932722097603728
Energy: 1.4519628647524863
Energy: 1.529781085435021
Energy: 1.4376283447633729
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Energy: 1.324943103194201
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Energy: 1.409599335433107
Energy: 1.4688937671332827
Energy: 1.3250142091878057
Energy: 1.3511229257930548
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Energy: 1.3250263114605716
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Energy: 1.3152136085582045
Energy: 1.4455859623968854
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Energy: 1.314974412244076
Energy: 1.4323428855826341
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Energy: 1.4213583743550262
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Energy: 1.4180519012698343
Energy: 1.5870262799646069
Energy: 1.4447517833834231
Energy: 1.3967200036936838
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minimum gb energy = 1.3140544797202693 eV
minimum distance =  2.21382402704223 Angstroms
sigma value = 105


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

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Energy: 1.3016025523968238
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Energy: 1.3128517206938346
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Energy: 1.5053086452115265
Energy: 1.3247393405895425
Energy: 1.3257611714765454
Energy: 1.5207696796702277
Energy: 1.3128517206938346
Energy: 1.5214839112457124
Energy: 1.3548857210563734
Energy: 1.346447824682874
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Energy: 1.3847908913126465
Energy: 1.3329887895870434
Energy: 1.5214839112453997
Energy: 1.3548857210654055
Energy: 1.3464478246825615
Energy: 1.3581725203686053
Energy: 1.4226653641900526
Energy: 1.3550912426869892
Energy: 1.5176658048382565
Energy: 1.4415545931086486
Energy: 1.41275539496388
Energy: 1.4129439425692991
Energy: 1.4226653641900526
Energy: 1.3550912428568918
Energy: 1.5176658048385692
Energy: 1.4415545931092733
Energy: 1.4172593427261222
Energy: 1.3319094917805128
Energy: 1.3805001021030543
Energy: 1.3239645821546755
Energy: 1.4231692304995054
Energy: 1.3615354860463857
Energy: 1.4172593427261222
Energy: 1.3319094917802001
Energy: 1.380500102103367
Energy: 1.3239645821553003
Energy: 1.3290228474994086
Energy: 1.3323689821507585
Energy: 1.374849881264817
Energy: 1.3130758348454454
Energy: 1.5375351199258933
Energy: 1.3091062155592297
Energy: 1.329022847499096
Energy: 1.3323689821513836
Energy: 1.374849881265726
Energy: 1.3130758348454454
Energy: 1.3250872704908134
Energy: 1.408570108666578
Energy: 1.34685781739071
Energy: 1.35769653697545
Energy: 1.4157975073173783
Energy: 1.3255706188140233
Energy: 1.325087270491126
Energy: 1.408570108666578
Energy: 1.3468578173910226
Energy: 1.3576965369751373
Energy: 1.502234266547316
Energy: 1.403403917435023
Energy: 1.3436406063979032
Energy: 1.3664330178258042
Energy: 1.3536505386368192
Energy: 1.5045270054770958
Energy: 1.5022342665470036
Energy: 1.4034039174340858
Energy: 1.3436406063979032
Energy: 1.3664330178261166

minimum gb energy = 1.2856882499307538 eV
minimum distance =  2.23191938836677 Angstroms
sigma value = 165


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

Energy: 1.3635575210511246
Energy: 1.6005844796654927
Energy: 1.3205751816376434
Energy: 1.5728347226766382
Energy: 1.3204410474324582
Energy: 1.6005656575648564
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Energy: 1.6005844796654927
Energy: 1.3205751816365705
Energy: 1.5728347226787345
Energy: 1.3172665686621403
Energy: 1.3247293489971812
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Energy: 1.369568189839687
Energy: 1.261989978615418
Energy: 1.4532047909213135
Energy: 1.3532014792345215
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Energy: 1.33699153006071
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Energy: 1.2823979857331242
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Energy: 1.3155492901841472
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Energy: 1.2614195217097242
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Energy: 1.3602984227671755
Energy: 1.309141082095661
Energy: 1.318512228825083
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Energy: 1.3392369147409808
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Energy: 1.3602984227671755
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Energy: 1.318512228825083
Energy: 1.3244551084751792
Energy: 1.3580784097657628
Energy: 1.2899645466182832
Energy: 1.3437792861109612
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Energy: 1.3352226916433667
Energy: 1.260250671202351
Energy: 1.3580784097657628
Energy: 1.2899645466225733
Energy: 1.3437792861109612
Energy: 1.4528966054988646
Energy: 1.257645529141314
Energy: 1.3945056389225483
Energy: 1.3366641837629036
Energy: 1.2967227711696592
Energy: 1.2385648070398367
Energy: 1.25815656108276
Energy: 1.257645529141314
Energy: 1.3945056389225483
Energy: 1.3366641837629036
Energy: 1.2967227711696592
Energy: 1.259168133365792
Energy: 1.3532014792355944
Energy: 1.4532750888691948
Energy: 1.2619966428481146
Energy: 1.3869569436668792
Energy: 1.3338400824861123
Energy: 1.259168133365792
Energy: 1.3532014792345215
Energy: 1.4532750888691948
Energy: 1.2619966428491876
Energy: 1.3686587351565258
Energy: 1.3245313147255677
Energy: 1.3245912599116465
Energy: 1.31736870821088
Energy: 1.2587431287126187
Energy: 1.2385091591307342
Energy: 1.368658735155453
Energy: 1.32453131472664
Energy: 1.324591259939533
Energy: 1.317368708211904
Energy: 1.395404100549516
Energy: 1.3204410474313855
Energy: 1.6005656575648564
Energy: 1.363557521046859
Energy: 1.6005844796654927
Energy: 1.3205751816376434
Energy: 1.3954041006695945
Energy: 1.3204410474313855
Energy: 1.6005656575648564
Energy: 1.3635575210447137

minimum gb energy = 1.2385091591307342 eV
minimum distance =  2.21341043003214 Angstroms
sigma value = 41


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

Energy: 1.3780419020061314
Energy: 1.2411265374175686
Energy: 1.1646545421730525
Energy: 1.6325027678833879
Energy: 1.165474350210015
Energy: 1.2430636000727548
Energy: 1.3780419019969763
Energy: 1.2411265374179847
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Energy: 1.2604205147182201
Energy: 1.1918563257090928
Energy: 1.14944102503723
Energy: 1.171357115564029
Energy: 1.3055666587713244
Energy: 1.1632929132709702
Energy: 1.2604205147194685
Energy: 1.2191914445618313
Energy: 1.2284989145990275
Energy: 1.308558565449268
Energy: 1.1404395597569845
Energy: 1.1564755380702614
Energy: 1.2951413386912765
Energy: 1.2191914445622472
Energy: 1.22849891459986
Energy: 1.308558565449268
Energy: 1.140439559758233
Energy: 1.2442312444006152
Energy: 1.2134406068452632
Energy: 1.2593248974137559
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Energy: 1.1646944477064518
Energy: 1.244231244398118
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Energy: 1.2593248974145883
Energy: 1.1809252714658933
Energy: 1.2319793615862882
Energy: 1.2168744847901665
Energy: 1.3280877873565415
Energy: 1.1641058479934165
Energy: 1.360621108265743
Energy: 1.1644072521847144
Energy: 1.2319793615858718
Energy: 1.2168744847934576
Energy: 1.3280877873561252
Energy: 1.1641058479934165
Energy: 1.158427822832673
Energy: 1.2136865425932548
Energy: 1.2508802391238985
Energy: 1.1636003321496855
Energy: 1.258349111490486
Energy: 1.1835634407500208
Energy: 1.158427822832673
Energy: 1.2136865425932548
Energy: 1.2508802391247305
Energy: 1.1636003321492692
Energy: 1.3124517367323816
Energy: 1.22898122338904
Energy: 1.2279753324470306
Energy: 1.3140889586470097
Energy: 1.1545765481992132
Energy: 1.1537050033303746
Energy: 1.3124517367323816
Energy: 1.22898122338904
Energy: 1.227975332447447
Energy: 1.3140889586474256
Energy: 1.1634535644894124
Energy: 1.316960370498722
Energy: 1.2135698039627913
Energy: 1.154009886818307
Energy: 1.1831389643438406
Energy: 1.2819173869317764
Energy: 1.1634535644894124
Energy: 1.316960370498306
Energy: 1.2135698039627913
Energy: 1.1540098868187232
Energy: 1.1635230513860153
Energy: 1.3520094608881916
Energy: 1.2145223773269536
Energy: 1.2306830010351273
Energy: 1.164762129142553
Energy: 1.3588966880920768
Energy: 1.1635230513855994
Energy: 1.3520094608886077
Energy: 1.2145223773360707
Energy: 1.2306830010359593
Energy: 1.1797152832911484
Energy: 1.2621168896138266
Energy: 1.2133293853992484
Energy: 1.2505376543313043
Energy: 1.1634698595840915
Energy: 1.2606499381620502
Energy: 1.1797152832911484
Energy: 1.2621168896142427
Energy: 1.213329385398832
Energy: 1.2505376543308884
Energy: 1.1570439621932622
Energy: 1.316516969286033
Energy: 1.2374308826501716
Energy: 1.2195550511696767
Energy: 1.3140446367033125
Energy: 1.1564516316187308
Energy: 1.157043962192846
Energy: 1.316516969286449
Energy: 1.2374308826497558
Energy: 1.2195550511696767
Energy: 1.286398748342192
Energy: 1.1635593789704055
Energy: 1.3129274823902075
Energy: 1.1864634375864338
Energy: 1.1605502686407263
Energy: 1.1910443520875147
Energy: 1.286398748343024
Energy: 1.1635593789699896
Energy: 1.3129274823902075
Energy: 1.1864634375868504
Energy: 1.3130581115844373
Energy: 1.1639369026030246
Energy: 1.382352019439219
Energy: 1.219651718291261
Energy: 1.2303330663603873
Energy: 1.258211829697483
Energy: 1.313058111584021
Energy: 1.1639369026034405
Energy: 1.382352019439635
Energy: 1.2196517182463549
Energy: 1.262031908850802
Energy: 1.181636162229142
Energy: 1.2667400662399158
Energy: 1.2133605767318474
Energy: 1.2511340109057807
Energy: 1.1670553877269534
Energy: 1.262031908850802
Energy: 1.181636162229974
Energy: 1.2667400662399158
Energy: 1.2133605767314313

minimum gb energy = 1.1404395597569845 eV
minimum distance =  2.26811216290382 Angstroms
sigma value = 185


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

Energy: 1.374533086770306
Energy: 1.1371149349750527
Energy: 1.393592451022305
Energy: 1.597734385688621
Energy: 1.3937025468896558
Energy: 1.1372537384313306
Energy: 1.374533086770306
Energy: 1.1371149349750527
Energy: 1.393592451021811
Energy: 1.5977343856891149
Energy: 1.4199917681074654
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Energy: 1.1144045540127616
Energy: 1.136185619976725
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Energy: 1.2355343971431876
Energy: 1.4199917681084535
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Energy: 1.7094381222090416
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Energy: 1.7094381222095356
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Energy: 1.4537381150105138
Energy: 1.3929911177364405
Energy: 1.4725546007186217
Energy: 1.1371490725968556
Energy: 1.136333854841911
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Energy: 1.11505320960098
Energy: 1.6871897519668106
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Energy: 1.421518608806628
Energy: 1.4250322512020412
Energy: 1.37065555582203
Energy: 1.6871897519663166
Energy: 1.114480383013592
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Energy: 1.4215186088046519
Energy: 1.1386397354785929
Energy: 1.3045254599044067
Energy: 1.235284689382464
Energy: 1.1364680955733653
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Energy: 1.136468095573859
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Energy: 1.3049186127216457
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Energy: 1.1378827420472
Energy: 1.1145025548552467
Energy: 1.687416308057537
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Energy: 1.1140624804829995
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Energy: 1.1150420891645556
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Energy: 1.1374511475756188
Energy: 1.4706025336383108
Energy: 1.3926215501996635
Energy: 1.453738115011996
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Energy: 1.7091657327924914
Energy: 1.1361320605558602
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Energy: 1.3926215501991697
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Energy: 1.7091657327924914
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Energy: 1.1143797212264517
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Energy: 1.1143797212269455
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Energy: 1.4197352832467158
Energy: 1.597734385688621
Energy: 1.3937025468891617
Energy: 1.1372537384342944
Energy: 1.374533086770306
Energy: 1.1371149349750527
Energy: 1.393592451021811
Energy: 1.597734385688621
Energy: 1.3937025468891617
Energy: 1.1372537384338006
Energy: 1.374533086770306
Energy: 1.136185619976725
Energy: 1.1358924399642336
Energy: 1.2355343971431876
Energy: 1.4199917681074654
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Energy: 1.136185619976231
Energy: 1.1358924399637396
Energy: 1.2355343971436816
Energy: 1.4199917681079595
Energy: 1.3929911177374281
Energy: 1.137375776702417
Energy: 1.1364784230394755
Energy: 1.7094381222100294
Energy: 1.1359195139881355
Energy: 1.4537381150115016
Energy: 1.3929911177364405
Energy: 1.137375776702417
Energy: 1.1364784230394755
Energy: 1.7094381222090416
Energy: 1.11505320960098
Energy: 1.1151040616035572
Energy: 1.1149091400328663
Energy: 1.4725546007186217
Energy: 1.1371490725968556
Energy: 1.136333854841911
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Energy: 1.1151040616030632
Energy: 1.1149091400294082
Energy: 1.4725546007181278
Energy: 1.421518608810086
Energy: 1.4250322512020412
Energy: 1.37065555582203
Energy: 1.6871897519663166
Energy: 1.114480383014086
Energy: 1.137837927902482
Energy: 1.421518608808604
Energy: 1.4250322512010534
Energy: 1.3706555558210423
Energy: 1.6871897519677987
Energy: 1.1364680955733653
Energy: 1.1360003664490412
Energy: 1.2811431862306901
Energy: 1.1386397354751803
Energy: 1.304525459911772
Energy: 1.235284689385922
Energy: 1.136468095573859
Energy: 1.1360003664480534
Energy: 1.281143186231184
Energy: 1.1651543199136942
Energy: 1.1391551422575814
Energy: 1.2803751194228676
Energy: 1.1361359411745917
Energy: 1.1364601249981379
Energy: 1.235284689382464
Energy: 1.3049186127216457
Energy: 1.1391551422580752
Energy: 1.2803751194253377
Energy: 1.1361359411780496
Energy: 1.136460124998632
Energy: 1.6874163080570432
Energy: 1.370875921925374
Energy: 1.4275879516822447
Energy: 1.421914194790534
Energy: 1.1378827420472
Energy: 1.1145025548552467
Energy: 1.6874163080580311
Energy: 1.3708759219248803
Energy: 1.4275879516827386
Energy: 1.421914194788064
Energy: 1.4706025336388047
Energy: 1.1140624804820116
Energy: 1.1152195528708873
Energy: 1.1150420891645556
Energy: 1.1360552401735422
Energy: 1.1374511475761129
Energy: 1.4706025336392987
Energy: 1.1140624804805297
Energy: 1.1152195528708873
Energy: 1.1150420891645556
Energy: 1.7091657327924914
Energy: 1.1361320605558602
Energy: 1.1373280264273833
Energy: 1.3926215502001578
Energy: 1.453738115011996
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Energy: 1.7091657327924914
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Energy: 1.3926215501981816
Energy: 1.419735283245728
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Energy: 1.1361838401379445
Energy: 1.1143797212264517
Energy: 1.1383194693567606
Energy: 1.419735283245728
Energy: 1.2355343971441755
Energy: 1.1359188619944633
Energy: 1.1361838401379445
Energy: 1.374533086770306
Energy: 1.1371149349760405
Energy: 1.393592451022305
Energy: 1.597734385688621
Energy: 1.3937025468891617
Energy: 1.1372537384323187
Energy: 1.374533086770306
Energy: 1.1371149349760405
Energy: 1.393592451022305
Energy: 1.597734385688621
Energy: 1.4199917681084535
Energy: 1.138592050107356
Energy: 1.1144045540122676
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Energy: 1.1358924399642336
Energy: 1.2355343971446695
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Energy: 1.138592050107356
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Energy: 1.1361856199757372
Energy: 1.7094381222100294
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Energy: 1.7094381222090416
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Energy: 1.3929911177364405
Energy: 1.4725546007186217
Energy: 1.1371490725958673
Energy: 1.136333854841911
Energy: 1.11505320960098
Energy: 1.1151040616030632
Energy: 1.1149091400200226
Energy: 1.4725546007186217
Energy: 1.1371490725958673
Energy: 1.136333854841911
Energy: 1.11505320960098
Energy: 1.6871897519663166
Energy: 1.114480383013098
Energy: 1.137837927902482
Energy: 1.4215186088046519
Energy: 1.4250322511995714
Energy: 1.37065555582203
Energy: 1.6871897519663166
Energy: 1.1144803830121102
Energy: 1.137837927902976
Energy: 1.4215186088011942
Energy: 1.138639735478099
Energy: 1.3045254599172058
Energy: 1.2352846893814762
Energy: 1.136468095573859
Energy: 1.1360003664485472
Energy: 1.2811431862351361
Energy: 1.1386397354785929
Energy: 1.3045254599122658
Energy: 1.2352846893849339
Energy: 1.1364680955733653
Energy: 1.1364601249981379
Energy: 1.2352846893795
Energy: 1.3049186127236216
Energy: 1.1391551422570874
Energy: 1.2803751194263255
Energy: 1.1361359411740977
Energy: 1.136460124998632
Energy: 1.2683192258668148
Energy: 1.3049186127221397
Energy: 1.1391551422580752
Energy: 1.421914194789546
Energy: 1.1378827420472
Energy: 1.1145025548566838
Energy: 1.687416308057537
Energy: 1.3708759219248803
Energy: 1.4275879516812566
Energy: 1.42191419479004
Energy: 1.1378827420472
Energy: 1.1145025548552467
Energy: 1.6874163080570432
Energy: 1.1150420891645556
Energy: 1.1360552401740363
Energy: 1.1374511475756188
Energy: 1.4706025336378168
Energy: 1.1140624804805297
Energy: 1.1152195528698992
Energy: 1.1150420891645556
Energy: 1.1360552401740363
Energy: 1.1374511475756188
Energy: 1.4706025336392987
Energy: 1.3926215501996635
Energy: 1.453738115011996
Energy: 1.1359033603368276
Energy: 1.7091657327919976
Energy: 1.1361320605558602
Energy: 1.1373280264273833
Energy: 1.3926215501986758
Energy: 1.4537381150115016
Energy: 1.1359033603373216
Energy: 1.7091657327924914
Energy: 1.1361838401384385
Energy: 1.1143797212269455
Energy: 1.1383194693562666
Energy: 1.419735283245728
Energy: 1.2355343971426935
Energy: 1.1359188619939693
Energy: 1.1361838401384385
Energy: 1.1143797212264517
Energy: 1.1383194693557726
Energy: 1.4197352832462218

minimum gb energy = 1.1140624804805297 eV
minimum distance =  2.18334495684457 Angstroms
sigma value = 33


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

Energy: 1.5140621766038016
Energy: 1.4646350686738332
Energy: 1.4219899877772713
Energy: 1.6754243699362277
Energy: 1.4219299932022285
Energy: 1.4651055682680645
Energy: 1.5140621766035307
Energy: 1.4646350686738332
Energy: 1.4219899877772713
Energy: 1.6754243699359563
Energy: 1.4882290865219827
Energy: 1.4562300398006416
Energy: 1.2216417060473244
Energy: 1.3439867224810362
Energy: 1.2678790265200546
Energy: 1.2351951494141393
Energy: 1.4882290865217114
Energy: 1.4562300398009125
Energy: 1.2216417060356635
Energy: 1.3439867224810362
Energy: 1.3863243051523233
Energy: 1.253048540341849
Energy: 1.4164429697546148
Energy: 1.5040187547664985
Energy: 1.2398699364448076
Energy: 1.2414591659918928
Energy: 1.3863243051525946
Energy: 1.253048540341849
Energy: 1.4164429697554282
Energy: 1.5040187547664985
Energy: 1.288159331646055
Energy: 1.248803651808775
Energy: 1.341304957707059
Energy: 1.4903714056625132
Energy: 1.461324521987933
Energy: 1.4466147088784336
Energy: 1.2881593316457836
Energy: 1.248803651808775
Energy: 1.3413049577073304
Energy: 1.4903714056625132
Energy: 1.3417142215216098
Energy: 1.2217918971399955
Energy: 1.304265479964215
Energy: 1.446507853657285
Energy: 1.3723476440662843
Energy: 1.487556276570052
Energy: 1.341714221521881
Energy: 1.2217918971402668
Energy: 1.3042654799620457
Energy: 1.446507853657285
Energy: 1.5130230583733932
Energy: 1.2491050249089175
Energy: 1.2541074269802401
Energy: 1.2419308852899404
Energy: 1.2394708871394369
Energy: 1.4538457324457896
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Energy: 1.2541074269802401
Energy: 1.2419308852899404
Energy: 1.2201913289163355
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Energy: 1.4802357333186864
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Energy: 1.3440350999358164
Energy: 1.2201913288965638
Energy: 1.4290718255967019
Energy: 1.4802357333186864
Energy: 1.2574932397949563
Energy: 1.4217681296932125
Energy: 1.4568135246613103
Energy: 1.4815278722851999
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Energy: 1.4219813298413981
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Energy: 1.456813524660768
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Energy: 1.4886185767859232
Energy: 1.2673480177743885
Energy: 1.242105864246741
Energy: 1.492475923449012
Energy: 1.4296300367301047
Energy: 1.3126146335853976
Energy: 1.3439601526079574
Energy: 1.2673480177741174
Energy: 1.242105864246741
Energy: 1.492475923448741
Energy: 1.429630036727664
Energy: 1.2390045589186809
Energy: 1.2418054670468515
Energy: 1.3833800060535955
Energy: 1.2494512037942869
Energy: 1.4021592892690908
Energy: 1.5025251482966846
Energy: 1.2390045589186809
Energy: 1.2418054670465803
Energy: 1.3833800060554937
Energy: 1.2494512037942869
Energy: 1.4688981528766458
Energy: 1.4196574463702725
Energy: 1.3572769025094622
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Energy: 1.3527557869346625
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Energy: 1.4688981528769174
Energy: 1.4196574463700014
Energy: 1.3572769025091913
Energy: 1.2218756390525194
Energy: 1.3544713644327098
Energy: 1.487941958888747
Energy: 1.3732868955465465
Energy: 1.2487763047276195
Energy: 1.3005763779321249
Energy: 1.4462514565204638
Energy: 1.354471364432981
Energy: 1.487941958888747
Energy: 1.3732868955468176
Energy: 1.2487763047276195
Energy: 1.2396246166778366
Energy: 1.311831859113869
Energy: 1.5130859606831575
Energy: 1.249450885529857
Energy: 1.2335762027747792
Energy: 1.2416878473326034
Energy: 1.2396246166775655
Energy: 1.3118318591130553
Energy: 1.513085960682886
Energy: 1.2494508855301278
Energy: 1.2370858173829573
Energy: 1.3438888751820701
Energy: 1.4959393610676908
Energy: 1.377069278165594
Energy: 1.4799626016604936
Energy: 1.2335187700285688
Energy: 1.2370858173824149
Energy: 1.3438888751815277
Energy: 1.4959393610671483
Energy: 1.3770692781658653
Energy: 1.3925751526060963
Energy: 1.3400786485385834
Energy: 1.4217534791919502
Energy: 1.4597541429808163
Energy: 1.4800385725308132
Energy: 1.4875239738300101
Energy: 1.3925751526060963
Energy: 1.3400786485388547
Energy: 1.421753479191679
Energy: 1.4597541429810872
Energy: 1.220930256608095
Energy: 1.3445142214336065
Energy: 1.2676260264715122
Energy: 1.2421013433518413
Energy: 1.3336253364827075
Energy: 1.4824272386200774
Energy: 1.2209302566078237
Energy: 1.3445142214336065
Energy: 1.2676260264715122
Energy: 1.2421013433512988
Energy: 1.2971949401926341
Energy: 1.441758882954887
Energy: 1.2394362196866857
Energy: 1.2426081475100037
Energy: 1.260052231632417
Energy: 1.2490502500550202
Energy: 1.2971949401926341
Energy: 1.4417588829551582
Energy: 1.2394362196888555
Energy: 1.2426081475100037
Energy: 1.3529327755542242
Energy: 1.4898473205920373
Energy: 1.4695255261583398
Energy: 1.4155716338801256
Energy: 1.3580061644464103
Energy: 1.222006231679593
Energy: 1.3529327755542242
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Energy: 1.4216538256405484
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Energy: 1.444538625927502
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Energy: 1.3211141666231407
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Energy: 1.4843290374992748
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Energy: 1.5231045404648844
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Energy: 1.4990910199590906
Energy: 1.2207063602295234
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Energy: 1.523104540464613
Energy: 1.4623327554476444
Energy: 1.3924233999013063
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Energy: 1.2300763050681927
Energy: 1.242014012639581
Energy: 1.234020482723103
Energy: 1.4276689203083357
Energy: 1.392423399901035
Energy: 1.2559528913394193
Energy: 1.2300763050681927
Energy: 1.2420140126398522
Energy: 1.3397861823789081
Energy: 1.4162182864370134
Energy: 1.387262452693587
Energy: 1.242075759302682
Energy: 1.2339634718812416
Energy: 1.2497104102875878
Energy: 1.3397861823808062
Energy: 1.4162182864367425
Energy: 1.387262452693587
Energy: 1.2420757593029537
Energy: 1.353698567300473
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Energy: 1.4197046518501988
Energy: 1.527586255811494
Energy: 1.353698567300473
Energy: 1.4861834602473076
Energy: 1.4688411915465167
Energy: 1.3261216611172726

minimum gb energy = 1.1995640495339346 eV
minimum distance =  2.21490603853598 Angstroms
sigma value = 219


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

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Energy: 1.2213254873061479
Energy: 1.1866330997656667
Energy: 1.8353720500347923
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Energy: 1.2237746006327923
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Energy: 1.187236602772547
Energy: 1.1833718074803026
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Energy: 1.2085038911692032
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Energy: 1.1865506066515077
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Energy: 1.2213332266217283
Energy: 1.1865506066509774
Energy: 1.3643024720972796
Energy: 1.1868010838045873
Energy: 1.3637578887004227

minimum gb energy = 1.1827355449487558 eV
minimum distance =  2.30963538976292 Angstroms
sigma value = 15


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

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Energy: 1.4331600682121868
Energy: 1.3244237756636386
Energy: 1.6558545510934017
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Energy: 1.3408372846345762
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Energy: 1.407156225338231
Energy: 1.321920882494809
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Energy: 1.3048116479280232
Energy: 1.4427701027714943
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minimum gb energy = 1.3041867905693778 eV
minimum distance =  2.22386467187571 Angstroms
sigma value = 293


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

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Energy: 1.2992624848156251
Energy: 1.3560659104889305
Energy: 1.3775414766234741
Energy: 1.3135787825253296
Energy: 1.420263540645381
Energy: 1.3884176969504192
Energy: 1.3568897128421689
Energy: 1.3744384405129195
Energy: 1.5063479815327692
Energy: 1.3135787825245187
Energy: 1.420263540645381
Energy: 1.3884176969500137
Energy: 1.3568897128417634
Energy: 1.517940203253655
Energy: 1.4327302813898215
Energy: 1.374809642215091
Energy: 1.6584508432601424
Energy: 1.3779105325790422
Energy: 1.43294613568804
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Energy: 1.3748096422146856
Energy: 1.6584508432597371
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Energy: 1.5062303020506318
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Energy: 1.3570819135669363
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Energy: 1.420793272708631
Energy: 1.3138043950349911
Energy: 1.5062303020498211
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Energy: 1.3570819135673415
Energy: 1.4397659626212649
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Energy: 1.3776726638582324
Energy: 1.3560659104889305
Energy: 1.2992618751093894
Energy: 1.4397659626212649
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Energy: 1.3776726638602594
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Energy: 1.4341020140467944
Energy: 1.3397238479781204
Energy: 1.4803729073106866
Energy: 1.4160796776838496
Energy: 1.3882797189019471
Energy: 1.5701800212972314
Energy: 1.3125727887621814
Energy: 1.3397238479777147
Energy: 1.4803729073102814
Energy: 1.416079677684255
Energy: 1.3882797189023524
Energy: 1.347161504413735
Energy: 1.3639738852518246
Energy: 1.352844989687148
Energy: 1.522809200776997
Energy: 1.382543859108274
Energy: 1.412562024275998
Energy: 1.3471615044129241
Energy: 1.3639738852518246
Energy: 1.3528449896855264
Energy: 1.5228092007765917
Energy: 1.379992345335542
Energy: 1.4267704705233337
Energy: 1.4241274425680628
Energy: 1.4757246362014893
Energy: 1.4065072686162385
Energy: 1.4828747536178297
Energy: 1.3799923453351364
Energy: 1.4267704705241444
Energy: 1.4241274425680628
Energy: 1.4757246361982461
Energy: 1.3879820283704791
Energy: 1.403075291246784
Energy: 1.403082002267898
Energy: 1.3882301871915084
Energy: 1.3449204153299106
Energy: 1.3448713895148097
Energy: 1.3879820283700737
Energy: 1.403075291246784
Energy: 1.403082002267898
Energy: 1.388230187191103
Energy: 1.476057694306962
Energy: 1.4250448508038087
Energy: 1.3803322920541514
Energy: 1.3801343088145988
Energy: 1.4828404183107464
Energy: 1.4073518845791746
Energy: 1.4760576943065569
Energy: 1.4250448508034033
Energy: 1.3803322920561785
Energy: 1.3801343088145988
Energy: 1.5224971985597822
Energy: 1.3527474630395122
Energy: 1.3639505417522324
Energy: 1.3470879643516709
Energy: 1.41285775618946
Energy: 1.3827002036860734
Energy: 1.5224971985593767
Energy: 1.3527474630391068
Energy: 1.3639505417522324
Energy: 1.3470879643504545
Energy: 1.390936773831166
Energy: 1.4162559279621445
Energy: 1.4803729073082543
Energy: 1.3394876922284333
Energy: 1.3123253336029261
Energy: 1.5701800213016905
Energy: 1.390936773831166
Energy: 1.4162559279613338
Energy: 1.4803729073082543
Energy: 1.3394876922284333
Energy: 1.4373870873521315
Energy: 1.5077984637301078
Energy: 1.3977378462892385
Energy: 1.3944069156236016
Energy: 1.3883878278185549
Energy: 1.3781534760231404
Energy: 1.4373870873517258
Energy: 1.5077984637297026
Energy: 1.3977378462888332
Energy: 1.394406915720453

minimum gb energy = 1.2992618751093894 eV
minimum distance =  2.21452971505449 Angstroms
sigma value = 293


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

Energy: 1.1247726280558283
Energy: 1.3832219344891845
Energy: 1.1549288133591324
Energy: 1.7435699905195081
Energy: 1.1549344540727071
Energy: 1.383397728059414
Energy: 1.1247726280558283
Energy: 1.383221936765421
Energy: 1.1549288133569346
Energy: 1.7435699905187756
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Energy: 1.8124033293660435
Energy: 1.154944213342811
Energy: 1.547429235699594
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Energy: 1.230598697882426
Energy: 1.8124033293667763
Energy: 1.154944213342811
Energy: 1.5474292356988613
Energy: 1.198246645867064
Energy: 1.1207597232159872
Energy: 1.5041583260324305
Energy: 1.1208613075271974
Energy: 1.2776499800527037
Energy: 1.15744297006102
Energy: 1.198246645867064
Energy: 1.1207597232167197
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Energy: 1.1207548455268566
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Energy: 1.383221936296692
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Energy: 1.7435699905195081
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Energy: 1.3833977281150995
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Energy: 1.3832219356998068
Energy: 1.5698856740382412
Energy: 1.1554742838514467
Energy: 1.230598697882426
Energy: 1.8124033293660435
Energy: 1.1549442133442762
Energy: 1.5474292356988613
Energy: 1.569885674038974
Energy: 1.1554742838521792
Energy: 1.2305986978831587
Energy: 1.812403329364578
Energy: 1.2776499800534367
Energy: 1.1574429700602873
Energy: 1.1982466458677965
Energy: 1.1207597232174527
Energy: 1.5041583260338958
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Energy: 1.277649980054902
Energy: 1.1574429700602873
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Energy: 1.2303576164404804
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Energy: 1.5041486591119946
Energy: 1.120754845528322
Energy: 1.1981766572116432
Energy: 1.1574378592368368
Energy: 1.2303576164412129
Energy: 1.1208635078255444
Energy: 1.5041486591112618
Energy: 1.1207548455290548
Energy: 1.5697876663143895
Energy: 1.5636934109792322
Energy: 1.1550455205258525
Energy: 1.8124033293689743
Energy: 1.230596256064792
Energy: 1.1555627537888984
Energy: 1.5697876663151222
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Energy: 1.8124033293675088
Energy: 1.1549288133584001
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Energy: 1.1549344540734399
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Energy: 1.1247726280558283
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Energy: 1.1549288133584001
Energy: 1.7435699905195081
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Energy: 1.383397728008891
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Energy: 1.5698856740382412
Energy: 1.1554742838507137
Energy: 1.2305986978831587
Energy: 1.8124033293653108
Energy: 1.1549442133435435
Energy: 1.5474292356988613
Energy: 1.569885674038974
Energy: 1.155474283852912
Energy: 1.5041583260331632
Energy: 1.1208613075286629
Energy: 1.2776499800534367
Energy: 1.15744297006102
Energy: 1.198246645867064
Energy: 1.1207597232159872
Energy: 1.5041583260338958
Energy: 1.1208613075264648
Energy: 1.2776499800541692
Energy: 1.15744297006102
Energy: 1.1981766572116432
Energy: 1.1574378592368368
Energy: 1.2303576164412129
Energy: 1.1208635078226137
Energy: 1.5041486591119946
Energy: 1.120754845528322
Energy: 1.1981766572101777
Energy: 1.1574378592368368
Energy: 1.2303576164397474
Energy: 1.1208635078240792
Energy: 1.230596256064792
Energy: 1.1555627537881659
Energy: 1.5697876663143895
Energy: 1.4950647662249388
Energy: 1.1550455205265853
Energy: 1.8124033293682418
Energy: 1.2305962560662573
Energy: 1.1555627537903639
Energy: 1.5697876663151222
Energy: 1.38145198981842
Energy: 1.1247726280558283
Energy: 1.3832219368005574
Energy: 1.1549288133584001
Energy: 1.7435699905195081
Energy: 1.1549344540749054
Energy: 1.3833977280608794
Energy: 1.1247726280558283
Energy: 1.383221936204405
Energy: 1.1549288133591324
Energy: 1.7435699905195081
Energy: 1.2305986978838914
Energy: 1.8124033293653108
Energy: 1.1549442133457417
Energy: 1.5474292356988613
Energy: 1.569885674038974
Energy: 1.1554742838507137
Energy: 1.2305986978831587
Energy: 1.8124033293660435
Energy: 1.154944213342811
Energy: 1.547429235699594
Energy: 1.1982466458699947
Energy: 1.1207597232181852
Energy: 1.5041583260316977
Energy: 1.1208613075293956
Energy: 1.277649980054902
Energy: 1.1574429700602873
Energy: 1.1982466458677965
Energy: 1.1207597232159872
Energy: 1.5041583260324305
Energy: 1.1208613075271974
Energy: 1.5041486591127273
Energy: 1.1207548455297873
Energy: 1.1981766572153068
Energy: 1.1574378592368368
Energy: 1.2303576164397474
Energy: 1.1208635078240792
Energy: 1.5041486591112618
Energy: 1.1207548455290548
Energy: 1.198176657212376
Energy: 1.1574378592368368
Energy: 1.1550455205258525
Energy: 1.7275212735703471
Energy: 1.230596256064059
Energy: 1.1555627537888984
Energy: 1.5697876663151222
Energy: 1.4314728332038722
Energy: 1.155045520527318
Energy: 1.7275212735696144
Energy: 1.230596256064792
Energy: 1.1555627537896311
Energy: 1.1549344540741724
Energy: 1.3833977280374665
Energy: 1.1247726280558283
Energy: 1.3832219377753499
Energy: 1.1549288133584001
Energy: 1.7363112014801467
Energy: 1.1549344540741724
Energy: 1.3833977282425227
Energy: 1.1247726280558283
Energy: 1.383221936956556
Energy: 1.569885674038974
Energy: 1.1554742838536447
Energy: 1.2305986978831587
Energy: 1.8124033293653108
Energy: 1.154944213345009
Energy: 1.5474292356988613
Energy: 1.569885674038974
Energy: 1.1554742838521792
Energy: 1.2305986978838914
Energy: 1.8124033293653108

minimum gb energy = 1.120754845526124 eV
minimum distance =  2.27711503900586 Angstroms
sigma value = 15


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

Energy: 1.5635700686286453
Energy: 1.3310512610946024
Energy: 1.3838131700294256
Energy: 1.7421227338826568
Energy: 1.3838159370787921
Energy: 1.3310520705208504
Energy: 1.563570068629642
Energy: 1.3310512610946024
Energy: 1.3838131700297576
Energy: 1.7421227338826568
Energy: 1.3918559776300605
Energy: 1.5162126415135575
Energy: 1.3824781846954037
Energy: 1.3626083183267337
Energy: 1.3775760605661145
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Energy: 1.3824781846954037
Energy: 1.3626083183264015
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Energy: 1.447997998302307
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Energy: 1.318496163917186
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Energy: 1.4047794097075532
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Energy: 1.329025103391524
Energy: 1.4060707945135886
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Energy: 1.325904153587698
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Energy: 1.4605991302251924
Energy: 1.3362355131744588
Energy: 1.4079469906674036
Energy: 1.3259041535880303
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Energy: 1.2990090577579358
Energy: 1.4183973609326184
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Energy: 1.3796083888672759
Energy: 1.4652707330397319
Energy: 1.2990090577586002
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Energy: 1.319278389748865
Energy: 1.332149310416499
Energy: 1.4746691343950522
Energy: 1.3553152936664163
Energy: 1.3789997612385254
Energy: 1.5566492144245625
Energy: 1.3801576054131903
Energy: 1.425769126570963
Energy: 1.4746691343953844
Energy: 1.355315293673391
Energy: 1.3789997612388576
Energy: 1.556649214423234
Energy: 1.2828429978380718
Energy: 1.4742840967855433
Energy: 1.3780283138847396
Energy: 1.3659891997218467
Energy: 1.4696808770450103
Energy: 1.3765781163968454
Energy: 1.2828429978380718
Energy: 1.4742840967855433
Energy: 1.3780283138850717
Energy: 1.3659891997218467
Energy: 1.3313638250359667
Energy: 1.3791033589610848
Energy: 1.3698598215484385
Energy: 1.368822140076772
Energy: 1.355538862560714
Energy: 1.4784058218511786
Energy: 1.3313638250362987
Energy: 1.3791033589607524
Energy: 1.3698598215464457
Energy: 1.368822140076772
Energy: 1.4646374052264701
Energy: 1.3795510702571758
Energy: 1.3575404531292854
Energy: 1.3068494969556106
Energy: 1.3933322596536302
Energy: 1.3689629658296183
Energy: 1.46463740523112
Energy: 1.3795510702568436
Energy: 1.357540453128621
Energy: 1.3068494969556106
Energy: 1.2890749137802824
Energy: 1.4345622758050118
Energy: 1.3668765778224201
Energy: 1.3727000682740615
Energy: 1.361287789081332
Energy: 1.402940810440491
Energy: 1.289074913779286
Energy: 1.4345622758043477
Energy: 1.3668765778224201
Energy: 1.3727000682740615
Energy: 1.289852902335418
Energy: 1.4389614731391958
Energy: 1.3504979314198409
Energy: 1.376035137595361
Energy: 1.3259917732808841
Energy: 1.3622496362192513
Energy: 1.2898529023357501
Energy: 1.438961473139528
Energy: 1.3504979314198409
Energy: 1.3760351375950288
Energy: 1.4708266834938084
Energy: 1.2977444735030275
Energy: 1.3852305580435722
Energy: 1.295530435991671
Energy: 1.3824017984347905
Energy: 1.3789291048227548
Energy: 1.4708266834220982
Energy: 1.2977444735030275
Energy: 1.3852305580419115
Energy: 1.295530435991671
Energy: 1.427681310616843
Energy: 1.4532990534716936
Energy: 1.3514970234927377
Energy: 1.3220934839149738
Energy: 1.3858905980910776
Energy: 1.3791470575233007
Energy: 1.4276813106155144
Energy: 1.4532990534936145
Energy: 1.3514970234920733
Energy: 1.3220934839146417
Energy: 1.3492348846197075
Energy: 1.384936553718953
Energy: 1.4572556642591752
Energy: 1.3733559039581895
Energy: 1.378994610926723
Energy: 1.4730663346190547
Energy: 1.3492348846200397
Energy: 1.3849365537199496
Energy: 1.4572556642598395
Energy: 1.3733559039581895
Energy: 1.447110612872721
Energy: 1.3852831419228016
Energy: 1.440083252139315
Energy: 1.5442534801179133
Energy: 1.3807397330750957
Energy: 1.3550077667747196
Energy: 1.447110612872721
Energy: 1.3852831419228016
Energy: 1.4400832521389828
Energy: 1.5442534801175811
Energy: 1.3469994481220868
Energy: 1.4574029166499167
Energy: 1.3514536356648876
Energy: 1.3325683077125174
Energy: 1.3215927726947931
Energy: 1.3916383687467964
Energy: 1.3469994481217547
Energy: 1.4574029166499167
Energy: 1.3514536356648876
Energy: 1.3325683077128496
Energy: 1.3698630815655983
Energy: 1.3361016326965693
Energy: 1.499892437404107
Energy: 1.3655917484216793
Energy: 1.3833516283286584
Energy: 1.3241260833489754
Energy: 1.3698630815646018
Energy: 1.336101632697898
Energy: 1.499892437405103
Energy: 1.3655917484213473
Energy: 1.3805032519292684
Energy: 1.2819986631687676
Energy: 1.488983224990323
Energy: 1.3487893738089547
Energy: 1.3731953168111144
Energy: 1.3299472836037114
Energy: 1.3805032519481997
Energy: 1.2819986631681037
Energy: 1.4889832249913195
Energy: 1.3487893738092869
Energy: 1.3477096684564456
Energy: 1.421561475949857
Energy: 1.2848210316356627
Energy: 1.3104701359371107
Energy: 1.3110084613350945
Energy: 1.374309558574482
Energy: 1.3477096684574417
Energy: 1.4215614759531787
Energy: 1.284821031635995
Energy: 1.3104701359374427
Energy: 1.3721768026127794
Energy: 1.4983261490676618
Energy: 1.4554967879690222
Energy: 1.368133303464027
Energy: 1.3181658619040477
Energy: 1.4054776207537583
Energy: 1.3721768026127794
Energy: 1.4983261490669975
Energy: 1.455496787963044
Energy: 1.3681333034643592
Energy: 1.4076694701678074
Energy: 1.3606458316808985
Energy: 1.4441948896746966
Energy: 1.4300271423530126
Energy: 1.3611967460806962
Energy: 1.3199239718658051
Energy: 1.4076694701678074
Energy: 1.3606458316805663
Energy: 1.4441948896740322
Energy: 1.4300271423530126
Energy: 1.2902313438646547
Energy: 1.400372175330975
Energy: 1.3856357606884766
Energy: 1.4372750694334997
Energy: 1.439238282680508
Energy: 1.3669909600357706
Energy: 1.2902313438619977
Energy: 1.4003721753319716
Energy: 1.3856357606884766
Energy: 1.4372750694328356
Energy: 1.3667723974440211
Energy: 1.3623752766271184
Energy: 1.388286799418716
Energy: 1.3279088256478069
Energy: 1.4719638789792115
Energy: 1.3123078982161653
Energy: 1.366772397443689
Energy: 1.3623752766267863
Energy: 1.388286799418716
Energy: 1.3279088256478069
Energy: 1.3224366021501022
Energy: 1.3523109922026733
Energy: 1.4601350709599668
Energy: 1.5447128009443425
Energy: 1.3620828708535888
Energy: 1.443374608523681
Energy: 1.3224366021474454
Energy: 1.3523109922033376
Energy: 1.4601350709606309
Energy: 1.5447128009446747
Energy: 1.2971615822235605
Energy: 1.3282211453835064
Energy: 1.3327506317046245
Energy: 1.515240002655383
Energy: 1.4037048826464882
Energy: 1.3621817725363383
Energy: 1.2971615822235605
Energy: 1.3282211453835064
Energy: 1.3327506317046245
Energy: 1.51524000266269
Energy: 1.3748980898307301
Energy: 1.3487637016844307
Energy: 1.4613795361247632
Energy: 1.2893048327922672
Energy: 1.3791466076638375
Energy: 1.2957631252951776
Energy: 1.374898089830398
Energy: 1.3487637016847627
Energy: 1.4613795361250954
Energy: 1.2893048327982457

minimum gb energy = 1.2819986631681037 eV
minimum distance =  2.25657244882757 Angstroms
sigma value = 437


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

Energy: 1.4739082310982634
Energy: 1.5495670716550511
Energy: 1.3837655781749498
Energy: 1.8013161740530959
Energy: 1.3972856976938683
Energy: 1.457573435691686
Energy: 1.4739082310982634
Energy: 1.549567071656261
Energy: 1.3837655781749498
Energy: 1.8013161740530959
Energy: 1.3909750054057186
Energy: 1.5193667781470868
Energy: 1.3637707308193456
Energy: 1.3610873739882414
Energy: 1.4514556430544236
Energy: 1.3970952272843438
Energy: 1.3909750054057186
Energy: 1.5193667781458764
Energy: 1.3637707308205558
Energy: 1.3610873739882414
Energy: 1.324359834814655
Energy: 1.4125977980820108
Energy: 1.5227288293849799
Energy: 1.355842445501023
Energy: 1.4762285947098042
Energy: 1.43198951116026
Energy: 1.324359834814655
Energy: 1.4125977980820108
Energy: 1.522728828956799
Energy: 1.3558424454998128
Energy: 1.5993874739517309
Energy: 1.3965080457008014
Energy: 1.3754010141073658
Energy: 1.339177437229104
Energy: 1.3606955103331562
Energy: 1.4216789380930148
Energy: 1.5993874739517309
Energy: 1.3965080457008014
Energy: 1.3754010141073658
Energy: 1.339177437229104
Energy: 1.3378839784071939
Energy: 1.3455959867070268
Energy: 1.3586239769821291
Energy: 1.6255724739791213
Energy: 1.3325996363790942
Energy: 1.3497001012775094
Energy: 1.3378839784071939
Energy: 1.3455959867070268
Energy: 1.3586239769833388
Energy: 1.6255724739791213
Energy: 1.3375287811586136
Energy: 1.5277019584083285
Energy: 1.3492476755829805
Energy: 1.3289496502883789
Energy: 1.3208380856543105
Energy: 1.5032668177051278
Energy: 1.3375287811561936
Energy: 1.5277019584204288
Energy: 1.3492476755829805
Energy: 1.3289496502883789
Energy: 1.5114243483697574
Energy: 1.338850993177125
Energy: 1.4458540037601388
Energy: 1.334791690621262
Energy: 1.3530216969594515
Energy: 1.412697087836854
Energy: 1.5114243483697574
Energy: 1.338850993175915
Energy: 1.4458540037589287
Energy: 1.334791690621262
Energy: 1.3509378210231127
Energy: 1.431492564714305
Energy: 1.3593841891326035
Energy: 1.3339631412951918
Energy: 1.5135493776069042
Energy: 1.3965352354998286
Energy: 1.3509378210231127
Energy: 1.4314925647155152
Energy: 1.3593841891265537
Energy: 1.3339631412951918
Energy: 1.404098115943493
Energy: 1.3794362335872123
Energy: 1.5875304049401313
Energy: 1.3644883714799427
Energy: 1.378242330444442
Energy: 1.4511161635149266
Energy: 1.4040981159410728
Energy: 1.3794362335860022
Energy: 1.5875304049389216
Energy: 1.364488371476313
Energy: 1.388591928069556
Energy: 1.3820023530655265
Energy: 1.3618795522333005
Energy: 1.3345764096480577
Energy: 1.3579160674408728
Energy: 1.530837817486194
Energy: 1.388591929265712
Energy: 1.3820023530691568
Energy: 1.3618795522345104
Energy: 1.334576409650478
Energy: 1.5644942323680888
Energy: 1.4042914179400425
Energy: 1.359373623360174
Energy: 1.3627221130292237
Energy: 1.4259244765054688
Energy: 1.34649293711631
Energy: 1.5644942323680888
Energy: 1.4042914179412522
Energy: 1.3593736233613845
Energy: 1.3627221130292237
Energy: 1.2998770976170102
Energy: 1.4269654278922201
Energy: 1.550123688697775
Energy: 1.3087946286300878
Energy: 1.5369498924586873
Energy: 1.4242441330687539
Energy: 1.2998770976170102
Energy: 1.4269654278922201
Energy: 1.550123688697775
Energy: 1.3087946286300878
Energy: 1.5617720144286156
Energy: 1.401493735827739
Energy: 1.4754469085249609
Energy: 1.364031459479399
Energy: 1.360009026206273
Energy: 1.4204744876078488
Energy: 1.561772014455236
Energy: 1.401493735827739
Energy: 1.4754469085249609
Energy: 1.364031459478189
Energy: 1.500564724883123
Energy: 1.4737429521042855
Energy: 1.3590635605675132
Energy: 1.543673521663705
Energy: 1.3612629533620444
Energy: 1.3500896978843502
Energy: 1.500564724883123
Energy: 1.4737429521042855
Energy: 1.3590635605663033
Energy: 1.543673521663705

minimum gb energy = 1.2998770976170102 eV
minimum distance =  2.2251283328732 Angstroms
sigma value = 33