Model name: model_name=MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391771733761
cohesive_energy=4.450350014532301
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083898807843395e-19, 4.2789331364237998e-19, 4.6747188303208195e-19, 5.014941038550719e-19, 5.311327694074379e-19, 5.57166537533304e-19, 5.80149761348034e-19, 6.004909958932979e-19, 6.18501063436092e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-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: 0.018089586423368373
Energy: 0.6716590878124733
Energy: 0.018618481936842117
Energy: 0.018403095744452053
Energy: 0.6718588774963754
Energy: 0.01862458289495291
Energy: 0.6716590878128039
Energy: 0.1600475484623284
Energy: 0.15998081547277018
Energy: 0.15972438851595258
Energy: 0.15975148598179814
Energy: 0.16135353388480975
Energy: 0.018618481936511614
Energy: 0.15998081547343118
Energy: 0.1614021219678794
Energy: 0.018578557809263395
Energy: 0.15968726148303927
Energy: 0.16078064045191173
Energy: 0.018403095744782556
Energy: 0.15972438851661358
Energy: 0.018578557809593898
Energy: 0.018557163645611895
Energy: 0.15989769011109742
Energy: 0.018514698209210433
Energy: 0.6718588774960449
Energy: 0.15975148598212863
Energy: 0.15968726148303927
Energy: 0.15989769011109742
Energy: 0.15972733234308797
Energy: 0.15965524461353858
Energy: 0.01862458289495291
Energy: 0.16135353388514026
Energy: 0.16078064045158122
Energy: 0.01851469820950422
Energy: 0.15965524461320807
Energy: 0.01850510306460136

minimum gb energy = 0.018089586423368373 eV
minimum distance =  2.48702121981223 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.0597998779576896
Energy: 1.369839536606844
Energy: 1.4122502079025792
Energy: 1.4438213543912908
Energy: 1.7359115073697644
Energy: 1.9082602537939932
Energy: 1.8564790719409192
Energy: 1.345067937276024
Energy: 1.3449037255531928
Energy: 1.395963891837193
Energy: 1.345006023391717
Energy: 1.3439224609736995
Energy: 1.8706825431281526
Energy: 1.3441514998256605
Energy: 1.3442088075170933
Energy: 1.3548863586347875
Energy: 1.3439599206703592
Energy: 1.305026336230511
Energy: 1.964203046369644
Energy: 1.296131619665461
Energy: 1.3421110170300607
Energy: 1.3266676706925224
Energy: 1.3492514136616731
Energy: 1.3263700799349623
Energy: 1.865196299663075
Energy: 1.4008896755934435
Energy: 1.400785654450428
Energy: 1.4031095991245504
Energy: 1.4012624359237544
Energy: 1.4005543803488503
Energy: 1.8185313777457357
Energy: 1.4007447565677518
Energy: 1.399756118163619
Energy: 1.382753612500257
Energy: 1.4010728203926268
Energy: 1.3815078472556346
Energy: 1.8205685373677714
Energy: 1.3806345954699064
Energy: 1.3804977356577877
Energy: 1.379977858798213
Energy: 1.3962392072296026
Energy: 1.3806485929162555
Energy: 1.7356898196950619
Energy: 1.4015403596014633
Energy: 1.4020518807867757
Energy: 1.3928389794422895
Energy: 1.399438112244749
Energy: 1.381393281781568
Energy: 1.486853417304694
Energy: 1.3969754453917533
Energy: 1.3816689230199435
Energy: 1.4067359377631523
Energy: 1.3967967124692244
Energy: 1.379311830348841
Energy: 1.4834898396606648
Energy: 1.4009555804756337
Energy: 1.3636382526211417
Energy: 1.3766596719675162
Energy: 1.4009457543483843
Energy: 1.3635637577384743
Energy: 1.5200767653180731
Energy: 1.3530997462888348
Energy: 1.3540806247972332
Energy: 1.519855172829719
Energy: 1.3536573205668105
Energy: 1.3520535754077119
Energy: 1.3442962319440477
Energy: 1.3587455311727141
Energy: 1.3592947968671325
Energy: 1.344328574014615
Energy: 1.3711397627445652
Energy: 1.3441183184481682
Energy: 1.344736920371283
Energy: 1.3875469951548542
Energy: 1.3874346104444535
Energy: 1.3446662829845564
Energy: 1.370632386612326
Energy: 1.34423719083864
Energy: 1.3943307649405956
Energy: 1.3758688692128371
Energy: 1.3562917347977017
Energy: 1.3938477043185755
Energy: 1.355154514020365
Energy: 1.3275585227688262
Energy: 1.3945419304204438
Energy: 1.4015471322629285
Energy: 1.327015967837246
Energy: 1.344102911940398
Energy: 1.4032164390097168
Energy: 1.3442468175540288
Energy: 1.3981148961164374
Energy: 1.3254444470294742
Energy: 1.3254705574291292
Energy: 1.3785625173777292
Energy: 1.371498513241931
Energy: 1.345401685988489
Energy: 1.7002303506886345
Energy: 1.3915504138447272
Energy: 1.3914584454841321
Energy: 1.3579697429470916
Energy: 1.379154013965816
Energy: 1.3281055514416962
Energy: 1.6471894870518458
Energy: 1.3999186510691537
Energy: 1.3992178996189177
Energy: 1.4002267739306427
Energy: 1.4469228937393956
Energy: 1.3993198223650893
Energy: 1.6507140629481647
Energy: 1.3995812170072848
Energy: 1.3989700624783905
Energy: 1.3996047879918418
Energy: 1.3994794662280705
Energy: 1.4121899284545445
Energy: 1.87106140194385
Energy: 1.400287124255862
Energy: 1.4132173260640968
Energy: 1.3996708707373988
Energy: 1.3995957525668596
Energy: 1.3984258354959775
Energy: 1.8852773439663695
Energy: 1.3958371319876912
Energy: 1.3755859460013227
Energy: 1.3549413000265802
Energy: 1.4323608688588805
Energy: 1.3958350864797457
Energy: 1.8878972038600585
Energy: 1.3737783025343908
Energy: 1.3722600322938572
Energy: 1.3838327214206867
Energy: 1.389134103772178
Energy: 1.3408592913320636
Energy: 1.9228761657626197
Energy: 1.3440884034402412
Energy: 1.3442475994286058
Energy: 1.3822382282505103
Energy: 1.344167114735927
Energy: 1.3439081648289648

minimum gb energy = 1.296131619665461 eV
minimum distance =  2.32703689854165 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.2634669633152456
Energy: 1.5733942018819775
Energy: 1.8281928749891334
Energy: 1.824866696252078
Energy: 2.164202266531175
Energy: 1.8234317658043442
Energy: 1.7062724161753264
Energy: 1.356437161732481
Energy: 1.3541688939895475
Energy: 1.41993634467729
Energy: 1.3559626446105726
Energy: 1.355062182552276
Energy: 1.842157090701428
Energy: 1.3742243149502578
Energy: 1.3544782662300863
Energy: 1.4800764055725824
Energy: 1.3746766072307621
Energy: 1.3547067605691896
Energy: 1.7616743597161766
Energy: 1.3743454665821455
Energy: 1.3297247183292413
Energy: 1.4398805647684845
Energy: 1.3731744148777667
Energy: 1.365942674144234
Energy: 1.7040317875615814
Energy: 1.355490835615002
Energy: 1.4003155192411008
Energy: 1.4202967242841775
Energy: 1.4005824723215579
Energy: 1.399896885826243
Energy: 1.7688305868968006
Energy: 1.4183524618639518
Energy: 1.4186606310828336
Energy: 1.3685303882790358
Energy: 1.4186587100860213
Energy: 1.3684693799023202
Energy: 1.767261280134149
Energy: 1.3689818760825443
Energy: 1.3689873630658551
Energy: 1.3683522665970933
Energy: 1.409589407941114
Energy: 1.3685655869357483
Energy: 1.704292774673628
Energy: 1.416455737452314
Energy: 1.4189081921582714
Energy: 1.4580679842665818
Energy: 1.4491955297435954
Energy: 1.4176392701882379
Energy: 1.472128001053723
Energy: 1.415024334907355
Energy: 1.408791440765258
Energy: 1.4336865926734532
Energy: 1.4147368634401745
Energy: 1.4095078787428703
Energy: 1.4578481485341295
Energy: 1.4194512666115515
Energy: 1.3993558292692798
Energy: 1.4001604249592763
Energy: 1.4197214810824772
Energy: 1.4005259599572597
Energy: 1.4899020414545305
Energy: 1.8237646781024466
Energy: 1.8228899613812373
Energy: 1.491180893445582
Energy: 1.8234740387285329
Energy: 1.8321566839239924
Energy: 1.3749099143545145
Energy: 1.349709697591775
Energy: 1.3556948555012462
Energy: 1.3746480152284726
Energy: 1.3958582938327542
Energy: 1.354286310528825
Energy: 1.3744980087117546
Energy: 1.400164442414959
Energy: 1.3547856334438817
Energy: 1.3748334106915145
Energy: 1.4084853394892376
Energy: 1.3544471819304125
Energy: 1.4760459635754042
Energy: 1.6522104786341147
Energy: 1.6501388873335379
Energy: 1.4764020438859828
Energy: 1.6494901404069924
Energy: 1.4405338034046313
Energy: 1.4580017964470826
Energy: 1.420317113474935
Energy: 1.2963954296848215
Energy: 1.3555795426188704
Energy: 1.420177106459291
Energy: 1.35522076328247
Energy: 1.473148610190117
Energy: 1.37084361266353
Energy: 1.3680615228102841
Energy: 1.4184622537261928
Energy: 1.4071625686304143
Energy: 1.4186412716246797
Energy: 1.7046156786379862
Energy: 1.3681559233594587
Energy: 1.368320016871431
Energy: 1.4570755890607487
Energy: 1.368141269052117
Energy: 1.3682985029251746
Energy: 1.5590513180588543
Energy: 1.4091456273506247
Energy: 1.4087603732232667
Energy: 1.4158145040102466
Energy: 1.4564356542006534
Energy: 1.4158976919958532
Energy: 1.5578809213231335
Energy: 1.417522901864265
Energy: 1.4095617279523265
Energy: 1.4150869783413595
Energy: 1.418506785370498
Energy: 1.4084432035244807
Energy: 1.7036511136398882
Energy: 1.4001297130530423
Energy: 1.4002171409170887
Energy: 1.420162840557167
Energy: 1.4004450784943057
Energy: 1.3993466880481749
Energy: 1.9588310943591563
Energy: 1.4014162281726232
Energy: 1.3847369585833578
Energy: 1.280384051223442
Energy: 1.4952534386636442
Energy: 1.367555722666647
Energy: 1.558479124474496
Energy: 1.373896638223125
Energy: 1.3737564450550663
Energy: 1.3969799740223963
Energy: 1.3739689806768678
Energy: 1.3552519900163573
Energy: 1.7069316137767212
Energy: 1.3552756029195578
Energy: 1.354778269369135
Energy: 1.3734466605326627
Energy: 1.3741648730744753
Energy: 1.3544674752022188
Energy: 1.9103173309462764
Energy: 1.3659897240104768
Energy: 1.3732946632469591
Energy: 1.6494387814468088
Energy: 1.4736575893913775
Energy: 1.6497682286560271
Energy: 1.7079425383199218
Energy: 1.355449599692945
Energy: 1.3555312642489739
Energy: 1.4203114193999427
Energy: 1.355449695607824
Energy: 1.354830761136904
Energy: 1.7680042923710124
Energy: 1.417121055372422
Energy: 1.417932969934477
Energy: 1.408819688928128
Energy: 1.4335717306663593
Energy: 1.3677637226272317
Energy: 1.763350001399464
Energy: 1.419713822729886
Energy: 1.369005687807846
Energy: 1.4120356007783128
Energy: 1.4313413992618647
Energy: 1.3692080491201895
Energy: 1.703791539948664
Energy: 1.4148621502783993
Energy: 1.4170583575118418
Energy: 1.409481152843084
Energy: 1.41494226967307
Energy: 1.4082106442985065
Energy: 1.472885294929073
Energy: 1.414943930658244
Energy: 1.4160839808698216
Energy: 1.4183384391593017
Energy: 1.4148746319015426
Energy: 1.4083655212460333
Energy: 1.4579830898321775
Energy: 1.418330859899691
Energy: 1.3996300173546858
Energy: 1.4010411150537252
Energy: 1.4202137648044917
Energy: 1.400090576917467
Energy: 1.473272068809182
Energy: 1.287312206707138
Energy: 1.2862185939087338
Energy: 1.3663189675307421
Energy: 1.2861720219808472
Energy: 1.2858496108414306
Energy: 1.3740762701452287
Energy: 1.3500763223571703
Energy: 1.3217501789542385
Energy: 1.3740365181700225
Energy: 1.350985350025573
Energy: 1.3736032989934002
Energy: 1.3738458689309059
Energy: 1.3993451968918977
Energy: 1.356038956558671
Energy: 1.3542360890029177
Energy: 1.4000749725770743
Energy: 1.3545808193367912
Energy: 1.3649352153443322
Energy: 1.651649754370165
Energy: 1.6510856520763795
Energy: 1.3652037400287038
Energy: 1.6492045632982115
Energy: 1.6271104131067242
Energy: 1.4580759326109032
Energy: 1.337545029174601
Energy: 1.329285713447052
Energy: 1.3552300366454784
Energy: 1.3795330507349375
Energy: 1.3554741613826486
Energy: 1.4701084180063315
Energy: 1.4086436838152372
Energy: 1.3730139135270862
Energy: 1.4323910080010085
Energy: 1.4082903704735577
Energy: 1.409091559414244
Energy: 1.4575441630035069
Energy: 1.439873043820309
Energy: 1.4646011344349303
Energy: 1.399540627572769
Energy: 1.4175557385774966
Energy: 1.4389820299985663
Energy: 1.5586039613062628
Energy: 1.408794183817236
Energy: 1.4098579625739023
Energy: 1.4152461660445348
Energy: 1.4097957241580352
Energy: 1.4089384368858504
Energy: 1.5582015679306302
Energy: 1.4185572148090262
Energy: 1.4084561802671318
Energy: 1.4660796671338687
Energy: 1.4192406082317894
Energy: 1.4163589621199102
Energy: 1.7045278978593448
Energy: 1.3978862508322845
Energy: 1.399829769985907
Energy: 1.4323133091724995
Energy: 1.3990178541845035
Energy: 1.4006349164754057
Energy: 1.9577765365779016
Energy: 1.3304012102769693
Energy: 1.33385856392005
Energy: 1.2803071877186647
Energy: 1.329878652211584
Energy: 1.286109379091421

minimum gb energy = 1.2803071877186647 eV
minimum distance =  2.34093590274601 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.1145456001721787
Energy: 1.7183526333549655
Energy: 2.2114839822060066
Energy: 1.7751092788219773
Energy: 1.407661528740572
Energy: 1.77477882391943
Energy: 1.6112328533273026
Energy: 1.4216103966625335
Energy: 1.4154561138050876
Energy: 1.3947001633485812
Energy: 1.4074698051337136
Energy: 1.4164516773098519
Energy: 1.9057449729799572
Energy: 1.4044361244756878
Energy: 1.403437199978717
Energy: 1.4343397496720094
Energy: 1.404301519763612
Energy: 1.348864695689045
Energy: 1.8215948496160765
Energy: 1.4031710756379852
Energy: 1.3536151933879046
Energy: 1.3802213946609907
Energy: 1.5396615296261613
Energy: 1.3781254939207
Energy: 1.7736790038665047
Energy: 1.4829875731249016
Energy: 1.4841565740581535
Energy: 1.3412408981909743
Energy: 1.4835517435203003
Energy: 1.4319515181180085
Energy: 1.6120923033013517
Energy: 1.4333214878506495
Energy: 1.4320252252149652
Energy: 1.430597664493388
Energy: 1.468097521317778
Energy: 1.4307236647793178
Energy: 1.6123233339362775
Energy: 1.402417943090839
Energy: 1.431938388046979
Energy: 1.4326912607124507
Energy: 1.433005822589268
Energy: 1.4312855422694724
Energy: 1.6227465823738296
Energy: 1.2984906754789467
Energy: 1.2943049966405062
Energy: 1.5187248048801956
Energy: 1.2991529754860456
Energy: 1.2979925029948676
Energy: 1.403701963587253
Energy: 1.2966134784585315
Energy: 1.2967367980220128
Energy: 1.4037711300665876
Energy: 1.2944857749238998
Energy: 1.4009377472171978
Energy: 1.4012679108662054
Energy: 1.3619368098684714
Energy: 1.4158111682409107
Energy: 1.401269454612577
Energy: 1.3557967817671746
Energy: 1.4160128068258435
Energy: 1.4000885618787557
Energy: 1.518278497199891
Energy: 1.5179855557476585
Energy: 1.405833422602865
Energy: 1.4024668392711384
Energy: 1.5014541274475997
Energy: 1.464599216962305
Energy: 1.3612509962928072
Energy: 1.415754298680823
Energy: 1.415691984747596
Energy: 1.338535953968874
Energy: 1.4158963886306428
Energy: 1.44262109079755
Energy: 1.3354204116118
Energy: 1.332232588642598
Energy: 1.4276365528264743
Energy: 1.419351549428961
Energy: 1.4286752924046104
Energy: 1.4439623819567773
Energy: 1.6783834534436695
Energy: 1.6778801129752443
Energy: 1.433737564833557
Energy: 1.6785435724327777
Energy: 1.4864685659231809
Energy: 1.728025104210461
Energy: 1.3880793839023695
Energy: 1.3760082380157874
Energy: 1.3802707961888254
Energy: 1.400910283195883
Energy: 1.3751102083364137
Energy: 1.7399475245473153
Energy: 1.434435603693474
Energy: 1.433657487026786
Energy: 1.5688636559014848
Energy: 1.4335059462890534
Energy: 1.4517659901968685
Energy: 1.752123146368988
Energy: 1.43437604017784
Energy: 1.4342602711780579
Energy: 1.481848125612559
Energy: 1.4346805356878578
Energy: 1.451208816359927
Energy: 1.9403688793408749
Energy: 1.4157202789380983
Energy: 1.3929508493750382
Energy: 1.290380723755276
Energy: 1.4206823267384596
Energy: 1.3995754637866487

minimum gb energy = 1.290380723755276 eV
minimum distance =  2.32784353236907 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.7523746657280614
Energy: 1.6988733227287305
Energy: 1.543518318630382
Energy: 1.5448554405389443
Energy: 1.698763644631727
Energy: 1.544508677971162
Energy: 1.5459856909652034
Energy: 1.2892495580827281
Energy: 1.2889179738661343
Energy: 1.3026862082321469
Energy: 1.289048197668236
Energy: 1.3494703383597668
Energy: 1.9005679633344585
Energy: 1.2888061145944543
Energy: 1.2888235914404436
Energy: 1.2864118785817125
Energy: 1.2886546505652225
Energy: 1.2886435593137133
Energy: 1.5024126263687083
Energy: 1.2892123405134117
Energy: 1.2897369800421417
Energy: 1.4182123778202256
Energy: 1.28916640790701
Energy: 1.2402252060675023
Energy: 1.5459157637390997
Energy: 1.2885239001212239
Energy: 1.2887355874453803
Energy: 1.2646775349591386
Energy: 1.2883077942779988
Energy: 1.3391943051770343
Energy: 1.543705748558364
Energy: 1.2525932463939595
Energy: 1.3381628923400861
Energy: 1.2868475922866212
Energy: 1.2524334187552024
Energy: 1.2848779151139593
Energy: 1.547949715831078
Energy: 1.340270677320874
Energy: 1.2912736444542097
Energy: 1.286237969387479
Energy: 1.2657718293464892
Energy: 1.2871593749235624
Energy: 1.4920788560918499
Energy: 1.138450687236115
Energy: 1.1393439067151043
Energy: 1.492540254835983
Energy: 1.2525415660058217
Energy: 1.2013982844331816
Energy: 1.2891728258735162
Energy: 1.1389487670291114
Energy: 1.1374661045082313
Energy: 1.2888190195925824
Energy: 1.1383234162840583
Energy: 1.2524649297552135
Energy: 1.2890826342816182
Energy: 1.338913175865453
Energy: 1.2888052785094555
Energy: 1.288904719653459
Energy: 1.403499582751936
Energy: 1.2890890257537104
Energy: 1.3501542081859246
Energy: 1.4190500692295662
Energy: 1.4192049832768265
Energy: 1.350389426862445
Energy: 1.4194912332726628
Energy: 1.2892678845885048
Energy: 1.5418495968515609
Energy: 1.40194349891313
Energy: 1.3380733470699386
Energy: 1.2887920545844744
Energy: 1.2856205172067179
Energy: 1.2888496298716712
Energy: 1.2519169341126546
Energy: 1.2863633700023032
Energy: 1.4262817844267137
Energy: 1.2521418476600361
Energy: 1.2860293036172896
Energy: 1.4260625239619351
Energy: 1.5447290055393894
Energy: 1.4249530350606625
Energy: 1.4265975681939036
Energy: 1.2892688795578957
Energy: 1.4262442395576251
Energy: 1.4263936001971045
Energy: 1.8112906126309003
Energy: 1.289451803407302
Energy: 1.3498708653133362
Energy: 1.1385749491049464
Energy: 1.2888976004063895
Energy: 1.2521926262885057
Energy: 1.7556759642622468
Energy: 1.3495057574655505
Energy: 1.253173069657704
Energy: 1.5461039248911352
Energy: 1.3494978242167124
Energy: 1.3707752915660352
Energy: 1.546508500435405
Energy: 1.2884691015447727
Energy: 1.2885587469640118
Energy: 1.2643447940329398
Energy: 1.2888010408640986
Energy: 1.2908779484665378
Energy: 1.501070969428457
Energy: 1.289123619944155
Energy: 1.2892975981581318
Energy: 1.418392444489761
Energy: 1.2888910447112425
Energy: 1.289548863055435
Energy: 1.5011239754389172
Energy: 1.2892895272086389
Energy: 1.2887889326980064
Energy: 1.4184129712366011
Energy: 1.2891372036136992
Energy: 1.338394037938056
Energy: 1.545483675376551
Energy: 1.2523811926643496
Energy: 1.2859455257802648
Energy: 1.339893940272607
Energy: 1.2523179258099397
Energy: 1.3376306942258642
Energy: 1.5082027923593175
Energy: 1.2886618404837384
Energy: 1.3388910823331597
Energy: 1.4261109546321498
Energy: 1.2884751246308548
Energy: 1.425922343232588
Energy: 1.545582888657494
Energy: 1.4015263271162677
Energy: 1.40268071511459
Energy: 1.2863182137248612
Energy: 1.4018480050601296
Energy: 1.3516286815252563
Energy: 1.4539951924943366
Energy: 1.5446828754683226
Energy: 1.5444295968469863
Energy: 1.286310993871166
Energy: 1.5449625055607985
Energy: 1.5440166914799975
Energy: 1.2892911811893808
Energy: 1.303269808353642
Energy: 1.3496058044126809
Energy: 1.2891541173118155
Energy: 1.2654843774688613
Energy: 1.3493451493607735
Energy: 1.288694389276199
Energy: 1.3380899262236365
Energy: 1.2884169138596038
Energy: 1.2886337724038261
Energy: 1.2864916034056015
Energy: 1.2890166205876408
Energy: 1.4535061880231819
Energy: 1.4196937456791108
Energy: 1.419562125711977
Energy: 1.454319985947258
Energy: 1.4191377489472692
Energy: 1.2900217635533642
Energy: 1.543937784007842
Energy: 1.4013090623584532
Energy: 1.3395320348811368
Energy: 1.2882936499800868
Energy: 1.339795461213083
Energy: 1.2893564881777135
Energy: 1.2521577357019935
Energy: 1.2857819881438874
Energy: 1.286190387450195
Energy: 1.2522587138659416
Energy: 1.2863343840684003
Energy: 1.3370113400724788
Energy: 1.4542069714511148
Energy: 1.2857669451199425
Energy: 1.2871920313080394
Energy: 1.2899401872236855
Energy: 1.286068490838061
Energy: 1.2859186194452652
Energy: 1.756138986963658
Energy: 1.3492826529850763
Energy: 1.2007876597446037
Energy: 1.1380494324988615
Energy: 1.491377437142604
Energy: 1.137978036811291

minimum gb energy = 1.1374661045082313 eV
minimum distance =  2.37213373760691 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.4863354807278693
Energy: 1.2855590930140601
Energy: 1.4741630314445726
Energy: 1.3996288652373663
Energy: 1.2875824157180262
Energy: 2.0204242472583056
Energy: 1.4969422787005098
Energy: 1.2957655348101529
Energy: 1.2958982191472987
Energy: 1.2480861219418788
Energy: 1.2957562594150536
Energy: 1.2955183817964202
Energy: 1.347583946659573
Energy: 1.2867297823709463
Energy: 1.2848803306405971
Energy: 1.277343295294095
Energy: 1.286105963570662
Energy: 1.284643940103786
Energy: 1.347506147505877
Energy: 1.2285102528959033
Energy: 1.2298042455052982
Energy: 1.277804467720997
Energy: 1.5984906312987601
Energy: 1.228254895789189
Energy: 1.4920699269798328
Energy: 1.3636658765674996
Energy: 1.2491862868461616
Energy: 1.3821776267770984
Energy: 1.3631814416333796
Energy: 1.136714184661114
Energy: 1.284997217100416
Energy: 1.3647694262821255
Energy: 1.3652121839133449
Energy: 1.2849398427096252
Energy: 1.4030970446886104
Energy: 1.1412321576876312
Energy: 1.2859007141143288
Energy: 1.193734715017301
Energy: 1.1937065679291379
Energy: 1.2862111548010868
Energy: 1.2480132013041234
Energy: 1.2866854437795554
Energy: 1.360966018696582
Energy: 1.2239089484339702
Energy: 1.2244748219562172
Energy: 1.3610944285208968
Energy: 1.2228910309843846
Energy: 1.2829762518501324
Energy: 1.3484864147635973
Energy: 1.2243959770712247
Energy: 1.26172067228299
Energy: 1.3565227343284134
Energy: 1.2719293480046845
Energy: 1.2614630455539573
Energy: 1.3492592099730092
Energy: 1.2560614198670008
Energy: 1.201306623092296
Energy: 1.299933966935019
Energy: 1.3010920057054174
Energy: 1.301054952126936
Energy: 1.3472468994059341
Energy: 1.3092141629180003
Energy: 1.311137982811061
Energy: 1.300684244081075
Energy: 1.3082819431656467
Energy: 1.3108388789313177
Energy: 1.3471163341288561
Energy: 1.2851075366011664
Energy: 1.285196371320179
Energy: 1.2481224104910178
Energy: 1.2849264882152271
Energy: 1.2854344317048

minimum gb energy = 1.136714184661114 eV
minimum distance =  2.3189538730691 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.2792195520131426
Energy: 1.6026483036598567
Energy: 1.3384846727588706
Energy: 1.5978816091462038
Energy: 1.2640136941458757
Energy: 1.484724512410484
Energy: 1.2046898599329565
Energy: 1.126145212453178
Energy: 1.1266367845716274
Energy: 1.093119904290483
Energy: 1.1262555057902386
Energy: 1.1266194538554788
Energy: 1.1363033810916476
Energy: 1.106967899177898
Energy: 1.1074140371279322
Energy: 1.0727767022304808
Energy: 1.106542341005749
Energy: 1.1075379614947296
Energy: 1.4851859071814302
Energy: 1.0698559642614316
Energy: 1.186540133045262
Energy: 1.0686798170105059
Energy: 1.2954714069521749
Energy: 1.3082768911819846
Energy: 1.3141117467459171
Energy: 1.161188037265896
Energy: 1.3359960565351183
Energy: 1.1574943742981278
Energy: 1.2019846445638298
Energy: 1.2467001659990855
Energy: 1.17390338685611
Energy: 1.4292403984217532
Energy: 1.2497571234636198
Energy: 1.1742764042706937
Energy: 1.4225832773091314
Energy: 1.1227527734639717
Energy: 1.1715080594029557
Energy: 1.0950400353881047
Energy: 1.2136578863408691
Energy: 1.171995237624226
Energy: 1.1165840901433755
Energy: 1.172421105857321
Energy: 1.1627080303299193
Energy: 1.2951541889205693
Energy: 1.1644195890728353
Energy: 1.16341800375309
Energy: 1.2905893539781514
Energy: 1.15967566687366
Energy: 1.1077349310964557
Energy: 1.141891761427982
Energy: 1.2307622150650066
Energy: 1.0990238684343594
Energy: 1.1830401127799275
Energy: 1.1383074999099185
Energy: 1.7483830884120095
Energy: 1.19759419060372
Energy: 1.1649489284762244
Energy: 0.9752903054662188
Energy: 1.2713958858057024
Energy: 1.1549753377452026
Energy: 1.0532805065873938
Energy: 1.1589953690685346
Energy: 1.159088246645631
Energy: 0.9754331078516666
Energy: 1.1587618731310922
Energy: 1.1588583766673362
Energy: 1.1088364074896506
Energy: 1.176203601431265
Energy: 1.1765750494503435
Energy: 1.1158921732532137
Energy: 1.1756176169886938
Energy: 1.175062733067411
Energy: 2.007852099496057
Energy: 1.1399749182163184
Energy: 1.3302785662117562
Energy: 1.3157075573287558
Energy: 1.1421415357724445
Energy: 1.3253670487412845
Energy: 1.2282144620760862
Energy: 1.1714894534415707
Energy: 1.1333516615362966
Energy: 1.1162679440999077
Energy: 1.1718705433795875
Energy: 1.1081983616430775
Energy: 1.1071630685577531
Energy: 1.1751737929066828
Energy: 1.181412731530761
Energy: 1.1071770002422379
Energy: 1.1744460722653092
Energy: 1.3671865111447912
Energy: 1.1269893673393303
Energy: 1.1401047742504062
Energy: 1.1507387413656904
Energy: 1.1281097696200622
Energy: 1.1257728191950167
Energy: 1.1264483260545775
Energy: 1.1258909359533469
Energy: 1.2745606896936084
Energy: 1.1754995936603732
Energy: 1.1260249109445017
Energy: 1.1429141355474706
Energy: 1.126735922939562
Energy: 1.1364227417415056
Energy: 1.1261575813875766
Energy: 1.1747802435912333
Energy: 1.1380203559163589
Energy: 1.162125708622342
Energy: 1.1743170553346953
Energy: 1.1357202268945745
Energy: 1.1269254001692908
Energy: 1.1102169721206119
Energy: 1.1076720302499936
Energy: 1.1245890899940374
Energy: 1.1619394148961502
Energy: 1.1361276331151768
Energy: 1.1063665196839763
Energy: 1.1070978329109753
Energy: 1.1060596124292454
Energy: 1.1058401835837268
Energy: 1.1357884963724068
Energy: 1.1361683565056435
Energy: 1.1080545914900388
Energy: 1.107869448445063
Energy: 1.1082111474246819
Energy: 1.1079099620089685
Energy: 1.1281047714094072
Energy: 1.1987378869349206
Energy: 1.1252816645476513
Energy: 1.1842487548345877
Energy: 1.2014571193900287
Energy: 1.1378595360395258
Energy: 1.0804785509425419
Energy: 1.1918748523945895
Energy: 1.126151144900852
Energy: 1.126402607708458
Energy: 1.2084972917671422
Energy: 1.125915515936433
Energy: 1.2564645184255265
Energy: 1.1361361118980886
Energy: 1.1069177565876656
Energy: 1.1071767490196727
Energy: 1.1241443811533791
Energy: 1.1070260724317655
Energy: 1.1078470389514048
Energy: 1.4753697185564136
Energy: 1.106409622229293
Energy: 1.3502887539713284
Energy: 1.3556087429103698
Energy: 1.111978982735568
Energy: 1.3515572121549493
Energy: 1.4070653643828415
Energy: 1.096288989325397
Energy: 1.0863775444591948
Energy: 1.1339546832408474
Energy: 1.0897081513063955
Energy: 1.174162721474984
Energy: 1.2976941404344076
Energy: 1.5193682199058696
Energy: 1.5176223303173795
Energy: 1.298342015841489
Energy: 1.5185138079431832
Energy: 1.2823254740545083
Energy: 1.177136093872474
Energy: 1.1995884468674314
Energy: 1.1614747881330656
Energy: 1.1754871448724185
Energy: 1.096617289181613
Energy: 1.1747911958667865
Energy: 1.1596835246182586
Energy: 1.206891864430211
Energy: 1.1971400677269786
Energy: 1.1595826441342736
Energy: 1.141904963176793
Energy: 1.1602828682852573
Energy: 1.2712979583720554
Energy: 1.2951904346386554
Energy: 1.2309119375335305
Energy: 1.2712605870111733
Energy: 1.2907335760480212
Energy: 1.1647602691425685
Energy: 1.052548984573099
Energy: 1.1654300011108918
Energy: 1.1647148353908638
Energy: 1.081726553519518
Energy: 1.1971094469755357
Energy: 1.2589435857130549
Energy: 1.748430292951258
Energy: 1.1592253990795973
Energy: 1.1582022733567812
Energy: 1.0259601381654988
Energy: 1.1584757555805012
Energy: 1.1547294818377118
Energy: 1.1265047640841275
Energy: 1.1712175902825914
Energy: 1.1713752627208474
Energy: 1.116054073669132
Energy: 1.1710765688887792
Energy: 1.171035927269499
Energy: 1.472393994955614
Energy: 1.1755615262112453
Energy: 1.1756190099731072
Energy: 1.103337332028941
Energy: 1.1757605947721164
Energy: 1.1284973854807523
Energy: 1.1236155377685433
Energy: 1.1758421370482444
Energy: 1.1756815774321825
Energy: 1.1044001875431442
Energy: 1.1758779868546856
Energy: 1.3381690050569777
Energy: 1.295255020233667
Energy: 1.1480057422697791
Energy: 1.093665085138978
Energy: 1.295420121222915
Energy: 1.149233475731865
Energy: 1.1887932116465392
Energy: 1.1298268961577316
Energy: 1.0935700997656685
Energy: 1.1049580172328206
Energy: 1.1305178595822736
Energy: 1.1217102318231795
Energy: 1.1074094118156461
Energy: 1.1251063094827753
Energy: 1.1242214814991542
Energy: 1.078890741823379
Energy: 1.125348454482326
Energy: 1.113351266959341
Energy: 1.1259862127310494
Energy: 1.5305922270236176
Energy: 1.4891688303744277
Energy: 1.4872074759457512
Energy: 1.5307908191890274
Energy: 1.3867092233044767
Energy: 1.1338757179918086
Energy: 1.1349735257890594
Energy: 1.1243943023565075
Energy: 1.0791169638534963
Energy: 1.1250291025666646
Energy: 1.1048850306222557
Energy: 1.1570160760056056
Energy: 1.1349528468647732
Energy: 1.1086375233076426
Energy: 1.0797132372324016
Energy: 1.1157551501662335
Energy: 1.1082253135256463
Energy: 1.1182291983986004
Energy: 1.1361062742607317
Energy: 1.1070011694484663
Energy: 1.1068067310910235
Energy: 1.1079096095157874
Energy: 1.106564635954063
Energy: 1.1349858887835556
Energy: 1.1917341636146295
Energy: 1.1259869374063822
Energy: 1.1263812339770758
Energy: 1.2068021718376096
Energy: 1.1258795928074143
Energy: 1.2567184069472024

minimum gb energy = 0.9752903054662188 eV
minimum distance =  2.25878760797029 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.8239413634065856
Energy: 1.1424196950918235
Energy: 0.5771771924141529
Energy: 0.5295012727006413
Energy: 0.9571252878979746
Energy: 0.8261357985346647
Energy: 1.165449850623626
Energy: 1.0166112030678414
Energy: 0.9914386325000977
Energy: 0.9944351182459679
Energy: 0.9950136643184997
Energy: 1.1402387782450962
Energy: 1.1726124840869627
Energy: 1.1169193139638136
Energy: 1.109510812726748
Energy: 1.145519793752212
Energy: 1.129347324524732
Energy: 1.1355146609585105
Energy: 1.167466419971599
Energy: 1.142339713157831
Energy: 1.163958065392264
Energy: 1.075810368821405
Energy: 1.1181951189817771
Energy: 1.131100191009347
Energy: 1.1713707197197767
Energy: 0.6752467348356465
Energy: 0.6991406528808326
Energy: 1.1720766829112543
Energy: 0.5264365131683117
Energy: 1.119237425290148
Energy: 1.1950085138250024
Energy: 0.674548437117513
Energy: 0.6748664616115715
Energy: 1.1968353601447999
Energy: 0.5261945709649105
Energy: 0.5743922397861947
Energy: 1.155745220301227
Energy: 1.104889005387551
Energy: 1.1483829137136157
Energy: 1.1841908588712193
Energy: 1.1177535422109166
Energy: 1.1813519543647804
Energy: 1.133675229359949
Energy: 1.147824108713054
Energy: 1.1453651245244345
Energy: 1.1342429761307764
Energy: 1.143530681741797
Energy: 1.138274247217043
Energy: 1.1344723967686368
Energy: 1.1387861240960584
Energy: 1.162594008518602
Energy: 1.1645831800398279
Energy: 1.149734115506383
Energy: 1.1724444672002843
Energy: 0.5260371834930827
Energy: 1.1963974242723943
Energy: 0.5762095956321881
Energy: 0.526136797083455
Energy: 1.2080604753449073
Energy: 0.5267313783276892
Energy: 0.5261251434570828
Energy: 1.1549824329859644
Energy: 1.1523550668342646
Energy: 0.5262744685317432
Energy: 1.1349657238078907
Energy: 0.5750970014199119
Energy: 1.2077999672572803
Energy: 1.1533847548759182
Energy: 1.1512431765732958
Energy: 1.1628789670531423
Energy: 1.1326653102075597
Energy: 1.1389703320149036
Energy: 1.1833145654356108
Energy: 1.1471117491477387
Energy: 1.1453607843855662
Energy: 1.2069350954333384
Energy: 2.0163378360160196
Energy: 1.1912200653221916
Energy: 1.2108044240158666
Energy: 1.1177620081702617
Energy: 1.1178123984824457
Energy: 1.2282231385899398
Energy: 1.1190824635346814
Energy: 1.1182922193211635
Energy: 1.2737490992513314
Energy: 0.5259609021833795
Energy: 0.5261049075310033
Energy: 1.1990118668927299
Energy: 0.6747336063351377
Energy: 0.6755682825329956
Energy: 1.1210584193280477
Energy: 1.146400412038947
Energy: 1.163427403964856
Energy: 1.1223672543062304
Energy: 0.6746139031949584
Energy: 1.1617571842824816
Energy: 1.1020566358193848
Energy: 1.08934146700817
Energy: 1.1527396544845743
Energy: 1.1448406477596365
Energy: 1.113097358127655
Energy: 1.1074382197925874
Energy: 1.1704004338589045
Energy: 1.1921795995238533
Energy: 0.9563726182672401
Energy: 1.0044669443930743
Energy: 1.1083127129061756
Energy: 1.1137697519067404
Energy: 0.8248537986580851
Energy: 1.0165235720709744
Energy: 0.9569794288366292
Energy: 0.5262721227259997
Energy: 1.0305274936676418
Energy: 0.9563203121885973

minimum gb energy = 0.5259609021833795 eV
minimum distance =  2.30066841941134 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.8410259365993873
Energy: 1.3156971298815352
Energy: 1.2630218231297046
Energy: 1.6368344106630863
Energy: 1.7635316609236924
Energy: 1.2627094928425204
Energy: 0.9273478466255402
Energy: 0.9239877941996647
Energy: 0.9784312165832414
Energy: 0.9848599044022657
Energy: 0.9238939044881961
Energy: 1.0217001726147377
Energy: 0.9247759155580549
Energy: 0.9254534486180553
Energy: 0.9544109983575796
Energy: 0.9262549196960875
Energy: 0.9260200282358768
Energy: 0.9545723060621866
Energy: 0.9247489219753883
Energy: 1.0056194124293465
Energy: 1.0582521777837666
Energy: 0.9258971668630557
Energy: 0.9274214606102655
Energy: 0.9528847066087378
Energy: 0.9260271107639384
Energy: 1.0723310272176751
Energy: 1.0239082976445664
Energy: 0.9260537095888063
Energy: 1.148410789696332
Energy: 0.9804937468404876
Energy: 1.2431296423992817
Energy: 1.325039646112757
Energy: 1.3262395647330012
Energy: 1.2421328540587626
Energy: 1.3244890839548995
Energy: 1.012728220656279
Energy: 1.0026181380077395
Energy: 0.9682500142885364
Energy: 1.0394322883734828
Energy: 0.9248155046763328
Energy: 1.011150446209444
Energy: 1.0087503088442573
Energy: 0.9557410192620677
Energy: 1.0176798853530515
Energy: 1.0187186691062737
Energy: 0.95640352401983
Energy: 1.017200780885831
Energy: 1.192718583247939
Energy: 1.2407385903928718
Energy: 1.0100597787260925
Energy: 0.9545578527427753
Energy: 0.9563007619001936
Energy: 1.0099704594935712
Energy: 0.9466442037943447
Energy: 1.5862285409466697
Energy: 1.0139979645614376
Energy: 1.014752927853065
Energy: 1.48883460296448
Energy: 1.014460808912847
Energy: 1.145761579476775
Energy: 1.310255731952224
Energy: 1.0098853767456617
Energy: 1.0368156263194843
Energy: 1.1469074626730347
Energy: 1.2364549320643852
Energy: 1.0365950071460304
Energy: 1.2414561869430647
Energy: 0.8896847898910625
Energy: 1.0055225674254744
Energy: 1.2410239209199259
Energy: 0.8934290519735056
Energy: 0.9846858989496379
Energy: 1.1534739794328532
Energy: 0.8912547861524799
Energy: 1.0408957025314272
Energy: 1.1538586033057818
Energy: 0.8935679497070349
Energy: 1.1536323198974148
Energy: 1.1500596574489774
Energy: 0.9840303206106088
Energy: 1.1049098891091846
Energy: 1.148195936497836
Energy: 1.0823021236226749
Energy: 1.0903929130418077
Energy: 1.148014667220539
Energy: 1.481765522579804
Energy: 1.484672501825821
Energy: 1.1480307639986773
Energy: 1.4714751361876286
Energy: 1.147757910291136
Energy: 1.580938711527869
Energy: 1.0605557144802882
Energy: 1.0041706386928329
Energy: 1.4039353390354976
Energy: 1.14852246147663
Energy: 1.1230133482387066
Energy: 1.3659986187255249
Energy: 1.4871080162664214
Energy: 1.3295811901137033
Energy: 1.3344836684100216
Energy: 1.6030639963508677
Energy: 1.1631274366560997
Energy: 1.6328670549730175
Energy: 1.146959908943858
Energy: 1.1441278315787173
Energy: 1.130062545906105
Energy: 1.1469640686130487
Energy: 1.0511129688339795
Energy: 1.341032196430384
Energy: 1.0628416796297406
Energy: 1.062523647063809
Energy: 1.0112852535961268
Energy: 1.1490651356223784
Energy: 1.0345831609113967
Energy: 1.1611497454619655
Energy: 1.3569774952727616
Energy: 1.177818424874077
Energy: 1.1594107621208054
Energy: 1.3388593611148158
Energy: 1.263389606359617
Energy: 1.580368367887518
Energy: 1.1359473655261587
Energy: 1.003586671931514
Energy: 1.1680695237612877
Energy: 1.1644981865320907
Energy: 1.0363375658834963
Energy: 1.0137667689435217
Energy: 1.335964142836011
Energy: 1.3279814547557807
Energy: 1.01370029194724
Energy: 1.3380889447029267
Energy: 1.2036804718279492
Energy: 1.0130437234987482
Energy: 0.9503961693013105
Energy: 1.0240809788963279
Energy: 1.0129286190162707
Energy: 0.9943009469729058
Energy: 1.0261044021293972
Energy: 1.0156816796005326
Energy: 0.9557830640994746
Energy: 1.0115483053643834
Energy: 1.0180720389781697
Energy: 0.927902728034834
Energy: 1.0116649641002022
Energy: 0.9248304707939263
Energy: 0.9247958405879009
Energy: 0.9253029623051796
Energy: 0.9262923031380725
Energy: 0.9260544125792969
Energy: 1.0445887308396375
Energy: 1.5298360440171186
Energy: 0.9526835514890313
Energy: 0.9794681413683782
Energy: 1.1665852559467507
Energy: 0.927400296420021
Energy: 0.9487635220720266

minimum gb energy = 0.8896847898910625 eV
minimum distance =  2.32700929678724 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.7875615749719131
Energy: 1.1141699282607873
Energy: 1.0671838462203336
Energy: 1.4237167335756526
Energy: 1.114455884787058
Energy: 1.366443595713885
Energy: 1.022693078475558
Energy: 1.022436183083113
Energy: 1.0890366369850701
Energy: 1.0476396520163278
Energy: 1.0222837244795249
Energy: 1.0560590283679085
Energy: 1.0251515048475928
Energy: 1.0256973834140066
Energy: 1.0260356905911783
Energy: 1.0249901048254557
Energy: 1.0245683304104953
Energy: 1.0825163924375658
Energy: 1.0243429003353048
Energy: 1.1039580647430225
Energy: 1.1031976891196922
Energy: 1.024041388815131
Energy: 1.023033710629851
Energy: 1.0662045888353169
Energy: 1.0231285477068865
Energy: 1.1530322544932734
Energy: 1.1092313747565683
Energy: 1.0229701887767526
Energy: 1.1164051020511407
Energy: 1.0836921440301908
Energy: 1.4441318320989585
Energy: 1.2051378862124105
Energy: 1.1662815656387715
Energy: 1.444847149416609
Energy: 1.2051452450543234
Energy: 1.1666457194931739
Energy: 1.1473897331080567
Energy: 1.0252641403777907
Energy: 1.0235260653360967
Energy: 1.0227783703930653
Energy: 1.0675458107398255
Energy: 1.12641904235912
Energy: 1.0729736954188953
Energy: 1.1900779026872583
Energy: 1.1902401627756078
Energy: 1.0735008615911523
Energy: 1.1900199448323947
Energy: 1.1047742879997928
Energy: 1.4409566267618503
Energy: 1.1331539405654198
Energy: 1.0766417752629382
Energy: 1.0593400977663734
Energy: 1.1174759852098766
Energy: 1.0560973176602122
Energy: 1.3925716857056976
Energy: 1.1665185892550345
Energy: 1.1668640237950358
Energy: 1.2986379387186833
Energy: 1.1666395793267215
Energy: 1.0251218133710833
Energy: 1.4586898557230554
Energy: 1.0244292075040025
Energy: 1.057186367096434
Energy: 1.022535555670829
Energy: 1.0486440837503275
Energy: 1.1161958811273855
Energy: 1.6257311975842033
Energy: 1.006730216201241
Energy: 1.1222774927579229
Energy: 1.442774575546661
Energy: 0.9691188599324695
Energy: 1.0627908362120209
Energy: 1.166844006631495
Energy: 0.9694822130913684
Energy: 1.3413142149169115
Energy: 1.1668758571749411
Energy: 0.9695328352124551
Energy: 1.3414775075791026
Energy: 1.1175776188162327
Energy: 1.102189047652454
Energy: 1.0550884634833095
Energy: 1.1178102646951211
Energy: 1.0830723740289134
Energy: 1.0898606401271858
Energy: 1.1763773948544147
Energy: 1.3318599489644332
Energy: 1.2956981193549468
Energy: 1.1768600934988005
Energy: 1.3047773319424796
Energy: 1.1764739425773452
Energy: 1.0224240102918345
Energy: 1.0239644756240147
Energy: 1.1260163901847704
Energy: 1.0864240546017054
Energy: 1.0226490983623635
Energy: 1.023645477162501
Energy: 1.711306395605947
Energy: 1.5518325597856304
Energy: 0.9700833559876121
Energy: 1.4079441789969354
Energy: 1.5143085826010438
Energy: 1.3747872470711369
Energy: 1.0718041314285969
Energy: 1.0231171410175124
Energy: 1.089913190921432
Energy: 1.2612155470274269
Energy: 1.022958238633701
Energy: 1.0481934684965337
Energy: 1.0234715892537387
Energy: 1.0254350489971993
Energy: 1.0260268059398732
Energy: 1.0232954911561563
Energy: 1.0241652629731868
Energy: 1.094103353093793
Energy: 1.0252026151609999
Energy: 1.0941431671079838
Energy: 1.0218891184818806
Energy: 1.025428132094768
Energy: 1.0237652643664918
Energy: 1.0253735971303497
Energy: 1.0223579502200368
Energy: 1.058598868524728
Energy: 1.0580331859456789
Energy: 1.0223162374576094
Energy: 1.1339818664017234
Energy: 1.126344079136467
Energy: 1.7056147980588416
Energy: 1.2051406755809653
Energy: 1.2047654204853215
Energy: 1.7047291844214485
Energy: 1.6726344353449516
Energy: 1.2046221699566324
Energy: 1.43943152939856
Energy: 1.0750124453049832
Energy: 1.0582141390385846
Energy: 1.0222663292927083
Energy: 1.157632921518452
Energy: 1.1263044284543609
Energy: 1.072698040321152
Energy: 1.2022566053374037
Energy: 1.1956350691876938
Energy: 1.0732204665991112
Energy: 1.1767443845180494
Energy: 1.1828954235227351
Energy: 1.4415064840643683
Energy: 1.0246297462965568
Energy: 1.0566154179247076
Energy: 1.0228608143821938
Energy: 1.1187230821796295
Energy: 1.0556363764527512
Energy: 1.4584741656218363
Energy: 1.0241869389343892
Energy: 1.0249766182202713
Energy: 1.0223482774850627
Energy: 1.1665858305123453
Energy: 1.1160809661941664
Energy: 1.392667025536828
Energy: 1.1667600919352838
Energy: 1.0242748186382142
Energy: 1.2994919409085945
Energy: 1.4411238125779353
Energy: 1.0560599046845076
Energy: 1.4413424438285127
Energy: 1.007365319565995
Energy: 1.1156999472914537
Energy: 1.0256389463945197
Energy: 0.9685787786179527
Energy: 1.0558193998461651
Energy: 1.166743112518588
Energy: 1.418902063047254
Energy: 1.3788011974983052
Energy: 1.166686121327355
Energy: 1.415754258995371
Energy: 1.3783187926922662
Energy: 1.1167447949542908
Energy: 1.055300530356149
Energy: 1.1494996053514581
Energy: 1.1170445947225007
Energy: 1.0563995237676829
Energy: 1.1491935698983244
Energy: 1.1889557701505757
Energy: 1.2737753221042427
Energy: 1.1611303555983092
Energy: 1.1894631227298238
Energy: 1.3111768572103366
Energy: 1.1603604499615578
Energy: 1.022689099293559
Energy: 1.0265732054428602
Energy: 1.0930105366526583
Energy: 1.0227115258137072
Energy: 1.0231489294215486
Energy: 1.066908896071893
Energy: 1.711358671804776
Energy: 1.0496250420467794
Energy: 0.9698195008355317
Energy: 1.2406861626422305
Energy: 1.4427719234808523
Energy: 1.0441514492083372

minimum gb energy = 0.9685787786179527 eV
minimum distance =  2.32316257894411 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.3812470151481215
Energy: 1.2687290476459208
Energy: 1.12080179956267
Energy: 1.3843490264132663
Energy: 1.332215459989727
Energy: 1.1202793972293956
Energy: 1.1277807722700086
Energy: 1.12306668197832
Energy: 1.0871039844928616
Energy: 1.088575176609423
Energy: 1.1260742799528403
Energy: 1.0868416351624008
Energy: 1.1308056039055019
Energy: 1.0909149671339942
Energy: 1.091779799998804
Energy: 1.130913852675087
Energy: 1.1792779843429384
Energy: 1.0946859372559847
Energy: 1.1336472338145476
Energy: 1.1328587401638712
Energy: 1.0908764222522793
Energy: 1.1310641393112815
Energy: 1.1769754368922933
Energy: 1.0895083898513924
Energy: 1.1273827711228233
Energy: 1.0916356589982095
Energy: 1.0537164252191562
Energy: 1.1235294199894656
Energy: 1.1329503179393567
Energy: 1.1904860605072953
Energy: 1.2320929215905287
Energy: 1.0596094133779224
Energy: 1.060598493292323
Energy: 1.2316804201043134
Energy: 1.4891926952839039
Energy: 1.0597030844571564
Energy: 1.2945875862129672
Energy: 1.0537345619318073
Energy: 1.0916372071022953
Energy: 1.127989675929846
Energy: 1.0906205000735405
Energy: 1.0889739175241095
Energy: 1.1922741005177553
Energy: 1.1023856002438128
Energy: 1.128882421675557
Energy: 1.1999311661194527
Energy: 1.1037433476876892
Energy: 1.0917625193928513
Energy: 1.197349274239522
Energy: 1.0511996795034222
Energy: 1.0510855754966597
Energy: 1.2054595246875193
Energy: 1.0538532477004459
Energy: 1.0512745684815863
Energy: 1.2948760931833823
Energy: 1.0571740702808818
Energy: 1.0609116588099743
Energy: 1.1303871630743818
Energy: 1.0601022663889446
Energy: 1.0544438571269001
Energy: 1.2950947767462144
Energy: 1.171941653984452
Energy: 1.091466537068421
Energy: 1.1321317492632517
Energy: 1.139540371102875
Energy: 1.0907464235578088
Energy: 1.1950510716393032
Energy: 1.0528542739397915
Energy: 1.051715753423017
Energy: 1.1948269252795245
Energy: 1.0572957415393103
Energy: 1.052583024258893
Energy: 1.1262808417593246
Energy: 1.0530625407166556
Energy: 1.0514304583005991
Energy: 1.1260190716227467
Energy: 1.05664688560242
Energy: 1.2146957633624922
Energy: 1.1284026331722992
Energy: 1.1699036779871559
Energy: 1.0897266254995932
Energy: 1.1299203623802807
Energy: 1.2119432337104488
Energy: 1.0885204825589792
Energy: 1.0530279756124448
Energy: 1.2114600764060428
Energy: 1.1286985462209522
Energy: 1.1309350730546652
Energy: 1.1803117646334778
Energy: 1.0909677493739431
Energy: 1.12417180227944
Energy: 1.1260235527089701
Energy: 1.1784471654167332
Energy: 1.1375108961639815
Energy: 1.1283576874929675
Energy: 1.088660580183528
Energy: 1.6404983653220035
Energy: 1.242066241505477
Energy: 1.3792070924379969
Energy: 1.4896220189660543
Energy: 1.1651005863528037
Energy: 1.0545602785662143
Energy: 1.197455681928692
Energy: 1.1253389828559621
Energy: 1.1868821005689045
Energy: 1.1301028611090402
Energy: 1.2070164211641783
Energy: 1.0514022086170285
Energy: 1.1313678172158879
Energy: 1.054264396207872
Energy: 1.0537752401188523
Energy: 1.1325731885218246
Energy: 1.1999320368454114
Energy: 1.087946369091882
Energy: 1.054710874311234
Energy: 1.0514709260262725
Energy: 1.051388517106577
Energy: 1.0543869407649968
Energy: 1.1998701933843725
Energy: 1.0936555323688837
Energy: 1.0535515059094136
Energy: 1.0893690312788935
Energy: 1.0517760749093976
Energy: 1.0543701585794
Energy: 1.1792009966098307
Energy: 1.053294587233296
Energy: 1.350041367098657
Energy: 1.0636045351002064
Energy: 1.0618952203447802
Energy: 1.349533669263183
Energy: 1.1663323779145514
Energy: 1.3794163167538664
Energy: 1.2224466920452715
Energy: 1.1234012387335865
Energy: 1.0908660703896602
Energy: 1.0889087494621756
Energy: 1.1250814034267091
Energy: 1.0518600136159988
Energy: 1.2001109772092504
Energy: 1.8686116802000803
Energy: 1.389761103292548
Energy: 1.2141498667365593
Energy: 1.818910568751085
Energy: 1.0493501461380177
Energy: 1.295584166586267
Energy: 1.1228957184866033
Energy: 1.0885457079737695
Energy: 1.0547748010259708
Energy: 1.1239977329440423
Energy: 1.0887175037366932
Energy: 1.1349225195008075
Energy: 1.1802947827708181
Energy: 1.0884309404936943
Energy: 1.1302432587518736
Energy: 1.1309394639728965
Energy: 1.0940623543525385
Energy: 1.1307333854508936
Energy: 1.092573504236157
Energy: 1.1290076187593483
Energy: 1.1305530922948983
Energy: 1.1794483634422501
Energy: 1.0898028320019224
Energy: 1.126225209381172
Energy: 1.0531856975507543
Energy: 1.051079563577309
Energy: 1.1268929799632534
Energy: 1.1313233835740961
Energy: 1.0874972756098862
Energy: 1.4932804107547937
Energy: 1.0607083810172788
Energy: 1.0597813403818375
Energy: 1.493305129257277
Energy: 1.4899378080529495
Energy: 1.0617230621180649
Energy: 1.1971406821519233
Energy: 1.051575451890575
Energy: 1.0511584079554603
Energy: 1.1265139921148142
Energy: 1.090189660621566
Energy: 1.0899992036290833
Energy: 1.193361027821979
Energy: 1.0905257453316466
Energy: 1.0704395678391139
Energy: 1.198844561819393
Energy: 1.0903809144740597
Energy: 1.0683511230958154
Energy: 1.1996675176570195
Energy: 1.054087127324031
Energy: 1.0528564611460616
Energy: 1.1262849235594705
Energy: 1.0556848283324782
Energy: 1.0518483101194263
Energy: 1.2954043895483298
Energy: 1.138020928973727
Energy: 1.1378509819526514
Energy: 1.1304321413430163
Energy: 1.140680590195907
Energy: 1.093028575689009
Energy: 1.2947222264471878
Energy: 1.089803971023486
Energy: 1.0914404389774277
Energy: 1.135902097466011
Energy: 1.376879693414226
Energy: 1.0924538521288327
Energy: 1.199608347996886
Energy: 1.0529998531996765
Energy: 1.0520409403762534
Energy: 1.2008169468573617
Energy: 1.0563385753302923
Energy: 1.0513499082669804
Energy: 1.1336989186749478
Energy: 1.1333940624373802
Energy: 1.049917996851124
Energy: 1.1326309008529967
Energy: 1.0489257496612399
Energy: 1.049178529594295
Energy: 1.124857300330787
Energy: 1.170926454196962
Energy: 1.0901919007795315
Energy: 1.1259827680599268
Energy: 1.211540810457775
Energy: 1.088185594251464
Energy: 1.078576130554409
Energy: 1.0909238606270284
Energy: 1.0903118500560416
Energy: 1.0785761423450289
Energy: 1.1315652510566807
Energy: 1.0902359783398823
Energy: 1.125006780204791
Energy: 1.1770922459587128
Energy: 1.1780745581633767
Energy: 1.1383461385733145
Energy: 1.1299295827432252
Energy: 1.0874403958099872
Energy: 1.6409638429711162
Energy: 1.124086738811841
Energy: 1.1603463940401173
Energy: 1.4892240058403956
Energy: 1.1241618058766303
Energy: 1.054748022369372
Energy: 1.1952942534579285
Energy: 1.2431031898035325
Energy: 1.1603403297192798
Energy: 1.1328466916167375
Energy: 1.2067089964483804
Energy: 1.0541543643320086
Energy: 1.1286828863106155
Energy: 1.2917334897479618
Energy: 1.0527192008324928
Energy: 1.143980747693352
Energy: 1.1993669997013259
Energy: 1.0923268063039113
Energy: 1.0580198298894727
Energy: 1.0495999950157788
Energy: 1.0531928438031577
Energy: 1.138792789877892
Energy: 1.2001689176232637
Energy: 1.0527109678566464
Energy: 1.051569575818752
Energy: 1.0517700389664868
Energy: 1.0546072007961307
Energy: 1.052403612513962
Energy: 1.1731572636670002
Energy: 1.050833409847172
Energy: 1.1750957234649082
Energy: 1.0633229866436935
Energy: 1.0911888901786457
Energy: 1.1745041157908866
Energy: 1.1653846975468558
Energy: 1.0973729842631759
Energy: 1.12365561927235
Energy: 1.1789732852858552
Energy: 1.089324803040285
Energy: 1.0550862167044839
Energy: 1.1254248054229523
Energy: 1.087667440625636
Energy: 1.3886759243094173
Energy: 1.4545538418864312
Energy: 1.049490855989796
Energy: 1.0585200184313381
Energy: 1.4551272390535646
Energy: 1.1342712734877214

minimum gb energy = 1.0489257496612399 eV
minimum distance =  2.30613217288741 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.6058706393410331
Energy: 1.234387204458658
Energy: 1.1096642378190227
Energy: 1.6099609049493186
Energy: 2.3183161570300923
Energy: 1.1096100902617243
Energy: 1.2152605789251911
Energy: 1.1230326877918604
Energy: 1.122654301123916
Energy: 1.2313281250054935
Energy: 1.1994073930654414
Energy: 1.1141274012325613
Energy: 1.3585270545648316
Energy: 1.0727424252793765
Energy: 1.127350417488198
Energy: 1.2332202863858943
Energy: 1.0726057695074211
Energy: 1.1273045799700623
Energy: 1.2302930159937377
Energy: 1.1250444932217145
Energy: 1.1247494159200713
Energy: 1.2304258213348924
Energy: 1.1410493000754283
Energy: 1.124738285845083
Energy: 1.2099222524646733
Energy: 1.142624860180763
Energy: 1.1427209719221239
Energy: 1.2104672444012785
Energy: 1.1425508328458447
Energy: 1.1434653085356423
Energy: 1.2116709528270544
Energy: 1.0895142110634117
Energy: 1.2122953133865295
Energy: 1.2118688912231799
Energy: 1.3492536857095079
Energy: 1.2117548347505194
Energy: 1.3647056558402675
Energy: 1.1419562987560414
Energy: 1.1387422803096487
Energy: 1.3647318008734908
Energy: 1.2109487917635215
Energy: 1.112385919078569

minimum gb energy = 1.0726057695074211 eV
minimum distance =  2.35654738119668 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.1135119206686244
Energy: 1.8175269748092515
Energy: 1.3912265959116485
Energy: 1.6429422669679934
Energy: 1.5901208562461164
Energy: 1.3967273268259184
Energy: 1.1922158608988902
Energy: 1.3588884260212482
Energy: 1.3055487550240468
Energy: 1.3027678020304476
Energy: 1.4492004420686468
Energy: 1.1938166729293216
Energy: 1.2565983651602113
Energy: 1.185485833716279
Energy: 1.1845982702313993
Energy: 1.2567044485998855
Energy: 1.1852725134294761
Energy: 1.1931547133796587
Energy: 1.1996148832784113
Energy: 1.1932012582369909
Energy: 1.1929807873754013
Energy: 1.1997674856481233
Energy: 1.184593852097543
Energy: 1.19293380838234
Energy: 1.1916054882474378
Energy: 1.1946539035210313
Energy: 1.1943187359686456
Energy: 1.1922418559685282
Energy: 1.2611025321741767
Energy: 1.193223620870724
Energy: 1.1922681769459187
Energy: 1.261277772601696
Energy: 1.195167685955553
Energy: 1.192679396491455
Energy: 1.2910264006401766
Energy: 1.1942806730460627
Energy: 1.1922859833066017
Energy: 1.4212720324370938
Energy: 1.2486048839094699
Energy: 1.2809933734071155
Energy: 1.4259648915096106
Energy: 1.2178213796732735
Energy: 1.954415310037459
Energy: 1.6168746831618586
Energy: 1.3791286041842186
Energy: 1.9587766996193323
Energy: 1.6162210405760704
Energy: 1.3967236968926309
Energy: 1.1948955164074846
Energy: 1.2214239648918763
Energy: 1.2983255287510527
Energy: 1.255149673403266
Energy: 1.358049729950147
Energy: 1.21513923659068
Energy: 1.785317865139765
Energy: 1.2259372924115899
Energy: 1.2258200433069175
Energy: 1.7062971688719357
Energy: 1.2267565827745328
Energy: 1.3520501461525951
Energy: 1.3728183446626494
Energy: 1.2458754064863298
Energy: 1.246336388189914
Energy: 1.3743391818340407
Energy: 1.3749373574242132
Energy: 1.2357155278818857
Energy: 1.3655137367503078
Energy: 1.2466347578993637
Energy: 1.195850480267458
Energy: 1.342853848201585
Energy: 1.1947937753798379
Energy: 1.1968303374145972
Energy: 1.3628734057542893
Energy: 1.1949528962486538
Energy: 1.196835430236982
Energy: 1.3302842061827698
Energy: 1.1943817457558419
Energy: 1.1970808806702773
Energy: 1.3387563699819178
Energy: 1.1942653165779311
Energy: 1.194328865731881
Energy: 1.340860239862374
Energy: 1.2013712290069134
Energy: 1.194869128325562
Energy: 1.723778839140696
Energy: 1.1965324635354107
Energy: 1.196680514111244
Energy: 1.291588821492671
Energy: 1.1961129955518415
Energy: 1.1969740729018727
Energy: 1.451666312967208
Energy: 1.195841099636897
Energy: 1.258787903425751
Energy: 1.4539210751115612
Energy: 1.2529739780726783
Energy: 1.2583119088486725
Energy: 1.5901225549458753
Energy: 1.280894819856775
Energy: 1.2810251812796578
Energy: 1.5762660567988518
Energy: 1.317250762847683
Energy: 1.4323655151994823
Energy: 1.383822896021657
Energy: 1.2659101631212435
Energy: 1.2668743960851703
Energy: 1.3837648505579574
Energy: 1.4088479992655871
Energy: 1.2656779206111752
Energy: 1.5367759856031507
Energy: 1.4372987170669773
Energy: 1.2386096739568717
Energy: 1.380736504247575
Energy: 1.1946685050637924
Energy: 1.1933803709151072
Energy: 1.5903393746501766
Energy: 1.2663003010419231
Energy: 1.239028530046034
Energy: 1.3538043054251399
Energy: 1.2671100202169865
Energy: 1.2259106822518022
Energy: 1.2739953757906164
Energy: 1.2721533404082448
Energy: 1.2656224721410243
Energy: 1.2802659395021345
Energy: 1.278943433557368
Energy: 1.270451580280143
Energy: 1.2781754056169639
Energy: 1.2659825520025945
Energy: 1.2742137010792496
Energy: 1.2838839737326284
Energy: 1.2635918460837778
Energy: 1.2753783423423763
Energy: 1.2740043324281187
Energy: 1.2699289519663284
Energy: 1.3440874129126876
Energy: 1.2763826423825582
Energy: 1.290910055496448
Energy: 1.3454410451739278
Energy: 1.274713391764002
Energy: 1.1954695797631874
Energy: 1.1948978605703031
Energy: 1.274743138408263
Energy: 1.1961119242945228
Energy: 1.2759479059919203
Energy: 1.1900433504095498
Energy: 1.1776184579247322
Energy: 1.1772223828920902
Energy: 1.1769410035237755
Energy: 1.447179942300454
Energy: 1.1773790983654417
Energy: 2.0007683868915933
Energy: 1.4834646273210041
Energy: 1.363487722298603
Energy: 1.1789708644640835
Energy: 1.3851866488760058
Energy: 1.3068699287309702
Energy: 1.317819539069104
Energy: 1.5350404015158665
Energy: 1.3771656396594465
Energy: 1.3185371945434672
Energy: 1.4439682933952558
Energy: 1.1774771389102041
Energy: 1.1772360928776417
Energy: 1.177587410793563
Energy: 1.1771699011635
Energy: 1.177141712352216
Energy: 1.4974332832612607
Energy: 1.1775230036257913
Energy: 1.2103976622587966
Energy: 1.1864218656376693
Energy: 1.185309763470608
Energy: 1.2100447212537662
Energy: 1.1860207375852498
Energy: 1.2115377484493624
Energy: 1.209706824605499
Energy: 1.2493172844258154
Energy: 1.237388409637119
Energy: 1.212096412508519
Energy: 1.377341388598618
Energy: 1.2255776654609267
Energy: 1.2118426524079395
Energy: 1.2668370704585883
Energy: 1.2432526430435116
Energy: 1.2124031147452183
Energy: 1.3191880740471609
Energy: 1.2662433271623568
Energy: 1.2195556790355548
Energy: 1.2650153934309312
Energy: 1.2656554127858215
Energy: 1.209121211954487
Energy: 1.4507775257509
Energy: 1.2737181826888784
Energy: 1.8026770063352016
Energy: 1.4037990983555793
Energy: 1.3222363118096356
Energy: 1.1947582579064469
Energy: 1.4036736425033143
Energy: 1.2806756614537091
Energy: 1.2501747598614394
Energy: 1.3720161746771806
Energy: 1.195623456250798
Energy: 1.277245790674948
Energy: 1.1947818995951562
Energy: 1.1966558346671479
Energy: 1.2697098296490907
Energy: 1.2456272864744475
Energy: 1.2464271916154517
Energy: 1.2698449635783564
Energy: 1.4260275460102971
Energy: 1.2424420121767061
Energy: 1.3965566783224173
Energy: 1.2258812705504116
Energy: 1.2259246080272084
Energy: 1.396895365671847
Energy: 1.2263010489226867
Energy: 1.352004008505889
Energy: 1.4030939804984004
Energy: 1.1951032039667475
Energy: 1.1950707517959525
Energy: 1.2831034146568803
Energy: 1.329871255433743
Energy: 1.35307918312519
Energy: 1.6177051887271139
Energy: 1.1964884141372734
Energy: 1.1959861617824732
Energy: 1.3615373425741037
Energy: 1.1958471667944686
Energy: 1.3556988726703125
Energy: 1.343027697224283
Energy: 1.1944804126465904
Energy: 1.1944871263939671
Energy: 1.3447155846498415
Energy: 1.2016604858341127
Energy: 1.1951106290253155
Energy: 1.7194927344811997
Energy: 1.1947942835003054
Energy: 1.196046033633725
Energy: 1.2435057635783138
Energy: 1.1942898007128437
Energy: 1.196203799390173
Energy: 1.415883963782876
Energy: 1.1947207312623984
Energy: 1.1946995504111921
Energy: 1.3078682534238684
Energy: 1.1943912323495935
Energy: 1.194515506096369
Energy: 1.4151776686187512
Energy: 1.3532650544091853
Energy: 1.349215133181911
Energy: 1.4151106149607235
Energy: 1.2372269437209449
Energy: 1.290817828719822
Energy: 1.6007207735734579
Energy: 1.2804400894974197
Energy: 1.2804766312062283
Energy: 1.6003987615048267
Energy: 1.184628074351247
Energy: 1.3493488137448728
Energy: 1.3038618636043526
Energy: 1.2497005990901942
Energy: 1.1948492312003742
Energy: 1.3779658055238195
Energy: 1.382206668339599
Energy: 1.1946412504475674
Energy: 1.841393171119126
Energy: 1.2576079472198929
Energy: 1.272024795235075
Energy: 1.8426993913104255
Energy: 1.2573589531008338
Energy: 1.2721229619659555
Energy: 1.2587823194088925
Energy: 1.2665174127275
Energy: 1.239751681957144
Energy: 1.2709484695603248
Energy: 1.259944953909316
Energy: 1.2762224949865766
Energy: 1.257287571753159
Energy: 1.2799848424668254
Energy: 1.232961329394717
Energy: 1.2599712676403847
Energy: 1.2752851559816032
Energy: 1.2342771017841276
Energy: 1.270553496428581
Energy: 1.2400891786698323
Energy: 1.240004643783686
Energy: 1.2567673793775884
Energy: 1.275194265564494
Energy: 1.2394917938825358
Energy: 1.2656050781196544
Energy: 1.1935052439935219
Energy: 1.1932432799410946
Energy: 1.266793138953737
Energy: 1.1946196934707687
Energy: 1.1932150786613795
Energy: 1.345805085098293
Energy: 1.1936226449475311
Energy: 1.193167562573662
Energy: 1.3468104776792034
Energy: 1.1957406399523836
Energy: 1.1931312170603399
Energy: 1.183401913393563
Energy: 1.274287885626036
Energy: 1.237622308625025
Energy: 1.3726849308466642
Energy: 1.4192773575383735
Energy: 1.3066531748620047

minimum gb energy = 1.1769410035237755 eV
minimum distance =  2.29265587890567 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.0560026046782007
Energy: 1.1684078601975156
Energy: 1.2114602870627453
Energy: 1.2103579127113877
Energy: 1.169687849553438
Energy: 1.2103232321504382
Energy: 1.1667434353625081
Energy: 1.1710436063986804
Energy: 1.2785259242988312
Energy: 1.1710148206974105
Energy: 1.1710897829220122
Energy: 1.2087716811585185
Energy: 1.166117258926025
Energy: 1.20275225064435
Energy: 1.1604546280789714
Energy: 1.1665489247492435
Energy: 1.1614463890234066
Energy: 1.1695098631050609
Energy: 1.1663117605780413
Energy: 1.2016771758933533
Energy: 1.2068268388217638
Energy: 1.1661923644287202
Energy: 1.16044197647922
Energy: 1.281351241327765
Energy: 1.1661976162567573
Energy: 1.205310734672248
Energy: 1.2054167144107797
Energy: 1.166320589816264
Energy: 1.1669902491597972
Energy: 1.205273618968538
Energy: 1.2696963160047139
Energy: 1.166097332020989
Energy: 1.1680553378357421
Energy: 1.2699562035378649
Energy: 1.209047624282729
Energy: 1.1669339337624614
Energy: 1.164233116499878
Energy: 1.17174195589871
Energy: 1.2091098156310418
Energy: 1.1735458252230389
Energy: 1.1714283394326208
Energy: 1.2108193409978643
Energy: 1.6342845135453385
Energy: 1.444532539494356
Energy: 1.4174746298721033
Energy: 1.633895667306621
Energy: 1.4467111718971841
Energy: 1.1991703051673221
Energy: 1.1669509333438262
Energy: 1.1716993865855014
Energy: 1.2081058616482665
Energy: 1.172211888298726
Energy: 1.1712851348056001
Energy: 1.2069437898630833
Energy: 1.2773868893416924
Energy: 1.160938074497103
Energy: 1.1606391208601563
Energy: 1.2603937918736352
Energy: 1.1609644480996346
Energy: 1.1608869161715298
Energy: 1.1712023069638875
Energy: 1.1599994138228826
Energy: 1.1598431117416768
Energy: 1.171394064465517
Energy: 1.1597716570676686
Energy: 1.2085587106147357
Energy: 1.161271176536688
Energy: 1.2809008407213187
Energy: 1.165029715939593
Energy: 1.1609811527895695
Energy: 1.17182643336898
Energy: 1.1676086448949294
Energy: 1.1620441884700838
Energy: 1.1663178350849353
Energy: 1.2784298633988627
Energy: 1.1614151847437721
Energy: 1.1659621507763671
Energy: 1.2018533269903033
Energy: 1.1726448929094364
Energy: 1.1649309383527977
Energy: 1.1656649760599331
Energy: 1.1729930279757896
Energy: 1.1649470231186854
Energy: 1.282834997638068
Energy: 1.6452886540752953
Energy: 1.1652649372056183
Energy: 1.2332713708270677
Energy: 1.209302936687235
Energy: 1.2829940153973594
Energy: 1.1674691061360079
Energy: 1.171739801704967
Energy: 1.2783924181527682
Energy: 1.279930037834087
Energy: 1.1719007084019537
Energy: 1.1717846437283161
Energy: 1.2074958211442328
Energy: 1.4186752545345918
Energy: 1.1623321865386536
Energy: 1.199788369023693
Energy: 1.4187535145961585
Energy: 1.204398901275606
Energy: 1.2568109695601333
Energy: 1.166954549087123
Energy: 1.17089226154717
Energy: 1.2078813744073964
Energy: 1.172702112001499
Energy: 1.1718493469955082
Energy: 1.2079547201643555
Energy: 1.1621568699615332
Energy: 1.2799096307186781
Energy: 1.159988820709428
Energy: 1.2006898889186304
Energy: 1.271059083016438
Energy: 1.1597187359816938
Energy: 1.4288899900553724
Energy: 1.2797920446823594
Energy: 1.1600757363539247
Energy: 1.1606824302911625
Energy: 1.1727220582067992
Energy: 1.160084272773574
Energy: 1.1666203977511531
Energy: 1.174931556815675
Energy: 1.2110878212255365
Energy: 1.171587792013764
Energy: 1.172958755792312
Energy: 1.2797255988933887
Energy: 1.1663049782944939
Energy: 1.1605012563486625
Energy: 1.1609716586259047
Energy: 1.1666530700668223
Energy: 1.1622584641405076
Energy: 1.2220187763846408
Energy: 1.1648027701583241
Energy: 1.2074665703349923
Energy: 1.283300050535142
Energy: 1.166076941989714
Energy: 1.1725296734138972
Energy: 1.1640340686339743
Energy: 1.1667035968888795
Energy: 1.2052714341655706
Energy: 1.2058740151797858
Energy: 1.1667349554260555
Energy: 1.1664061352206645
Energy: 1.206055697253817
Energy: 1.2787910665982984
Energy: 1.207469153255713
Energy: 1.2086992073097347
Energy: 1.2790641713887643
Energy: 1.1721272192313577
Energy: 1.1657264141145824
Energy: 1.572346562948926
Energy: 1.4172198707118098
Energy: 1.2082803779520477
Energy: 1.203906053320554
Energy: 1.4179729723568035
Energy: 1.2084290750609927
Energy: 1.168939563854187
Energy: 1.1723525606174436
Energy: 1.166808518504764
Energy: 1.2039077023560345
Energy: 1.1720770019617524
Energy: 1.2078289607967965
Energy: 1.2799185333867817
Energy: 1.160030445525945
Energy: 1.2085064883204213
Energy: 1.2789890641723374
Energy: 1.1597676708080762
Energy: 1.2089018566657828
Energy: 1.1727598065129963
Energy: 1.1611405734974707
Energy: 1.1613072281613122
Energy: 1.1729851984283042
Energy: 1.1617733559257983
Energy: 1.1616709092970607
Energy: 1.1720332079732338
Energy: 1.2797154302253162
Energy: 1.2083907740012452
Energy: 1.173042880889966
Energy: 1.1711991104705697
Energy: 1.206493732854198
Energy: 1.1621794703140724
Energy: 1.324627072410997
Energy: 1.1676011650669396
Energy: 1.1617190276443847
Energy: 1.2591022151182796
Energy: 1.2043923402811239
Energy: 1.1725052830531133
Energy: 1.165358380297407
Energy: 1.1651911415613656
Energy: 1.1703250244149748
Energy: 1.1652495611734248
Energy: 1.1662163337686722
Energy: 1.1717066247039107
Energy: 1.2798250292100077
Energy: 1.2060791199507737
Energy: 1.2087014871240738
Energy: 1.165901514937812
Energy: 1.2058178116858034
Energy: 1.1714822558189153
Energy: 1.1651440943342461
Energy: 1.1651298525082388
Energy: 1.1715454010123838
Energy: 1.3475717274603665
Energy: 1.1664071073045228
Energy: 1.1716076176223726
Energy: 1.207675130309234
Energy: 1.2081731599766028
Energy: 1.1716150974163588
Energy: 1.2035577760957754
Energy: 1.208825061568957
Energy: 1.425490798071001
Energy: 1.204260062241865
Energy: 1.1624916405793266
Energy: 1.4254973689921049
Energy: 1.2042116047293758
Energy: 1.3244750651916042
Energy: 1.1689831503041697
Energy: 1.1711508923672596
Energy: 1.2788460670383797
Energy: 1.172730668089841
Energy: 1.1714836421741874
Energy: 1.207344884772699
Energy: 2.0574077113468374
Energy: 1.3449461891716838
Energy: 1.211649769862154
Energy: 1.1624732003658127
Energy: 1.2650596612510994
Energy: 1.2121465104239748

minimum gb energy = 1.1597187359816938 eV
minimum distance =  2.35854180026951 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.153253767226968
Energy: 1.5746059298443724
Energy: 1.4201675162587162
Energy: 1.2894941782203377
Energy: 1.5748284578045257
Energy: 1.2890559676830007
Energy: 1.2426733119067448
Energy: 1.2101755277217217
Energy: 1.3926010845477939
Energy: 1.3126015610636033
Energy: 1.3151215074234277
Energy: 1.3728394027714872
Energy: 1.223574395722614
Energy: 1.2072399581906035
Energy: 1.2093951036106227
Energy: 1.2236715767300967
Energy: 1.2150984661673694
Energy: 1.2264326583241558
Energy: 1.2269724816366758
Energy: 1.2160789304616666
Energy: 1.232240360744535
Energy: 1.2233246800108246
Energy: 1.387167835199674
Energy: 1.223646175421667
Energy: 1.2396168419333047
Energy: 1.2501812631131068
Energy: 1.2984429312279349
Energy: 1.239837233202598
Energy: 1.2866832134092159
Energy: 1.2985044075086891
Energy: 1.2495547950454697
Energy: 1.2866676618687012
Energy: 1.299025237065944
Energy: 1.255987730043773
Energy: 1.2239773838254564
Energy: 1.2980663758689792
Energy: 1.2404250779963404
Energy: 1.2386618667825342
Energy: 1.2417668307044656
Energy: 1.2404021543726447
Energy: 1.2424430138835754
Energy: 1.2319411435046246
Energy: 1.4083747698714346
Energy: 1.224165926170741
Energy: 1.2234189184302204
Energy: 1.3252731930062587
Energy: 1.224753512495741
Energy: 1.3227276600581233
Energy: 1.3155128940124305
Energy: 1.2475382039809138
Energy: 1.2473162247597593
Energy: 1.3151631363141167
Energy: 1.2487275036977574
Energy: 1.2479475491728809
Energy: 1.4068492389338183
Energy: 1.3173195939954447
Energy: 1.3176243211923122
Energy: 1.4061082480140932
Energy: 1.3187680680312415
Energy: 1.3169393118953594
Energy: 1.2004964169422387
Energy: 1.2680655228082163
Energy: 1.3245657880219075
Energy: 1.2007929729553846
Energy: 1.3898675793794486
Energy: 1.3013546355847039
Energy: 1.4180801430446188
Energy: 1.2486103893922393
Energy: 1.247829643463856
Energy: 1.1973211378619342
Energy: 1.4224099201398015
Energy: 1.2477024000046535
Energy: 1.3385944467457829
Energy: 1.2315252626841242
Energy: 1.2468413702824162
Energy: 1.199824149982937
Energy: 1.2979252825420253
Energy: 1.2466973600498719
Energy: 1.2003051646850256
Energy: 1.233596037550057
Energy: 1.371507189594006
Energy: 1.2005903780367158
Energy: 1.3359823288304067
Energy: 1.3018615184291134
Energy: 1.202309971927431
Energy: 1.2295000662963051
Energy: 1.2268669145533382
Energy: 1.201397036943394
Energy: 1.3052409811937882
Energy: 1.2268601563180839
Energy: 1.2035600314899468
Energy: 1.2291640885955273
Energy: 1.2033900661891919
Energy: 1.203430279392262
Energy: 1.35595484645341
Energy: 1.2024190642667232
Energy: 1.2009737441328137
Energy: 1.2061689050105227
Energy: 1.2077503550588549
Energy: 1.201136318339934
Energy: 1.3690280465988445
Energy: 1.2037442562421568
Energy: 1.2006982567804914
Energy: 1.3293142547382388
Energy: 1.210683520619142
Energy: 1.200757771678096
Energy: 1.4086240611694014
Energy: 1.2106527439971044
Energy: 1.3145960651697397
Energy: 1.2031176142572277
Energy: 1.2027831484931313
Energy: 1.4116435383665384
Energy: 1.3056251132744083
Energy: 1.2419152137529357
Energy: 1.3137555785041493
Energy: 1.206294430434227
Energy: 1.2028654648293757
Energy: 1.2497949755892646
Energy: 1.2002816684096573
Energy: 1.2250928716896445
Energy: 1.2006975538836686
Energy: 1.3122363807006114
Energy: 1.328124345939516
Energy: 1.2005940214322974
Energy: 1.4193175813936136
Energy: 1.3283177565076811
Energy: 1.473255784633973
Energy: 1.2454980642248112
Energy: 1.3379272492618148
Energy: 1.4734334554762905
Energy: 1.2036965763342478
Energy: 1.4176319411868497
Energy: 1.4066828652105063
Energy: 1.2117950495173995
Energy: 1.328731170434164
Energy: 1.4083152545090736
Energy: 1.320735498453719
Energy: 1.3210233271436398
Energy: 1.3920816581451605
Energy: 1.4678119832670313
Energy: 1.2030341275577805
Energy: 1.434788177008096
Energy: 1.20362348450483
Energy: 1.2037189003424538
Energy: 1.4082416072152344
Energy: 1.1997023497879151
Energy: 1.2073245212468056
Energy: 1.40862738579389
Energy: 1.1997525119201566
Energy: 1.203087892283227
Energy: 1.3372703142385014
Energy: 1.2003517106525368
Energy: 1.2266772624618085
Energy: 1.3729881951488991
Energy: 1.2007604514240326
Energy: 1.2332652783996902
Energy: 1.3369872097532927
Energy: 1.2031602802811912
Energy: 1.2033419208570975
Energy: 1.3369307760018292
Energy: 1.2010711299273058
Energy: 1.2031675116528804
Energy: 1.2967143857651475
Energy: 1.3475980930468003
Energy: 1.232600088376187
Energy: 1.2966905165129572
Energy: 1.3140640131556616
Energy: 1.2328226917936802
Energy: 1.3065100784829644
Energy: 1.2230537944306614
Energy: 1.2238425338680188
Energy: 1.3065444206332828
Energy: 1.31878061124184
Energy: 1.2247233118871375
Energy: 1.2241898390134633
Energy: 1.210264759096369
Energy: 1.3701584195526422
Energy: 1.3120777314639667
Energy: 1.314837421937196
Energy: 1.2471900685560244
Energy: 2.1571391710790637
Energy: 1.4380182110529947
Energy: 1.4423989027483357
Energy: 1.2466480928928363
Energy: 1.435427966727276
Energy: 1.3883444383976777

minimum gb energy = 1.1973211378619342 eV
minimum distance =  2.26907135300764 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.7633725066284063
Energy: 1.3505216380749554
Energy: 1.385714315341149
Energy: 1.6806590175925689
Energy: 1.271211639121849
Energy: 1.4941099252080403
Energy: 1.5718864658374885
Energy: 1.2966412172803754
Energy: 1.294636247917502
Energy: 1.2188451506746483
Energy: 1.4001867077631172
Energy: 1.29451318449776
Energy: 1.7261245827559544
Energy: 1.218612261567167
Energy: 1.2182063072999263
Energy: 1.5673901861119262
Energy: 1.217830477259718
Energy: 1.217782299117867
Energy: 1.3755325136299696
Energy: 1.2178082978554963
Energy: 1.2177754510793937
Energy: 1.3781491671414916
Energy: 1.2180171516948448
Energy: 1.2093393520914528
Energy: 1.374994466186791
Energy: 1.4413313752581862
Energy: 1.337893452826125
Energy: 1.376334235133927
Energy: 1.335860443031994
Energy: 1.3701445330652162
Energy: 1.217581340357632
Energy: 1.3304122647479195
Energy: 1.363752584803571
Energy: 1.3767841430387302
Energy: 1.3755907382587151
Energy: 1.3711495114807943
Energy: 1.3954620748437478
Energy: 1.3736841891342497
Energy: 1.3731629436608874
Energy: 1.4343378208880804
Energy: 1.375947507210394
Energy: 1.3744526964673285
Energy: 1.3072155936640717
Energy: 1.4748686876382338
Energy: 1.4448857992708226
Energy: 1.3071592875249776
Energy: 1.4269813289323905
Energy: 1.3854842249852306
Energy: 1.4076996488579223
Energy: 1.4277974570832948
Energy: 1.3854004772228312
Energy: 1.4084302853394393
Energy: 1.3859453002336115
Energy: 1.427628295688602
Energy: 1.6609985603865685
Energy: 1.308842457552408
Energy: 1.3092393596534933
Energy: 1.6620701214679963
Energy: 1.3087250474725856
Energy: 1.3081395113967569
Energy: 1.5085540799118209
Energy: 1.307407119396279
Energy: 1.3494792664667754
Energy: 1.3564759184380244
Energy: 1.356448690367674
Energy: 1.3458780600889244
Energy: 1.1487057506722405
Energy: 1.3799690128107378
Energy: 1.3800301100578196
Energy: 1.151145966431868
Energy: 1.5676220340381921
Energy: 1.330585543618707
Energy: 1.158092124614399
Energy: 1.381187454115528
Energy: 1.3313171381789177
Energy: 1.3318910224450577
Energy: 1.3815167817016925
Energy: 1.3311370785013894
Energy: 1.5049711266326302
Energy: 1.455694525393716
Energy: 1.4489619173451294
Energy: 1.3578433417000524
Energy: 1.4310768637496334
Energy: 1.3499987359956978
Energy: 1.3739004585088819
Energy: 1.2187495500912415
Energy: 1.2766164365910957
Energy: 1.3736239276017348
Energy: 1.2182687959967828
Energy: 1.2768643584389041
Energy: 1.3732913615747444
Energy: 1.3905815091243403
Energy: 1.3954385421645479
Energy: 1.374407939111859
Energy: 1.5647077064055126
Energy: 1.4005375158322422
Energy: 1.3946815748008399
Energy: 1.3673486631922747
Energy: 1.367911470712592
Energy: 1.3929571033700296
Energy: 1.4041380356654116
Energy: 1.3670194063706698
Energy: 1.394609052379072
Energy: 1.3751003299820173
Energy: 1.3808098156821604
Energy: 1.43616723614285
Energy: 1.3746086739531898
Energy: 1.3816755385906856
Energy: 1.4331185114426974
Energy: 1.3749785219136677
Energy: 1.406176657112573
Energy: 1.4198418849603172
Energy: 1.3747689737572681
Energy: 1.4057896449008818
Energy: 1.3868104955899212
Energy: 1.3931444408768308
Energy: 1.3823356756883463
Energy: 1.3842368954314306
Energy: 1.5625339882253166
Energy: 1.4080439033033454
Energy: 1.382344633667845
Energy: 1.4185009808691476
Energy: 1.4875520119967256
Energy: 1.3889746698950627
Energy: 1.4387490989586333
Energy: 1.2085875761062426
Energy: 1.4825771926667741
Energy: 1.3083951288555051
Energy: 1.3635703923907232
Energy: 1.409469542766051
Energy: 1.3093428788213697
Energy: 1.3636727593053433
Energy: 1.5688970768652017
Energy: 1.2963429377626097
Energy: 1.2965051582123246
Energy: 1.21602027053254
Energy: 1.3985103347339223
Energy: 1.2122125212600605
Energy: 1.2701354051109566
Energy: 1.302639796818242
Energy: 1.3312298621777074
Energy: 1.3327250527117953
Energy: 1.302848540329244
Energy: 1.43903358474324

minimum gb energy = 1.1487057506722405 eV
minimum distance =  2.33395091173898 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.874994212522989
Energy: 1.2965040518695998
Energy: 1.401178496463273
Energy: 1.1776362513675191
Energy: 1.2976881801455564
Energy: 1.1775349287605863
Energy: 1.3933523190908739
Energy: 1.237296777831569
Energy: 1.2373539835866256
Energy: 1.2532897313912714
Energy: 1.2389463649196117
Energy: 1.220575965511386
Energy: 1.5313439371276454
Energy: 1.1727015889297974
Energy: 1.1225237623606796
Energy: 1.5336890626479192
Energy: 1.1725388311521214
Energy: 1.1231227817166578
Energy: 1.2366092849477752
Energy: 1.1725773309542042
Energy: 1.1227147483924431
Energy: 1.2365356619772252
Energy: 1.0659156980992335
Energy: 1.2366267806122044
Energy: 1.1123217024463616
Energy: 1.195683632402394
Energy: 1.2162837146318812
Energy: 1.1128249190041481
Energy: 1.1949634447202495
Energy: 1.2160680638147825
Energy: 1.6322531122748827
Energy: 1.0956325229615398
Energy: 1.1846229754619022
Energy: 1.2277034942677616
Energy: 1.0953611321149026
Energy: 1.230087648458226
Energy: 1.1118812976461636
Energy: 1.094710373719491
Energy: 1.094793304493327
Energy: 1.1126270031349828
Energy: 1.0957459884681293
Energy: 1.1722865676996985
Energy: 1.3444502175508897
Energy: 1.236587345544761
Energy: 1.2945091495071328
Energy: 1.236301927115032
Energy: 1.2359813806242514
Energy: 1.25348149365909
Energy: 1.0992900426379695
Energy: 1.2380932904415496
Energy: 1.2372191960466588
Energy: 1.0969482943607436
Energy: 1.1874517122730166
Energy: 1.0954339603169974
Energy: 1.0948211394724932
Energy: 1.1847513064065553
Energy: 1.184942265823541
Energy: 1.0949146509029648
Energy: 1.2094583748309091
Energy: 1.1848969947124548
Energy: 1.2992898951243872
Energy: 1.2164115466137133
Energy: 1.216119110281419
Energy: 1.370535243859535
Energy: 1.2383904318470262
Energy: 1.194107964849504
Energy: 1.2566461431134814
Energy: 1.2366778477417835
Energy: 1.2363357529857164
Energy: 1.2569709169071408
Energy: 1.236766055331616
Energy: 1.2362938331189826
Energy: 1.2356296380616532
Energy: 1.3667566502593667
Energy: 1.2376458852430223
Energy: 1.2169784614943182
Energy: 1.3715446360170405
Energy: 1.2631750380381432
Energy: 1.253549897950143
Energy: 1.2379091572814325
Energy: 1.2379071526266905
Energy: 1.2532139986210058
Energy: 1.2374499287540528
Energy: 1.2374902720566219
Energy: 1.6339794838681447
Energy: 1.2373783193616141
Energy: 1.2364932863283022
Energy: 1.6336961461094974
Energy: 1.23679779952089
Energy: 1.3658121922464814
Energy: 1.5386441208034276
Energy: 1.2811366479995154
Energy: 1.2205648887171519
Energy: 1.5331636992855233
Energy: 1.2548477494909553
Energy: 1.237051400884919
Energy: 1.2337970008288346
Energy: 1.2370140665033236
Energy: 1.3497149060548317
Energy: 1.2321970343729913
Energy: 1.3691882814549696
Energy: 1.3499682345651156

minimum gb energy = 1.0659156980992335 eV
minimum distance =  2.3094811380737 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.9980876149137938
Energy: 1.295677826858143
Energy: 1.137461679607402
Energy: 1.1375853840702046
Energy: 1.6784666397420016
Energy: 1.1805961651282544
Energy: 1.4693903710309244
Energy: 1.2527378018338085
Energy: 1.2620979879245342
Energy: 1.2232413479841049
Energy: 1.257712563359326
Energy: 1.1396687926686875
Energy: 1.500911417708662
Energy: 1.171667485557795
Energy: 1.1618444949101385
Energy: 1.4107283832263038
Energy: 1.1719646208393724
Energy: 1.140376736970707
Energy: 1.2654774246145122
Energy: 1.1627248190711217
Energy: 1.1402337085100291
Energy: 1.2700651829328204
Energy: 1.066819087598088
Energy: 1.1398740230684012
Energy: 1.270008437796185
Energy: 1.2147066124586272
Energy: 1.195362109279468
Energy: 1.2528027783813822
Energy: 1.2087203713782737
Energy: 1.1983342208218288
Energy: 1.7635821610846198
Energy: 1.1123392876665323
Energy: 1.0391075319167722
Energy: 1.1697844402519304
Energy: 1.1123937245672906
Energy: 1.108072088975351
Energy: 1.4395686427968706
Energy: 1.1121438869639864
Energy: 1.1122235150350628
Energy: 1.406929356576176
Energy: 1.116366317531768
Energy: 1.168853319101604
Energy: 1.195751817892034
Energy: 1.1415878003056685
Energy: 1.1846957679435222
Energy: 1.2184784283494818
Energy: 1.1415621873999213
Energy: 1.2328929714359578
Energy: 1.0540835224664713
Energy: 1.1544196321348064
Energy: 1.1229830715514688
Energy: 1.0548099601130954
Energy: 1.1744382760944607
Energy: 1.0500203929661016
Energy: 1.050191250465571
Energy: 1.1824601251025941
Energy: 1.1831256299823198
Energy: 1.0504071508904922
Energy: 1.1835200653339812
Energy: 1.1870671935271353
Energy: 1.164253806158635
Energy: 1.0499522276309918
Energy: 1.1875211517503672
Energy: 1.1793199075932606
Energy: 1.0497950447833502
Energy: 1.1884190856817551
Energy: 1.1263062370662777
Energy: 1.049657092581865
Energy: 1.049556445690317
Energy: 1.1259785345034723
Energy: 1.0496500090196879
Energy: 1.1333177303029918
Energy: 1.1739974155171247
Energy: 1.1406869822926766
Energy: 1.1433204184006653
Energy: 1.2252178440989072
Energy: 1.112861116608671
Energy: 1.1893257318417154
Energy: 1.1129319211668647
Energy: 1.2095798546277616
Energy: 1.2100667866459414
Energy: 1.114431004523428
Energy: 1.3566156839934276
Energy: 1.1109563077348237
Energy: 1.1111250550892249
Energy: 1.0954119315358373
Energy: 1.095700157089732
Energy: 1.1114816513291137
Energy: 1.156097105082388
Energy: 1.190168270129691
Energy: 1.409518427338344
Energy: 1.2654312398759258
Energy: 1.2025770411261736
Energy: 1.3032017476107107
Energy: 1.2655686304764153
Energy: 1.1878964641671903
Energy: 1.0461822261542084
Energy: 1.2646778067400506
Energy: 1.264784590139791
Energy: 1.0481148938995961
Energy: 1.2644650450770722
Energy: 1.0853675852590978
Energy: 1.127613732798384
Energy: 1.3730479806261229
Energy: 1.273518825683461
Energy: 1.1279562983973563
Energy: 1.3753320637636677
Energy: 1.1522536165408885
Energy: 1.408969265410988
Energy: 1.273888052493948
Energy: 1.2202261691935337
Energy: 1.3126389017228222
Energy: 1.193698475233743
Energy: 1.2061192235521119
Energy: 1.6721807995151545
Energy: 1.087195729202559
Energy: 1.1897392581839368
Energy: 1.628406006493213
Energy: 1.155920438843703
Energy: 1.261455768354477
Energy: 1.466084495579833
Energy: 1.2736040943259694
Energy: 1.2776171272553816
Energy: 1.2438715724928022
Energy: 1.2741079823885457
Energy: 1.1792718468877492
Energy: 1.0049909362508942
Energy: 1.386352724766219
Energy: 1.3023509398818895
Energy: 1.1263987242444151
Energy: 1.3861226539747817
Energy: 1.0967874320417803
Energy: 1.010117666010487
Energy: 1.2872639470940486
Energy: 1.2871262295601824
Energy: 1.0114101875353108
Energy: 1.2757017587946482
Energy: 1.3016518223077145
Energy: 1.4584391184605023
Energy: 1.1717621594154273
Energy: 1.245397380193063
Energy: 1.3820111410258191
Energy: 1.0604345066357244
Energy: 1.2396509409639234
Energy: 1.26913824456329
Energy: 1.1436691310180442
Energy: 1.162093561269045
Energy: 1.2681331922202699
Energy: 1.172437791206261
Energy: 1.1406483848194287
Energy: 1.270047870644772
Energy: 1.210335773342007
Energy: 1.2109660444563874
Energy: 1.1708144463644983
Energy: 1.2149678935359496
Energy: 1.2061713983689195
Energy: 1.139880842159784
Energy: 1.1263237404041346
Energy: 1.1251898677259144
Energy: 1.1695620078658688
Energy: 1.1364239058481187
Energy: 1.0752838406119718
Energy: 1.030716172700014
Energy: 1.115661533458442
Energy: 1.1154380679764435
Energy: 1.0308542393300295
Energy: 1.119818486641331
Energy: 1.1153961497180545
Energy: 1.4445935348264638
Energy: 1.2035248125682274
Energy: 1.2096299860705153
Energy: 1.2094747640932197
Energy: 1.1424033013163106
Energy: 1.2085396158431623
Energy: 1.0505530329877033
Energy: 1.141348746247464
Energy: 1.191795743414917
Energy: 1.0507197797211552
Energy: 1.1412801135029182
Energy: 1.1674054339849327
Energy: 1.0575364864861867
Energy: 1.1865615307044726
Energy: 1.1837833472931978
Energy: 1.050774154341557
Energy: 1.1836408374716085
Energy: 1.1307555623817713
Energy: 1.5335293922357132
Energy: 1.1831690900950416
Energy: 1.1802967606119552
Energy: 1.22595259317692
Energy: 1.1916888792647728
Energy: 1.183618402832288
Energy: 1.135063780717085
Energy: 1.0494071003930288
Energy: 1.0493115742239285
Energy: 1.1336339096511074
Energy: 1.0539136844176882
Energy: 1.0492493820364361
Energy: 1.6769411583162184
Energy: 1.1311873083614177
Energy: 1.1317153079965112
Energy: 1.1976803175732835
Energy: 1.0494430276152182
Energy: 1.2062263558729747
Energy: 1.110025559026894
Energy: 1.2126666179391163
Energy: 1.2127029462511474
Energy: 1.1102587248152194
Energy: 1.215774804716111
Energy: 1.21488312006655
Energy: 1.1105748733731524
Energy: 1.1563418352169996
Energy: 1.1468892003387208
Energy: 1.1106511063555735
Energy: 1.1560965622111006
Energy: 1.1101844965234153
Energy: 1.4120682762794716
Energy: 1.1668527367649744
Energy: 1.1658743227608606
Energy: 1.2610622342597921
Energy: 1.1308712627067767
Energy: 1.1526287628377976
Energy: 1.0485919901372749
Energy: 1.261262698849564
Energy: 1.2609783314190999
Energy: 1.2280866931158114
Energy: 1.2649006970182173
Energy: 1.2609641242404326
Energy: 1.2486422634066692
Energy: 1.3728796582767455
Energy: 1.0855883321842452
Energy: 1.1700326549921996
Energy: 1.4440474711561737
Energy: 1.0861633199094098
Energy: 1.407795647848326
Energy: 1.274623673517962
Energy: 1.268968770519268
Energy: 1.2756963142218731
Energy: 1.2703525419217219
Energy: 1.2053019538788803
Energy: 1.4071198984655588
Energy: 1.154984587176572
Energy: 1.25276443721827
Energy: 1.4096071525125522
Energy: 1.1560343360473364
Energy: 1.2431454601462164
Energy: 1.500562917707146
Energy: 1.1863428473978987
Energy: 1.2511474007972339
Energy: 1.411722018376075
Energy: 1.140026201368231
Energy: 1.2677056096249522
Energy: 1.2857824579957506
Energy: 1.2529101405852632
Energy: 1.2531992182494895
Energy: 1.231226675785028
Energy: 1.3548997168092114
Energy: 1.2619552430910312

minimum gb energy = 1.0049909362508942 eV
minimum distance =  2.29338831794317 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.7654330624242482
Energy: 1.6830402208547945
Energy: 1.1005568903887333
Energy: 1.103485119501606
Energy: 1.6785452706300048
Energy: 1.09724686581977
Energy: 1.348848938653188
Energy: 1.1640232685090888
Energy: 1.1703467215598413
Energy: 1.1519913915399675
Energy: 1.158024721248442
Energy: 1.0719984956767985
Energy: 1.3490982242304623
Energy: 1.0673834189625875
Energy: 1.0717747415867291
Energy: 1.3511709604664541
Energy: 1.0643345098335437
Energy: 1.0747706073199492
Energy: 1.1584896255423305
Energy: 1.0651224036495794
Energy: 1.0688913065629715
Energy: 1.1585479386530546
Energy: 1.2782912685332417
Energy: 1.059791010882254
Energy: 1.1851645517962945
Energy: 1.0667571657227153
Energy: 1.0722366617387964
Energy: 1.171644564219339
Energy: 1.0887706465293348
Energy: 1.062778357575343
Energy: 1.6056347156042003
Energy: 1.0157628750404402
Energy: 0.9657314567606469
Energy: 1.0290259956123402
Energy: 1.014776169563325
Energy: 1.0657562613275757
Energy: 1.3119272135346773
Energy: 1.020485928873592
Energy: 1.014793208886423
Energy: 1.3135930038304648
Energy: 1.0213284557228968
Energy: 1.061623071075709
Energy: 1.2454577323008427
Energy: 1.024845170574393
Energy: 1.0419190136748862
Energy: 1.2459555892118686
Energy: 1.0247881128111522
Energy: 1.060261163558491
Energy: 0.9448281897776244
Energy: 1.0454042713662774
Energy: 0.9420795548729249
Energy: 0.9467530153333765
Energy: 1.0836753171892335
Energy: 0.9423061650311921
Energy: 0.9426450507917654
Energy: 1.0731669194068993
Energy: 1.0448685803177904
Energy: 0.9425182422715904
Energy: 1.1046438301837411
Energy: 1.041361432790469
Energy: 0.9153884991976329
Energy: 0.9095746637438598
Energy: 1.0353554696764338
Energy: 1.012411190516043
Energy: 0.9089453165675413
Energy: 1.0378486790736272
Energy: 0.9481486842539519
Energy: 0.9087787435022731
Energy: 0.9088146729588062
Energy: 0.9491317372848669
Energy: 0.914725817334575
Energy: 1.0197967721952987
Energy: 0.9154788554031769
Energy: 1.0908845418706774
Energy: 1.052043556173257
Energy: 0.9157854437351887
Energy: 1.0544816061913354
Energy: 1.0516807858321182
Energy: 0.9097270628552272
Energy: 1.0208486436715436
Energy: 0.9085983194758993
Energy: 0.9123952974821128
Energy: 1.2491705691017712
Energy: 0.9085580297400454
Energy: 0.9101154872366588
Energy: 1.0499499149582017
Energy: 1.0198375252164749
Energy: 0.9101478830108726
Energy: 1.0201772481837776
Energy: 1.0197736239714468
Energy: 1.0983431488474364
Energy: 0.9424057135006383
Energy: 1.04150896932647
Energy: 1.043816573351452
Energy: 0.9427114359310066
Energy: 1.039844683212977
Energy: 0.9632148931033904
Energy: 0.9424620854429556
Energy: 0.9423764421214903
Energy: 0.9640459767403317
Energy: 0.9507880825909173
Energy: 1.0019229359659143
Energy: 0.9116405182314201
Energy: 1.0079229227385247
Energy: 1.0507862156321728
Energy: 0.913133501904476
Energy: 1.0414062027984219
Energy: 1.0552076601646068
Energy: 1.0148807208067037
Energy: 1.0756338913609471
Energy: 1.0145960612226967
Energy: 1.0161788442517201
Energy: 1.3191827564945002
Energy: 1.0143850939566794
Energy: 1.2808564976284496
Energy: 1.048787378340121
Energy: 1.10586030936975
Energy: 1.281802224837495
Energy: 1.0483375150867675
Energy: 1.0753915603907993
Energy: 1.3241124328826253
Energy: 1.2013666253580537
Energy: 1.0686306241951413
Energy: 1.0888668350654684
Energy: 1.207455920202893
Energy: 1.070264325509996
Energy: 1.0034903016994459
Energy: 1.1518666573089458
Energy: 1.0147209795505316
Energy: 1.049658109920631
Energy: 1.1513888579896518
Energy: 1.0666424024351522
Energy: 1.1330034307153436
Energy: 1.1599715291858934
Energy: 1.1634004994911271
Energy: 1.133996260883877
Energy: 1.2371395877053057
Energy: 1.160227486286897
Energy: 1.2718940910896728
Energy: 1.0658698377726852
Energy: 1.0713808183146547
Energy: 1.2736846945469948
Energy: 1.1567876049927055
Energy: 1.0710627764914709
Energy: 1.356494227572202
Energy: 1.0791176430884715
Energy: 1.0144588649955921
Energy: 1.3554073384129892
Energy: 1.0781970886884724
Energy: 1.1513274772907935
Energy: 1.3484065056372696
Energy: 1.1525155784501084
Energy: 1.1592694843697495
Energy: 1.1597687389488847
Energy: 1.1587482015288204
Energy: 1.1520006283760589
Energy: 1.061943030938223
Energy: 1.2331009799990311
Energy: 1.0606636719744462
Energy: 1.0685250724939903
Energy: 1.3563477203733871
Energy: 1.0603695539653828

minimum gb energy = 0.9085580297400454 eV
minimum distance =  2.29139060468763 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.6472485262075873
Energy: 1.1627931669146032
Energy: 0.99378047036928
Energy: 0.8729800901869099
Energy: 1.063211221401421
Energy: 1.0063957166355715
Energy: 1.1626949316923851
Energy: 0.938692709448707
Energy: 0.934957413432936
Energy: 1.0163584061919366
Energy: 1.0201202433348149
Energy: 0.9140807091927793
Energy: 1.170341787820084
Energy: 0.8972267770299363
Energy: 0.9322370907768531
Energy: 1.172566445743093
Energy: 0.8958795116914999
Energy: 0.89927169382566
Energy: 1.019982976516744
Energy: 0.9223488548244554
Energy: 0.8985842554595892
Energy: 1.0193181907071582
Energy: 0.9781685716182646
Energy: 0.9468995062469427
Energy: 1.0279363494772757
Energy: 0.9090803879334803
Energy: 0.9354451642256721
Energy: 1.0275626803970388
Energy: 0.9126940194041715
Energy: 0.915513932223593
Energy: 0.8204711978777299
Energy: 0.9082644568464314
Energy: 0.8962418548722861
Energy: 0.8737590158789758
Energy: 0.9081982035166116
Energy: 0.8555984697131002
Energy: 1.1361345724710932
Energy: 0.908583034742737
Energy: 0.908840134301992
Energy: 1.0134103148484455
Energy: 0.9089385411769311
Energy: 1.0822654130236522
Energy: 1.079975575251437
Energy: 0.8614186922349967
Energy: 0.8822889020502208
Energy: 1.0827491923186812
Energy: 0.8615732575257471
Energy: 0.8817084145533161
Energy: 0.846328897089681
Energy: 0.8812453555568036
Energy: 0.8437504590032013
Energy: 0.8485081774320479
Energy: 1.076886407771937
Energy: 0.8440682077611926
Energy: 0.9433458309473359
Energy: 0.9036978637627625
Energy: 0.8993058414072082
Energy: 0.8440952202584466
Energy: 0.900447771307612
Energy: 0.8993290992448286
Energy: 0.7858078406798107
Energy: 0.8023384450215452
Energy: 0.8705393106177258
Energy: 0.8580654639400599
Energy: 0.8025573190715624
Energy: 0.8599049483653253
Energy: 1.06924517485653
Energy: 0.8024474796438062
Energy: 0.8023667971194023
Energy: 1.0715379959006992
Energy: 0.8023364659246608
Energy: 0.8821517011417034
Energy: 1.0475221976289828
Energy: 0.8496481202644866
Energy: 0.8778418577433414
Energy: 1.0500149990508445
Energy: 0.8497377324386187
Energy: 0.8557182783566207
Energy: 0.7776690572592685
Energy: 1.0571288333139484
Energy: 0.7776405932475715
Energy: 0.7798421583171856
Energy: 1.0579914589689543
Energy: 0.7775685249719602
Energy: 0.7775557137810089
Energy: 0.8518036426504867
Energy: 0.8623494541913973
Energy: 0.7774694726773171
Energy: 0.8502726140104617
Energy: 0.8580430496843672
Energy: 0.7688967710662988
Energy: 0.7661750314639741
Energy: 0.7655898912067084
Energy: 0.8493619449431435
Energy: 0.7662464738171121
Energy: 0.8515844799180641
Energy: 0.9174295391518681
Energy: 0.7660162022776711
Energy: 0.7664311304056752
Energy: 1.0520452246778598
Energy: 0.7661068583609596
Energy: 0.8574722882708627
Energy: 1.0397817992312668
Energy: 0.8770317730774475
Energy: 0.8765749234956932
Energy: 1.0346951640031852
Energy: 0.8958259797688901
Energy: 0.8761220636394366
Energy: 0.7660082752295886
Energy: 1.0510483771190167
Energy: 0.7659796560266212
Energy: 0.7680779754312138
Energy: 1.0558700832488563
Energy: 0.7660371868552373
Energy: 1.0395856496612825
Energy: 0.9087372006878471
Energy: 0.9079743392037746
Energy: 1.0421172107194172
Energy: 0.9090700800927543
Energy: 0.9074352176963842
Energy: 1.0620506714332492
Energy: 0.7776417696392909
Energy: 0.7775417736839536
Energy: 1.0577057560845418
Energy: 0.7775207229640336
Energy: 0.866456303783399
Energy: 0.7727272614535184
Energy: 0.7777794065197869
Energy: 0.7774380481925763
Energy: 0.8568109161985016
Energy: 0.7780678281769058
Energy: 0.855146551309786
Energy: 0.8021116136449075
Energy: 0.8557019137271678
Energy: 0.8559148425729239
Energy: 0.8021740446555886
Energy: 0.8563017888808476
Energy: 0.8561209660570643
Energy: 0.8023877833282812
Energy: 1.0691535889722896
Energy: 0.8023693888617349
Energy: 0.8047957399606804
Energy: 1.069691253326133
Energy: 0.802566405966174
Energy: 1.0596834261811037
Energy: 0.8557071473780494
Energy: 0.8712322238522417
Energy: 1.062214807974494
Energy: 0.8557564492321588
Energy: 0.8711860786470927
Energy: 1.0923391794614092
Energy: 0.8439913303076263
Energy: 0.84390484378211
Energy: 1.0948617028581458
Energy: 0.8440785999938987
Energy: 0.9010739452459321
Energy: 0.8031173754640746
Energy: 0.8436701523407434
Energy: 0.8800259794912553
Energy: 0.8649632605568126
Energy: 0.843412431432766
Energy: 0.8717494650202394
Energy: 0.9882019039999652
Energy: 0.8791977366835019
Energy: 0.9163255801498285
Energy: 0.9882107655471143
Energy: 0.9136924973006062
Energy: 0.9160392516033489
Energy: 0.9112857883485
Energy: 0.9019018781463478
Energy: 0.908501356176515
Energy: 0.9132018197577341
Energy: 1.0924200844397247
Energy: 0.9083510652970945
Energy: 1.1153952403015992
Energy: 0.8840689066760007
Energy: 0.9018064118979057
Energy: 1.1176289405647324
Energy: 0.8832662964401541
Energy: 0.9011772093155025
Energy: 1.1381867114457576
Energy: 0.9345338441838401
Energy: 0.9357189224079929
Energy: 0.9354030906509154
Energy: 1.054806766977874
Energy: 1.1413999210265298
Energy: 0.8478247116830019
Energy: 1.0163368449581172
Energy: 0.9085518077298503
Energy: 0.8895093438083581
Energy: 1.0162086544503286
Energy: 0.8820545291345722
Energy: 1.0504339741673598
Energy: 1.0169311020565739
Energy: 1.0163889005548918
Energy: 1.0505218966599452
Energy: 1.076612503883531
Energy: 1.0007720759362284
Energy: 1.1417506238467192
Energy: 0.9335563246090429
Energy: 0.9017414636078276
Energy: 1.1084182372831137
Energy: 1.0271375634048312
Energy: 1.016248857070882
Energy: 1.1658059736700255
Energy: 0.9195869886753754
Energy: 0.9440153344479469
Energy: 1.1681402464321116
Energy: 0.9148336877471865
Energy: 0.9437494990141205
Energy: 1.1217174940726438
Energy: 1.016711132106678
Energy: 1.0162548505671825
Energy: 1.0163089784840595
Energy: 1.075284399914941
Energy: 1.00044187294432

minimum gb energy = 0.7655898912067084 eV
minimum distance =  2.28219282779676 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.08149554975342009
Energy: 0.4014844299911634
Energy: 0.08218347758638121
Energy: 0.0843759911822627
Energy: 0.14620842146917956
Energy: 0.08215455105292098
Energy: 0.08261022333671185
Energy: 0.08252718663130056
Energy: 0.19979932917982193
Energy: 0.08272409139597355
Energy: 0.08389786986994163
Energy: 0.19963916766617004
Energy: 0.1376265798122178
Energy: 0.08237450994926741
Energy: 0.08226425544292192
Energy: 0.13751083035980438
Energy: 0.08209138943201388
Energy: 0.1387017389240692
Energy: 0.08276611900356716
Energy: 0.08224654589934471
Energy: 0.08231659398766848
Energy: 0.08522881122348876
Energy: 0.08223451266044612
Energy: 0.1398509352434623
Energy: 0.1388783251430741
Energy: 0.1374960157658694
Energy: 0.13737410253536142
Energy: 0.14052050529702761
Energy: 0.13759396464200907
Energy: 0.08301082537476365
Energy: 0.08335039354601749
Energy: 0.19960784452904962
Energy: 0.08235856420583608
Energy: 0.08176839338522213
Energy: 0.19968505261374206
Energy: 0.0821387153532649
Energy: 0.08254578745548442
Energy: 0.08266067296710487
Energy: 0.20072437636206153
Energy: 0.0822000664516786
Energy: 0.0828884756541924
Energy: 0.2007559854466909
Energy: 0.1373656264520688
Energy: 0.08210588545340576
Energy: 0.08228499894035146
Energy: 0.13742703639303563
Energy: 0.08195181691401814
Energy: 0.1392471020110775
Energy: 0.08371615722018155
Energy: 0.08255015744759574
Energy: 0.13864462243643091
Energy: 0.08405183578795554
Energy: 0.08229297015230752
Energy: 0.13807230461707914
Energy: 0.08200278575145391
Energy: 0.13749993519490125
Energy: 0.13743887905869367
Energy: 0.08203433311254839
Energy: 0.1373541418525144
Energy: 0.13727267892970693

minimum gb energy = 0.08149554975342009 eV
minimum distance =  2.46740004934588 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.0346855340169965
Energy: 0.9974927352964572
Energy: 1.060559442766794
Energy: 1.034847192619364
Energy: 1.0103479838660694
Energy: 1.0359560833949826
Energy: 1.0522317035285058
Energy: 1.0214570324883065
Energy: 1.0205592804424386
Energy: 1.0560243025303688
Energy: 1.0259248156418581
Energy: 1.0199432609128023
Energy: 1.0167908515667792
Energy: 0.9886415864323111
Energy: 0.9884062640438949
Energy: 1.0158753447138493
Energy: 0.9892165323892351
Energy: 1.01414275593314
Energy: 0.9529285557204408
Energy: 0.9884778015691077
Energy: 0.9881986796370447
Energy: 0.9524684321816288
Energy: 0.8608286501636503
Energy: 1.0138691737380756
Energy: 0.8787508328318303
Energy: 1.0138725363292151
Energy: 1.0212143781576994
Energy: 0.8786874320451228
Energy: 1.0256160064087674
Energy: 1.0198004353206649
Energy: 1.0003195551222466
Energy: 1.0203353978382441
Energy: 1.0178436158030266
Energy: 0.9722819036891673
Energy: 1.0200272494563392
Energy: 0.9718712820245947
Energy: 0.9893170626096254
Energy: 0.8856823258975073
Energy: 0.9649449551105186
Energy: 0.9896208606348907
Energy: 0.8892965116939768
Energy: 0.9640423727003874
Energy: 0.9612408893061319
Energy: 0.978119306358903
Energy: 0.9776412862627566
Energy: 0.9621444980180905
Energy: 0.9452459391691874
Energy: 0.9200377584195697
Energy: 0.9826933235652506
Energy: 0.9782613811750915
Energy: 0.9993748153441262
Energy: 1.003363517271315
Energy: 0.8269769548773162
Energy: 0.9993050747002439
Energy: 0.8328206563654017
Energy: 0.8873271547547572
Energy: 0.8870240490420663
Energy: 0.8310841563096341
Energy: 0.8907486929707742
Energy: 0.8863363225392769
Energy: 0.9777287006038946
Energy: 0.9860140034850786
Energy: 0.9853873890335417
Energy: 0.9508218579241171
Energy: 0.9562445301133647
Energy: 0.9499213357197973
Energy: 0.8330548950898005
Energy: 0.9883586429768701
Energy: 0.9858670753477621
Energy: 0.8307999588292598
Energy: 0.9707117458962811
Energy: 0.8301926416263826
Energy: 0.8257170839503432
Energy: 0.9321661566427542
Energy: 0.9529766148929292
Energy: 0.8261346200332591
Energy: 0.9319970560377213
Energy: 0.826334070848621
Energy: 0.9440629114191186
Energy: 0.7981197501600142
Energy: 0.9555586410925918
Energy: 0.9598931759412298
Energy: 0.7966273454813011
Energy: 0.9588721909038527
Energy: 0.967702353353435
Energy: 0.7888356309878313
Energy: 0.7892401974905549
Energy: 0.9683509072376554
Energy: 0.7887367767084225
Energy: 0.7890953145192922
Energy: 0.9660738973473854
Energy: 0.9354317325340098
Energy: 0.9395025864993438
Energy: 0.9339056728685718
Energy: 0.9439084534583231
Energy: 0.934784234145515
Energy: 0.7832983576638191
Energy: 0.9352358436180216
Energy: 0.9352705309925016
Energy: 0.779723276748384
Energy: 0.9351383042049102
Energy: 0.7778291492670051
Energy: 0.7828130948621255
Energy: 0.9304977919500407
Energy: 0.9292308383126849
Energy: 0.7827915076635867
Energy: 0.9311468063067364
Energy: 0.7705313316158663
Energy: 0.9652663901033246
Energy: 0.935786363359796
Energy: 0.945654839875325
Energy: 0.9314210902270532
Energy: 0.9559295406376837
Energy: 0.9454425956677008
Energy: 0.9570518031945604
Energy: 0.7740964596357389
Energy: 0.7736935496443226
Energy: 0.9494844089380442
Energy: 0.7815367218839844
Energy: 0.7743393900247216
Energy: 0.9400940210464908
Energy: 0.934721534220725
Energy: 0.9367225851375476
Energy: 0.9419163585043993
Energy: 0.9664330229772874
Energy: 0.9359042241307203
Energy: 0.8056362813850846
Energy: 0.9341105161826048
Energy: 0.8620878173387757
Energy: 0.8062675247055597
Energy: 0.9624559589003152
Energy: 0.7888821699991415
Energy: 0.7969152042643733
Energy: 0.9595693210585321
Energy: 0.9605118472500409
Energy: 0.7969085255672015
Energy: 0.9565085625940098
Energy: 0.9574733186270991
Energy: 0.9772654408986716
Energy: 0.8269157512934031
Energy: 0.8265349545418191
Energy: 0.9399718327599124
Energy: 0.8266728700047582
Energy: 0.9379865147819517
Energy: 0.8781985175414148
Energy: 0.830578177633801
Energy: 0.830430039182354
Energy: 0.8782719098995442
Energy: 0.8335461498245482
Energy: 0.8305029729052272
Energy: 0.9554030620933928
Energy: 0.9635958400890863
Energy: 0.9632403030690936
Energy: 0.9554146307996851
Energy: 0.935328685012535
Energy: 0.984810241790178
Energy: 0.8897504782226767
Energy: 0.9631726124684028
Energy: 0.9632816675407669
Energy: 0.8893761999689531
Energy: 0.8877370207180743
Energy: 0.8887650856534105
Energy: 0.8502436745231882
Energy: 1.0019485291324919
Energy: 0.9994250106761313
Energy: 0.8502500100763793
Energy: 1.0076981582944318
Energy: 0.9987800712143543
Energy: 0.960698787291621
Energy: 0.9541296729939769
Energy: 0.9599659332091378
Energy: 0.9596122809198655
Energy: 0.9498596447163431
Energy: 0.9593044461408615
Energy: 0.8875193607209805
Energy: 0.9589541463627421
Energy: 0.9580999187302971
Energy: 0.8849295839758701
Energy: 0.9640666694912207
Energy: 1.035593579530981
Energy: 0.9611170969433533
Energy: 0.9904613154907058
Energy: 0.9902145833111938
Energy: 0.9610730516169227
Energy: 0.9513193096064657
Energy: 0.9899725120816061
Energy: 1.0531198366289305
Energy: 0.9904407954329368
Energy: 0.9964979245178924
Energy: 1.0221147584906394
Energy: 0.8450680748140478
Energy: 1.019845917463918
Energy: 0.9046245221887439
Energy: 0.9503359600447392
Energy: 0.9500871803558001
Energy: 0.9050513007134533
Energy: 0.9516232979745628
Energy: 0.9760192882835302

minimum gb energy = 0.7705313316158663 eV
minimum distance =  2.29684742486106 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.2790788499330645
Energy: 1.2523022681089122
Energy: 1.277561591221499
Energy: 1.2030861287790482
Energy: 1.254358898561149
Energy: 1.2877809128937179
Energy: 1.245074379484648
Energy: 1.1997676432016533
Energy: 1.1983005393897042
Energy: 1.2450568570146963
Energy: 1.2039635269305249
Energy: 1.2259682199534296
Energy: 1.281189683665824
Energy: 1.1700204719579055
Energy: 1.1932493254447647
Energy: 1.1988193044047641
Energy: 1.171144457758073
Energy: 1.194085844648063
Energy: 1.1559974085186615
Energy: 1.192709845370448
Energy: 1.192587963025234
Energy: 1.1574267946002343
Energy: 1.1001228293037533
Energy: 1.1933997338290296
Energy: 1.1097043273802987
Energy: 1.1991811943401465
Energy: 1.2267054379468652
Energy: 1.109723176642631
Energy: 1.2029503407220385
Energy: 1.2249572963275064
Energy: 1.2370671401760334
Energy: 1.1985451684551132
Energy: 1.1742966034425717
Energy: 1.1723664691942322
Energy: 1.198635421376712
Energy: 1.1727376787666839
Energy: 1.1111333705936468
Energy: 1.144940644410821
Energy: 1.111717915818236
Energy: 1.111195683037766
Energy: 1.1164982000073584
Energy: 1.136977792841866
Energy: 1.1596749543036746
Energy: 1.1643377397086283
Energy: 1.169432168773562
Energy: 1.160497359353554
Energy: 1.1640243818944525
Energy: 1.1092636598248968
Energy: 1.153832005170997
Energy: 1.197311108525114
Energy: 1.1960377272255749
Energy: 1.1992181327024694
Energy: 1.0148511278762173
Energy: 1.204004756407747
Energy: 0.9705022498215627
Energy: 1.0235293748178473
Energy: 1.0224595559817082
Energy: 0.9708151269118281
Energy: 1.0234503120951464
Energy: 1.0157248598641129
Energy: 1.0828887987404354
Energy: 1.1583441343768786
Energy: 1.180097207408638
Energy: 1.1666666408637585
Energy: 1.1463404237816581
Energy: 1.1706288284994628
Energy: 0.9716162123218351
Energy: 1.1578996231971548
Energy: 1.1551564371677703
Energy: 0.9711288729663046
Energy: 1.1575472876847455
Energy: 0.9709814706234896
Energy: 0.978028440439665
Energy: 1.1525584257628705
Energy: 1.1504229264302153
Energy: 0.9769074768356825
Energy: 1.1501364055033112
Energy: 0.9755979169749777
Energy: 1.1528515147279477
Energy: 1.0886371031721063
Energy: 1.1503825180289857
Energy: 1.1489419361732953
Energy: 1.170840791417666
Energy: 1.1497275240370224
Energy: 1.1556168474937139
Energy: 0.9830188033075143
Energy: 0.9773772066157888
Energy: 1.1569282846412696
Energy: 0.9795232165460431
Energy: 0.9731600832242909
Energy: 1.137183399446727
Energy: 1.155384973631174
Energy: 1.1618407709136978
Energy: 1.1623891085584537
Energy: 1.080764134299857
Energy: 1.1581744007777115
Energy: 1.0374488835049418
Energy: 1.1581423436345128
Energy: 1.1538413292894614
Energy: 1.0387246980307667
Energy: 1.1507650478243743
Energy: 1.0213651795626135
Energy: 1.0159592624493379
Energy: 1.1960313043747615
Energy: 1.1983436964188432
Energy: 1.0160032066945228
Energy: 1.1690287472176477
Energy: 1.1227321668713495
Energy: 1.195012541848901
Energy: 1.1573365142590453
Energy: 1.1649420632092873
Energy: 1.1773583932685505
Energy: 1.1558859929749772
Energy: 1.1738231417849625
Energy: 1.0142767868516187
Energy: 1.1186311599900791
Energy: 1.1383226640736261
Energy: 1.115006982062376
Energy: 1.1140751822613517
Energy: 1.137385573801759
Energy: 1.1182849847627445
Energy: 1.2229144305313433
Energy: 1.222004815168266
Energy: 1.118317944245387
Energy: 0.9825506339650757
Energy: 1.167283236951821
Energy: 1.280957404528865
Energy: 1.1669781818463458
Energy: 1.1690367956072512
Energy: 1.1978917196895456
Energy: 1.170009268449199
Energy: 1.1705098336369966
Energy: 1.1657354164420641
Energy: 1.1162017237979913
Energy: 1.1995453757846195
Energy: 1.1657470849624954
Energy: 1.1144360381720482
Energy: 1.225777461583886

minimum gb energy = 0.9705022498215627 eV
minimum distance =  2.2920046618675 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.869019269390501
Energy: 1.4238700251359555
Energy: 1.399711764675247
Energy: 1.394370032128004
Energy: 1.4930866533973497
Energy: 1.3973357898085865
Energy: 1.3143577419120087
Energy: 1.309367554769151
Energy: 1.3092278000104116
Energy: 1.3751470211704362
Energy: 1.3141438631913651
Energy: 1.343950258909932
Energy: 1.3928176335387863
Energy: 1.3393213776743775
Energy: 1.339340250501719
Energy: 1.393295604995409
Energy: 1.3405307493740561
Energy: 1.3396685215771094
Energy: 1.2117126728328846
Energy: 1.3402909368615545
Energy: 1.3404181940652367
Energy: 1.2116720681523083
Energy: 1.1936428816305729
Energy: 1.3406476335985529
Energy: 1.1967669007925883
Energy: 1.309336225610595
Energy: 1.346962167940103
Energy: 1.1967922655168644
Energy: 1.3126802037897385
Energy: 1.343966310968983
Energy: 1.2104535784709676
Energy: 1.3720217566113602
Energy: 1.3440471193786616
Energy: 1.3233537816906404
Energy: 1.372551266298893
Energy: 1.3238011041174353
Energy: 1.1972892195314777
Energy: 1.3488245451541534
Energy: 1.3475344824917685
Energy: 1.1971543876051702
Energy: 1.346614770351757
Energy: 1.2318914180650808
Energy: 1.2111956194089843
Energy: 1.3102486352350724
Energy: 1.3100240544934172
Energy: 1.2113803572514081
Energy: 1.3111798184960224
Energy: 1.2442101974312678
Energy: 1.2773705150945833
Energy: 1.3113009273431544
Energy: 1.3129209779358937
Energy: 1.3045010734569786
Energy: 1.099445239822064
Energy: 1.3078283077094677
Energy: 1.2854565063283723
Energy: 1.0995546856726452
Energy: 1.0994306212102831
Energy: 1.2868663586372688
Energy: 1.1010368114978504
Energy: 1.0990278983762292
Energy: 1.1976970963971276
Energy: 1.2144179627024352
Energy: 1.281821050869448
Energy: 1.2809554237398109
Energy: 1.1911673501224125
Energy: 1.2835739054952806
Energy: 1.0986646916668716
Energy: 1.2846387476414078
Energy: 1.2845742689915
Energy: 1.0976568672713343
Energy: 1.2707240243023252
Energy: 1.0983340337061507
Energy: 1.097374732644186
Energy: 1.3042321907370316
Energy: 1.3056497439805457
Energy: 1.0973472011284369
Energy: 1.280681213160368
Energy: 1.0978080513748114
Energy: 1.0763479868843933
Energy: 1.3201901260657785
Energy: 1.3029805467022608
Energy: 1.287922309654336
Energy: 1.3374393580676438
Energy: 1.291451247516305
Energy: 1.180839432023802
Energy: 1.1969539060470458
Energy: 1.2357076466585966
Energy: 1.1808948392464578
Energy: 1.1998215443776123
Energy: 1.232643028767237
Energy: 1.2047207898135772
Energy: 1.3318455475150237
Energy: 1.331622999942827
Energy: 1.232059767405919
Energy: 1.1244940073967074
Energy: 1.2347788385960845
Energy: 1.3928675783769058
Energy: 1.3308432786681286
Energy: 1.3308765646822158
Energy: 1.3264569649184808
Energy: 1.3526534022007526
Energy: 1.3303954257806452
Energy: 1.3753002847041909
Energy: 1.3094925055713065
Energy: 1.3090812624754038
Energy: 1.3752299319953363
Energy: 1.311154247682312
Energy: 1.3261958382000072
Energy: 1.3437257816149557
Energy: 1.3276468701267288
Energy: 1.3488636700276757
Energy: 1.3547579832449947
Energy: 1.3275708625447586
Energy: 1.3157557743790904
Energy: 1.2641427883287093
Energy: 1.3092143715426046
Energy: 1.3091791173709884
Energy: 1.2642552732621808
Energy: 1.3136358163281374
Energy: 1.3094566619358035
Energy: 1.3929074654141893
Energy: 1.3407489706346771
Energy: 1.3403686004394115
Energy: 1.394205506960126
Energy: 1.3208764731217373
Energy: 1.3409386585006904
Energy: 1.3290575866717522
Energy: 1.3395493610832474
Energy: 1.3396336566735618
Energy: 1.3276817453591887
Energy: 1.340504833620551
Energy: 1.3396991183444071
Energy: 1.1970834282211233
Energy: 1.3095469886819384
Energy: 1.3472722487196573
Energy: 1.1971971346802937
Energy: 1.3140488798647014
Energy: 1.344165950959072
Energy: 1.0982100600626064
Energy: 1.3730449737437904
Energy: 1.3447274300681649
Energy: 1.3244286303870199
Energy: 1.3717750803025324
Energy: 1.2973125745938903
Energy: 1.1971706510792686
Energy: 1.349026632865525
Energy: 1.3473253962062735
Energy: 1.1972181941458067
Energy: 1.3464400362506717
Energy: 1.3479086579928605
Energy: 1.211813954579172
Energy: 1.3104620268751752
Energy: 1.3107449036515086
Energy: 1.2135709872212015
Energy: 1.3107813129653336
Energy: 1.2332145209093996
Energy: 1.2828900965687438
Energy: 1.3102250341119512
Energy: 1.3102907215453166
Energy: 1.285430221696772
Energy: 1.0992914237159257
Energy: 1.3209016654805175
Energy: 1.2826655788519212
Energy: 1.0995278050968176
Energy: 1.099431563787764
Energy: 1.2846461654190249
Energy: 1.1019552855621824
Energy: 1.0986418046118744
Energy: 1.1961541970474974
Energy: 1.1908766043455468
Energy: 1.28312347114388
Energy: 1.2834351863095164
Energy: 1.191366898948706
Energy: 1.284085010729636
Energy: 1.0972389728672127
Energy: 1.2821689312944995
Energy: 1.2822713509626056
Energy: 1.0972287983222064
Energy: 1.2722353128311032
Energy: 1.098385335673575
Energy: 1.0995139584581104
Energy: 1.3033233543907372
Energy: 1.215098851104287
Energy: 1.0980105878064392
Energy: 1.2810146259311121
Energy: 1.0982724381531246
Energy: 1.0697226182489736
Energy: 1.310222950021379
Energy: 1.321949567124717
Energy: 1.2838138632557594
Energy: 1.3382011176027537
Energy: 1.290196795188643
Energy: 1.0706839500816114
Energy: 1.1981848509907167
Energy: 1.2323756891232627
Energy: 1.0706892330407
Energy: 1.2136987891472482
Energy: 1.2328531767130646
Energy: 1.2110639929591729
Energy: 1.247345347739463
Energy: 1.2318420703480761
Energy: 1.232493383502779
Energy: 1.1243544572144835
Energy: 1.2355877469581138
Energy: 1.385431616535749
Energy: 1.3531926605047762
Energy: 1.3522139760226313
Energy: 1.3876149090053567
Energy: 1.2865094399884789
Energy: 1.317288067721563
Energy: 1.3753862925371645
Energy: 1.309218292947232
Energy: 1.312098449073487
Energy: 1.375548075326373
Energy: 1.3101266092374542
Energy: 1.3439292972667096
Energy: 1.3433713494922257
Energy: 1.3261586142514998
Energy: 1.3457413390200796
Energy: 1.354175653097037
Energy: 1.3274671973141916
Energy: 1.315733252733051

minimum gb energy = 1.0697226182489736 eV
minimum distance =  2.2922524627538 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.7365445365041179
Energy: 1.467228198872421
Energy: 1.5604625960942036
Energy: 1.738942437224244
Energy: 1.996021732140815
Energy: 1.5601424551703498
Energy: 1.4815251707591548
Energy: 1.421734015606633
Energy: 1.4207063920509917
Energy: 1.4847810756636053
Energy: 1.5347690533398752
Energy: 1.4207752027684168
Energy: 1.5309329645680931
Energy: 1.471011355949412
Energy: 1.4709294054956858
Energy: 1.423026203479005
Energy: 1.47108623087205
Energy: 1.4170022228666077
Energy: 1.4282057186066264
Energy: 1.4704633820684097
Energy: 1.4705837810091553
Energy: 1.4287488652649918
Energy: 1.276294539345459
Energy: 1.4213425763413132
Energy: 1.2788417626390902
Energy: 1.4226642194751054
Energy: 1.421328111710967
Energy: 1.2788148400435222
Energy: 1.424030766810033
Energy: 1.47874443422982
Energy: 1.4649500308956396
Energy: 1.4783609410808116
Energy: 1.476322381847573
Energy: 1.4657446233716214
Energy: 1.4870241497307262
Energy: 1.476955999798775
Energy: 1.2777806334523014
Energy: 1.478352200988343
Energy: 1.4747646063579403
Energy: 1.2778146758398452
Energy: 1.477111803499842
Energy: 1.2798945453152537
Energy: 1.2815259788968718
Energy: 1.4530776558760141
Energy: 1.3386420503544176
Energy: 1.2825535402159887
Energy: 1.450560412646214
Energy: 1.27908477304017
Energy: 1.4446627232373395
Energy: 1.4587103921980602
Energy: 1.4523192518588042
Energy: 1.4520385077050302
Energy: 1.33727381831176
Energy: 1.4509945027866553
Energy: 1.3612387286297303
Energy: 1.2798615285174562
Energy: 1.2791540583533172
Energy: 1.354619086732275
Energy: 1.281048515329986
Energy: 1.3376956100394959
Energy: 1.4687119031877587
Energy: 1.2792904868681163
Energy: 1.4762840474677066
Energy: 1.4746424910417442
Energy: 1.214516695282207
Energy: 1.4775009919954376
Energy: 1.4588903101940671
Energy: 1.447164221452858
Energy: 1.4470148001115628
Energy: 1.4594967757087844
Energy: 1.4468889923193988
Energy: 1.3986399180368396
Energy: 1.486133262962146
Energy: 1.4197453174972885
Energy: 1.4209588864901357
Energy: 1.4813178701923686
Energy: 1.420810478576656
Energy: 1.4226904379260357
Energy: 1.477250238648949
Energy: 1.421830128072494
Energy: 1.4845077488334957
Energy: 1.4772815170118476
Energy: 1.422239220765974
Energy: 1.4818885657278116

minimum gb energy = 1.214516695282207 eV
minimum distance =  2.31996770388645 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.143229196098017
Energy: 1.634704704176462
Energy: 1.7326580733776906
Energy: 1.6358878188159727
Energy: 1.6764279825782136
Energy: 1.7859261285789285
Energy: 1.7114818741032076
Energy: 1.4074110367497688
Energy: 1.407466570167717
Energy: 1.711801095826753
Energy: 1.4414163369810444
Energy: 1.4083724941389713
Energy: 1.7029458829773003
Energy: 1.5522733989577988
Energy: 1.5011144117452893
Energy: 1.7028893451768887
Energy: 1.5175549248548523
Energy: 1.5047773501092812
Energy: 1.548115715765961
Energy: 1.5572583162777849
Energy: 1.5656595797607131
Energy: 1.5490280745405745
Energy: 1.3789323351888711
Energy: 1.5664219505654156
Energy: 1.50315457314787
Energy: 1.406758740751466
Energy: 1.4065472675991306
Energy: 1.5034564478226125
Energy: 1.4067438170230981
Energy: 1.4071274490750048
Energy: 1.677523554486637
Energy: 1.4391931254780908
Energy: 1.5262751708722995
Energy: 1.5069540179264094
Energy: 1.4392978799159695
Energy: 1.570954223127947
Energy: 1.4392538960454437
Energy: 1.5498654469261757
Energy: 1.5235968175022716
Energy: 1.4393182791115038
Energy: 1.5294167877400244
Energy: 1.5227461110954867
Energy: 1.4413961390111354
Energy: 1.527989512909978
Energy: 1.4086027990277796
Energy: 1.4416066596239374
Energy: 1.5041995795095258
Energy: 1.4063106897369746
Energy: 1.4161734261332326
Energy: 1.5052441628527027
Energy: 1.5043851754639503
Energy: 1.3969677088282129
Energy: 1.6309504580419936
Energy: 1.5464147161522612
Energy: 1.4157826437039134
Energy: 1.5051872100429766
Energy: 1.5047495844588523
Energy: 1.4161684201836104
Energy: 1.504409301910661
Energy: 1.5363702876267353
Energy: 1.44156314910163
Energy: 1.5259025526008165
Energy: 1.4585363670790616
Energy: 1.4413747128673264
Energy: 1.4422528602698481
Energy: 1.4081997520414828
Energy: 1.420573364547589
Energy: 1.5216753065438295
Energy: 1.5029011838122404
Energy: 1.4217409433868473
Energy: 1.517305220349477
Energy: 1.503685597670306
Energy: 1.4061941867375423
Energy: 1.5036107333053592
Energy: 1.5043060797715944
Energy: 1.4063260663920798
Energy: 1.665361344281877
Energy: 1.4587882028782193
Energy: 1.4682497181654117
Energy: 1.50458225865405
Energy: 1.504664570235693
Energy: 1.511553686651625
Energy: 1.7635487518385213
Energy: 1.5044512416049634
Energy: 1.3827189663864607
Energy: 1.524992184275266
Energy: 1.5251982901050256
Energy: 1.3827576155285513
Energy: 1.5055695775506766
Energy: 1.5475108107695894
Energy: 1.383676133425519
Energy: 1.5301995713296164
Energy: 1.3815501501170453
Energy: 1.385030721335869
Energy: 1.5477243684993551
Energy: 1.3812480476096747
Energy: 1.3811796402896606
Energy: 1.5597158682756342
Energy: 1.5624670944855978
Energy: 1.3811937248919985
Energy: 1.545594820498783
Energy: 1.5719261258117072
Energy: 1.7428015996237916
Energy: 1.5663520698233848
Energy: 1.5377513012945696
Energy: 1.603570392586332
Energy: 1.5675220644470627
Energy: 1.4829032245493783
Energy: 1.4437708723693026
Energy: 1.4449937788484357
Energy: 1.4445951325611328
Energy: 1.4438643639002569
Energy: 1.5672640366288542
Energy: 1.4925335328085299
Energy: 1.524793198912872
Energy: 1.5879427137863218
Energy: 1.533485837680233
Energy: 1.5266381856296865
Energy: 1.5578016400553605
Energy: 1.4703107952560106
Energy: 1.569581019135644
Energy: 1.5956561970968035
Energy: 1.4652699014465704
Energy: 1.5715672612816851
Energy: 1.3811957943650672
Energy: 1.505983293609018
Energy: 1.439607620372851
Energy: 1.4453318563839062
Energy: 1.4450694193692295
Energy: 1.4050276123279903
Energy: 1.4889129854330827
Energy: 1.4458485590468375
Energy: 1.496610252885112
Energy: 1.5344761578683144
Energy: 1.5009310494315138
Energy: 1.5495190053131636
Energy: 1.5270265899403292
Energy: 1.5004056291354442
Energy: 1.5667803895187467
Energy: 1.4447464221286457
Energy: 1.5202969602316556
Energy: 1.5666632512727097
Energy: 1.444245033920398
Energy: 1.4625669798625671
Energy: 1.5673473775233884
Energy: 1.5492633394728883
Energy: 1.5280241768397478
Energy: 1.5689571660577593
Energy: 1.6543540149320288
Energy: 1.5284952599438746
Energy: 1.5733541227725898
Energy: 1.3805921313690754
Energy: 1.5617509041555964
Energy: 1.542593643244624
Energy: 1.3815391604078644
Energy: 1.5800975804996127
Energy: 1.550315941642631
Energy: 1.381958831438112
Energy: 1.3812240116209882
Energy: 1.5496136490547316
Energy: 1.3823841912872292
Energy: 1.3812486449454597
Energy: 1.5475361432824044
Energy: 1.381674267709917
Energy: 1.5488674806725777
Energy: 1.5246564786129948
Energy: 1.3833382653457293
Energy: 1.5478199325863573
Energy: 1.770372188462111
Energy: 1.5130677918021112
Energy: 1.492755982561049
Energy: 1.7114086158651083
Energy: 1.5138295619650397
Energy: 1.4931378216761695
Energy: 1.7113282312742004
Energy: 1.406145521711285
Energy: 1.4592077581963279
Energy: 1.712954678608521
Energy: 1.4060318305949304
Energy: 1.5449042345204265
Energy: 2.1471199017813016
Energy: 1.4218788257751052
Energy: 1.46996350083409
Energy: 1.5634879998928835
Energy: 1.4225873283045636
Energy: 1.469444838595968

minimum gb energy = 1.3789323351888711 eV
minimum distance =  2.30956945684744 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.935781279213228
Energy: 2.122712377866935
Energy: 1.6952173781289595
Energy: 1.9392800198004647
Energy: 2.1308097985392105
Energy: 1.698982503497932
Energy: 1.5473474905750206
Energy: 1.4153519141500637
Energy: 1.3856259100711963
Energy: 1.5476949412895322
Energy: 1.5516494322441072
Energy: 1.403646117218879
Energy: 1.522390097041981
Energy: 1.3995125267691424
Energy: 1.3772890323022897
Energy: 1.5131096966276016
Energy: 1.4085354156892549
Energy: 1.3847425116674426
Energy: 1.5117605769631144
Energy: 1.4038977023298311
Energy: 1.3800825730200437
Energy: 1.5137459198927958
Energy: 1.4067512055892992
Energy: 1.381159866104353
Energy: 1.412795581669802
Energy: 1.3810649003881619
Energy: 1.3817247611693062
Energy: 1.4129917073263007
Energy: 1.379659810904533
Energy: 1.3793976556902852
Energy: 1.4612703249850119
Energy: 1.4016850127819902
Energy: 1.4012850555295429
Energy: 1.4156018642465937
Energy: 1.5121822072364135
Energy: 1.4143935733995774
Energy: 1.5130802696371457
Energy: 1.4463857268223304
Energy: 1.4469755072283268
Energy: 1.5150133802825765
Energy: 1.450187608409312
Energy: 1.4009605886693277
Energy: 1.54756754211368
Energy: 1.4047406850856765
Energy: 1.3833946725526858
Energy: 1.5495394498405288
Energy: 1.4138000401768216
Energy: 1.381828303891823
Energy: 1.3461012042558904
Energy: 1.3792144502485126
Energy: 1.3479271557098806
Energy: 1.3520992886709287
Energy: 1.5136648874738499
Energy: 1.3471166558586491
Energy: 1.3461465189875823
Energy: 1.3791528826437767
Energy: 1.3477715307468432
Energy: 1.4277119572447
Energy: 1.5191022711655873
Energy: 1.3468692251075531
Energy: 1.5476162750111153
Energy: 1.4037733892883457
Energy: 1.40454319554487
Energy: 1.5495534557655732
Energy: 1.4136447007450137
Energy: 1.3824255276120967
Energy: 1.5066009856211249
Energy: 1.576749375977046
Energy: 1.5779795634907656
Energy: 1.5078336396587118
Energy: 1.6930321048692771
Energy: 1.3795144602093623
Energy: 1.4128066778826034
Energy: 1.4149153572223956
Energy: 1.4150214739810905
Energy: 1.4147321639206076
Energy: 1.4163518492580423
Energy: 1.5325820077340029
Energy: 1.6990988024037286
Energy: 1.3810620067846808
Energy: 1.3793955323967029
Energy: 1.4154927288044312
Energy: 1.516362610328826
Energy: 1.3796595218050964
Energy: 1.5120519841788043
Energy: 1.447235961715013
Energy: 1.3830557262167005
Energy: 1.5121963315216587
Energy: 1.448167015967019
Energy: 1.3811747850376348
Energy: 1.5218399267223064
Energy: 1.4471690011086589
Energy: 1.4273721688808543
Energy: 1.5220914477848253
Energy: 1.4474837410681192
Energy: 1.3849817158974045
Energy: 1.3455958364900553
Energy: 1.4137917385494092
Energy: 1.4146713220141902
Energy: 1.345711217065587
Energy: 1.4158542553541227
Energy: 1.4143665380355392

minimum gb energy = 1.3455958364900553 eV
minimum distance =  2.3150354973646 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.261081253845111
Energy: 1.5907317562060144
Energy: 1.668440273510322
Energy: 1.5377161945172706
Energy: 1.5470246584156193
Energy: 1.5294239628148822
Energy: 1.679591949614508
Energy: 1.5203954950977911
Energy: 1.4882298894276305
Energy: 1.5768506348163538
Energy: 1.5370346372342396
Energy: 1.4997138084854609
Energy: 1.5428209839743185
Energy: 1.6317486032597397
Energy: 1.5015252717724143
Energy: 1.544244019585063
Energy: 1.5253766412041638
Energy: 1.605551331160431
Energy: 1.4847207764186605
Energy: 1.5078339090708364
Energy: 1.4863137492623415
Energy: 1.484463766142471
Energy: 1.499373499897231
Energy: 1.5059967552231452
Energy: 1.5394190105927694
Energy: 1.4585558363511881
Energy: 1.4984437842389056
Energy: 1.5394168931610368
Energy: 1.5198132931203352
Energy: 1.510390711315686
Energy: 1.4786944132564874
Energy: 1.4718396625884456
Energy: 1.4672728427102075
Energy: 1.4805958240743635
Energy: 1.5169895670691862
Energy: 1.4666766796723008
Energy: 1.4934763637940118
Energy: 1.576941879577955
Energy: 1.5308718931867953
Energy: 1.4942864482048621
Energy: 1.5046889736701805
Energy: 1.5265355643184992
Energy: 1.5717663713914178
Energy: 1.4630594973717883
Energy: 1.4723428845806898
Energy: 1.573224566123942
Energy: 1.4650587752461022
Energy: 1.4741843999234576
Energy: 1.6802450840742547
Energy: 1.544030225539955
Energy: 1.5146540764366638
Energy: 1.5283068578452421
Energy: 1.5600988137613394
Energy: 1.51094137636465
Energy: 1.5940750012868494
Energy: 1.5133129395501441
Energy: 1.5146771372705765
Energy: 1.552235698748511
Energy: 1.4948175130895218
Energy: 1.498439143484743
Energy: 1.5721592774886262
Energy: 1.4676999131383055
Energy: 1.4677647712779485
Energy: 1.5739820980842019
Energy: 1.4667607075682494
Energy: 1.4779904077487946
Energy: 1.5350982693910706
Energy: 1.4883680544745477
Energy: 1.502516253025151
Energy: 1.5366175007480476
Energy: 1.5159852191894885
Energy: 1.509965606697503
Energy: 1.753029740329783
Energy: 1.5648456037558789
Energy: 1.604176253258348
Energy: 1.4816560359584907
Energy: 1.5686344036418585
Energy: 1.6839503812363559
Energy: 1.6035458147461508
Energy: 1.5066187984222925
Energy: 1.5068715744784689
Energy: 1.6039494194632928
Energy: 1.5546372762441285
Energy: 1.4856424162904733
Energy: 1.5341409428986628
Energy: 1.4636522611103213
Energy: 1.4637201413691632
Energy: 1.5349215519823736
Energy: 1.5258122519767223
Energy: 1.5185846723488314
Energy: 1.514981069736815
Energy: 1.4929660791142745
Energy: 1.5140124651020244
Energy: 1.5146923980148639
Energy: 1.562390230039811
Energy: 1.513306989634295
Energy: 1.5049574212531036
Energy: 1.5018911125750696
Energy: 1.4860374019673415
Energy: 1.5055702689154569
Energy: 1.5343463128078203
Energy: 1.486077997972435
Energy: 1.6495511538594683
Energy: 1.5972440219036346
Energy: 1.612841386040344
Energy: 1.6514442340585367
Energy: 1.5891214536996383
Energy: 1.614537538824348
Energy: 1.5090777515222475
Energy: 1.4880100199674122
Energy: 1.5011853359595344
Energy: 1.5091324619872517
Energy: 1.5696879525530392
Energy: 1.4981596518681455
Energy: 1.5052148308044357
Energy: 1.4879060652292775
Energy: 1.4870131990027737
Energy: 1.5053284410789702
Energy: 1.5245506324028906
Energy: 1.5031534248072762
Energy: 1.5329196462992007
Energy: 1.5223660577180755
Energy: 1.5187723974771008
Energy: 1.4691556228352787
Energy: 1.5194397869361906
Energy: 1.5060107891217678

minimum gb energy = 1.4585558363511881 eV
minimum distance =  2.28147225656708 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.5920172901783982
Energy: 1.635616900643381
Energy: 1.5812612470382676
Energy: 1.583318233405398
Energy: 2.157825827616979
Energy: 1.584046879855314
Energy: 1.6710448256012738
Energy: 1.616790053648845
Energy: 1.4872697892573927
Energy: 1.6650777620440538
Energy: 1.6182561139461298
Energy: 1.4889239537581513
Energy: 1.5284876511291565
Energy: 1.4860987455204626
Energy: 1.4751602766193543
Energy: 1.528163649548148
Energy: 1.4457883025771716
Energy: 1.4742701580189708
Energy: 1.522413327092593
Energy: 1.49091221108909
Energy: 1.4854328476719307
Energy: 1.524000388772485
Energy: 1.5891425209822216
Energy: 1.4942238918889637
Energy: 1.4960178259656907
Energy: 1.5342333774948593
Energy: 1.4909026641820011
Energy: 1.4976114819444937
Energy: 1.524285319860068
Energy: 1.4850857959477068
Energy: 1.51185347967242
Energy: 1.4875660370089903
Energy: 1.48429555703139
Energy: 1.5136728473121073
Energy: 1.5170224984349638
Energy: 1.4840107324856096
Energy: 1.5274466121015704
Energy: 1.4054995160983141
Energy: 1.4231207659396994
Energy: 1.528365472175986
Energy: 1.381790673680546
Energy: 1.4201094405103873
Energy: 1.5258287271839988
Energy: 1.4800525390630073
Energy: 1.5308642712528837
Energy: 1.5260703324433735
Energy: 1.4528240361549107
Energy: 1.531827909461213
Energy: 1.6858027326740848
Energy: 1.4848072111083508
Energy: 1.4792588643683637
Energy: 1.4942979329391595
Energy: 1.5103334746869512
Energy: 1.4955522114362585
Energy: 1.67968272538869
Energy: 1.5121330551331917
Energy: 1.5183791424750024
Energy: 1.4963892472715024
Energy: 1.5161498632244108
Energy: 1.5166793679008341
Energy: 1.5259607067269083
Energy: 1.5314826057774875
Energy: 1.5324233074762408
Energy: 1.5253957287428743
Energy: 1.5074952852835
Energy: 1.5323270049704
Energy: 1.5403287245469175
Energy: 1.5052941475169526
Energy: 1.5099051708927247
Energy: 1.5418249248023475
Energy: 1.5350691965359158
Energy: 1.5088956841709305
Energy: 1.3778217528909122
Energy: 1.5604970782423022
Energy: 1.4174870454656077
Energy: 1.378855036555059
Energy: 1.5636424153606203
Energy: 1.417093425769728
Energy: 1.4761230158827352
Energy: 1.5843853604116793
Energy: 1.5861410919674868
Energy: 1.4071672622379983
Energy: 1.5583911170973597
Energy: 1.4727980515160526
Energy: 1.500489347820027
Energy: 1.5357041696025495
Energy: 1.5326186841101446
Energy: 1.5025129030519824
Energy: 1.5396848190828012
Energy: 1.5135272287095007
Energy: 1.552703879103523
Energy: 1.5026683915663461
Energy: 1.509974492166366
Energy: 1.5537842305963718
Energy: 1.5150741548971902
Energy: 1.5096623455229865
Energy: 1.4734227857536375
Energy: 1.5485679183022178
Energy: 1.548288444762082
Energy: 1.4717184167703166
Energy: 1.5411121293117775
Energy: 1.5393467576340587
Energy: 1.530453040713
Energy: 1.4906442386217569
Energy: 1.4900720530185414
Energy: 1.4797261136376336
Energy: 1.5139640905724105
Energy: 1.4913432749881912
Energy: 1.5260153175349334
Energy: 1.417408594531444
Energy: 1.4179346243623137
Energy: 1.5275121929672955
Energy: 1.379279535238328
Energy: 1.4176609756422747
Energy: 1.5349615954142932
Energy: 1.4171346533742195
Energy: 1.417764957097734
Energy: 1.53521528383822
Energy: 1.379182076713058
Energy: 1.4172628638247244
Energy: 1.649779194087579
Energy: 1.490479687364976
Energy: 1.4921554827814325
Energy: 1.5356654473487241
Energy: 1.514246535514343
Energy: 1.4861216476261696
Energy: 1.481985840744621
Energy: 1.5623551717417683
Energy: 1.5703804268747852
Energy: 1.4826882559783736
Energy: 1.561212173752707
Energy: 1.4801478972480318
Energy: 1.6513432907312524
Energy: 1.4866783570249615
Energy: 1.5154045735794188
Energy: 1.6531449272245835
Energy: 1.4978722071624444
Energy: 1.517421422005143
Energy: 1.5255251844171225
Energy: 1.47271585763213
Energy: 1.486750871361728
Energy: 1.5257473698163577
Energy: 1.4727963060432436
Energy: 1.4878176058810177
Energy: 1.5602014652929255
Energy: 1.560202657519453
Energy: 1.5619973435584296
Energy: 1.5082291286502028
Energy: 1.551163525599212
Energy: 1.5065362521746655

minimum gb energy = 1.3778217528909122 eV
minimum distance =  2.28612524177953 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.1799139908753546
Energy: 1.6820914438504837
Energy: 1.5899782405367677
Energy: 1.506495291060018
Energy: 1.5981977962635698
Energy: 1.555945833796059
Energy: 1.7362629459420673
Energy: 1.5281916190762994
Energy: 1.522657604931367
Energy: 1.7358845337725455
Energy: 1.521239695586931
Energy: 1.5237493586268123
Energy: 1.5286963466024261
Energy: 1.4176674466545376
Energy: 1.4880400454770466
Energy: 1.5281659674351575
Energy: 1.418341158067158
Energy: 1.4947783713359684
Energy: 1.5220255170261907
Energy: 1.5276397242984538
Energy: 1.528090282590117
Energy: 1.520779908083154
Energy: 1.5253066460933822
Energy: 1.5261328642235357
Energy: 1.434628028016438
Energy: 1.521939245073615
Energy: 1.519190605824213
Energy: 1.4363833918360867
Energy: 1.5294186002048147
Energy: 1.5082885367512053
Energy: 1.5676647955990421
Energy: 1.5277832526516515
Energy: 1.528585056808509
Energy: 1.561293890405363
Energy: 1.6168197354635665
Energy: 1.526789456394571
Energy: 1.5822965002468234
Energy: 1.530597633428167
Energy: 1.526427700411376
Energy: 1.5825577128075219
Energy: 1.5215433175801274
Energy: 1.533654810757849
Energy: 1.5207409253350876
Energy: 1.4958174398624844
Energy: 1.5225948441559034
Energy: 1.5271227402928782
Energy: 1.5377801124270563
Energy: 1.5196899064849332
Energy: 1.4182046709003915
Energy: 1.5015367745272388
Energy: 1.490940509033478
Energy: 1.417137883511657
Energy: 1.5288010704015715
Energy: 1.4948541119591707
Energy: 1.4165097240881328
Energy: 1.507327007497395
Energy: 1.5057400180410225
Energy: 1.4175519983548412
Energy: 1.4920113789204585
Energy: 1.5063676347254806
Energy: 1.5210423682450167
Energy: 1.3945990769190773
Energy: 1.3945488622966065
Energy: 1.5212244603114007
Energy: 1.394268055679346
Energy: 1.394393411818078
Energy: 1.5991572188346899
Energy: 1.5082858887021684
Energy: 1.5106181497538655
Energy: 1.600934944805186
Energy: 1.5124045671522732
Energy: 1.50873868436008
Energy: 1.489689209475942
Energy: 1.4997282416065194
Energy: 1.5084598718509108
Energy: 1.4486407304538005
Energy: 1.5245537864550411
Energy: 1.5034497430717086
Energy: 1.5744796075377339
Energy: 1.5068110983502294
Energy: 1.5080582427814404
Energy: 1.475615061754845
Energy: 1.51150558018619
Energy: 1.497375546627189
Energy: 1.5034399345150073
Energy: 1.3955013741444193
Energy: 1.4890435778589814
Energy: 1.5029934480551819
Energy: 1.3928546406350413
Energy: 1.4894220879272968
Energy: 1.5431136753713905
Energy: 1.4881717356193944
Energy: 1.4887309095672225
Energy: 1.5390429165117285
Energy: 1.3936518551301977
Energy: 1.4874237642601107
Energy: 1.4610372313392435
Energy: 1.4863766504792182
Energy: 1.5287407093140342
Energy: 1.3918897261322198
Energy: 1.4856926149764897
Energy: 1.5108484093010337
Energy: 1.539169621512216
Energy: 1.4960242847857539
Energy: 1.4955184787532452
Energy: 1.4804085077455735
Energy: 1.5449850486578613
Energy: 1.4868336936676165
Energy: 1.5308055555906026
Energy: 1.4605524658820324
Energy: 1.5274494554772995
Energy: 1.5324405313385216
Energy: 1.4656437839259424
Energy: 1.5073207631421748
Energy: 1.5151944681140161
Energy: 1.5448288750957622
Energy: 1.5276111541458552
Energy: 1.5171312841886546
Energy: 1.3899380608150205
Energy: 1.507227994853077
Energy: 1.3976812845779203
Energy: 1.4954182655570203
Energy: 1.4933774761624152
Energy: 1.3980089369059288
Energy: 1.5033698161473257
Energy: 1.491332938148432
Energy: 1.4406649613998384
Energy: 1.5130830747187487
Energy: 1.5074171594981267
Energy: 1.4397023475193478
Energy: 1.544200912822677
Energy: 1.4982916883446118
Energy: 1.4974629241113688
Energy: 1.5078547749624052
Energy: 1.5289627109153694
Energy: 1.4974304220203458
Energy: 1.5020456231576433
Energy: 1.4885442522004553
Energy: 1.5196740845605532
Energy: 1.4900670234048974
Energy: 1.483220013855694
Energy: 1.52004525559718
Energy: 1.384238830708985
Energy: 1.4908917336100638
Energy: 1.4952992947934063
Energy: 1.5050543838058172
Energy: 1.5106025969122046
Energy: 1.4590010935293505
Energy: 1.5033075394472064
Energy: 1.5116871730484558
Energy: 1.44970701540298
Energy: 1.5208372198941127
Energy: 1.5285162512225758
Energy: 1.4142605684168128
Energy: 1.5198855793297061
Energy: 1.517633579807253
Energy: 1.5117737540807397
Energy: 1.5047016747960404
Energy: 1.498512730515029
Energy: 1.5117338155722122
Energy: 1.4189697556528535
Energy: 1.4970901766275888
Energy: 1.5275320009300737
Energy: 1.5047461661797585
Energy: 1.5112084205908949
Energy: 1.5281335660504138
Energy: 1.4176479910854207
Energy: 1.5126313094977084
Energy: 1.51410087536318
Energy: 1.5574094781661292
Energy: 1.558403280788521
Energy: 1.3823502625533506
Energy: 1.5287354719464978
Energy: 1.4799115246164998

minimum gb energy = 1.3823502625533506 eV
minimum distance =  2.28214194325579 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.9907717057372125
Energy: 1.5169011279048763
Energy: 1.493707356023429
Energy: 1.8682067036750103
Energy: 1.5166620595173912
Energy: 1.8704832792708437
Energy: 1.6929164064958464
Energy: 1.489230293768741
Energy: 1.473370543243706
Energy: 1.5932374966131322
Energy: 1.4928576018220738
Energy: 1.4729871565179185
Energy: 1.5201637368698224
Energy: 1.351338750367544
Energy: 1.3478951302345785
Energy: 1.5205278186197615
Energy: 1.350069855970348
Energy: 1.3472776706767755
Energy: 1.4916305638732676
Energy: 1.4749466265110722
Energy: 1.4706045128515624
Energy: 1.4927070404778144
Energy: 1.4709827475756732
Energy: 1.4696665880798154
Energy: 1.3677762069455457
Energy: 1.501700598347722
Energy: 1.4681540713394707
Energy: 1.3709481431786954
Energy: 1.5220715544953543
Energy: 1.3674471083364217
Energy: 1.472343191797835
Energy: 1.4706221621161872
Energy: 1.4722162304079587
Energy: 1.474075904900417
Energy: 1.5166644567316856
Energy: 1.4712783774139884
Energy: 1.4599979470495503
Energy: 1.4018713127626137
Energy: 1.403170308243128
Energy: 1.4600692062805916
Energy: 1.3985114242251195
Energy: 1.4124654673786228
Energy: 1.5237327507124159
Energy: 1.4717289284388186
Energy: 1.4743154570853525
Energy: 1.4942293073027808
Energy: 1.466949849917168
Energy: 1.4730502146375073
Energy: 1.3498106839256323
Energy: 1.4534066902503955
Energy: 1.3489571346293152
Energy: 1.3499247663485752
Energy: 1.518893704531094
Energy: 1.3491030173269485
Energy: 1.3463762007027094
Energy: 1.4740699934038948
Energy: 1.470710326402882
Energy: 1.3470782720024
Energy: 1.5167980976245663
Energy: 1.4705428524630546
Energy: 1.499516489020056
Energy: 1.3186808609606275
Energy: 1.3182790105630982
Energy: 1.4997194468322343
Energy: 1.3178716497756227
Energy: 1.3182723379246453
Energy: 1.499412545522391
Energy: 1.4700197665113846
Energy: 1.4719235019230736
Energy: 1.4991194701160846
Energy: 1.476522144277025
Energy: 1.469911401320998
Energy: 1.4007461580894986
Energy: 1.479542695459494
Energy: 1.4320902316436912
Energy: 1.345419427577983
Energy: 1.5201890777155214
Energy: 1.407638391596991
Energy: 1.4003252753564843
Energy: 1.478796928843809
Energy: 1.4768569823592415
Energy: 1.4528206174041858
Energy: 1.5054764308547561
Energy: 1.4718180735175022
Energy: 1.5183853816833146
Energy: 1.3479380977506779
Energy: 1.3475479304518974
Energy: 1.5203721845110727
Energy: 1.3518272713265571
Energy: 1.3495215569976329
Energy: 1.5894612147493878
Energy: 1.4534561911948614
Energy: 1.4718352553688976
Energy: 1.5348042891828275
Energy: 1.3496664417431512
Energy: 1.4704001683849484
Energy: 1.9968231306145658
Energy: 1.4273667399835213
Energy: 1.47217486526359
Energy: 1.3165169040807803
Energy: 1.426787676498216
Energy: 1.3176361794532965
Energy: 1.5345663596168513
Energy: 1.5034150408763693
Energy: 1.4893030681120438
Energy: 1.5366027009533303
Energy: 1.5038776871337673
Energy: 1.4678951475741397
Energy: 1.518505297920974
Energy: 1.4021172274960416
Energy: 1.4751483996020296
Energy: 1.5186876273489607
Energy: 1.3475192656035209
Energy: 1.4737102818526433
Energy: 1.5026304523782454
Energy: 1.471392593569092
Energy: 1.473427458633931
Energy: 1.503980948805966
Energy: 1.3492332072786113
Energy: 1.4720727080284148
Energy: 1.3722612015765214
Energy: 1.498431541311038
Energy: 1.4061673268174018
Energy: 1.3698132952337683
Energy: 1.50162754221444
Energy: 1.367927138386868
Energy: 1.4461125008364324
Energy: 1.4748172898302636
Energy: 1.472343229290646
Energy: 1.4482406984501555
Energy: 1.5356887648781767
Energy: 1.472027319494322
Energy: 1.415728895960328
Energy: 1.4024840256712643
Energy: 1.447053828316805
Energy: 1.4158326204545568
Energy: 1.3985849658589877
Energy: 1.4023926238692397
Energy: 1.452882711837959
Energy: 1.467394234712659
Energy: 1.4709080977683986
Energy: 1.452206056102022
Energy: 1.4124895260716128
Energy: 1.4710870907005191
Energy: 1.3636278175153036
Energy: 1.4756554132871917
Energy: 1.4727041278258344
Energy: 1.3641970921461952
Energy: 1.4998186489427057
Energy: 1.4463822385346476
Energy: 1.3491565185344387
Energy: 1.4772723082216912
Energy: 1.4705482065721824
Energy: 1.35099291534345
Energy: 1.516356110073185
Energy: 1.4711645297443545
Energy: 1.51458812106033
Energy: 1.3193664276695791
Energy: 1.4735760142293437
Energy: 1.4993423122492342
Energy: 1.3183512604695093
Energy: 1.468825222641296
Energy: 1.5158889468986527
Energy: 1.4603962495839384
Energy: 1.4730512609623405
Energy: 1.5172608168652786
Energy: 1.318802399676047
Energy: 1.4776771100170019
Energy: 1.4001408966044324
Energy: 1.4924048959649021
Energy: 1.4761458553705
Energy: 1.3434736554381819
Energy: 1.5188170044088536
Energy: 1.4757329965871562
Energy: 1.4014522676319852
Energy: 1.4869292609210638
Energy: 1.4063658372438719
Energy: 1.3435768997894169
Energy: 1.4993873906372654
Energy: 1.449327511112269
Energy: 1.5161840435451124
Energy: 1.3497160068682024
Energy: 1.453521227250379
Energy: 1.5174211381810188
Energy: 1.347665533288366
Energy: 1.455079367230923
Energy: 1.5182995295472181
Energy: 1.4017055477412539
Energy: 1.4498232961644413
Energy: 1.519102651545892
Energy: 1.3991525513106606
Energy: 1.4066042446064093
Energy: 1.4264132750519691
Energy: 1.349622307624179
Energy: 1.4100404454859898
Energy: 1.3159350645218402
Energy: 1.4278061508584712
Energy: 1.4101410825814245

minimum gb energy = 1.3159350645218402 eV
minimum distance =  2.28543625627635 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.020466030768777208
Energy: 1.1144376900376534
Energy: 0.02124187271467746
Energy: 0.02311490596517937
Energy: 1.1171107780121186
Energy: 0.021093648191659455
Energy: 0.7594247516836923
Energy: 0.17753376854191819
Energy: 0.17488460706455125
Energy: 0.1752748552051788
Energy: 0.17507087449151335
Energy: 0.1745562662501209
Energy: 1.7013640824236114
Energy: 1.1179909146199625
Energy: 1.1154812454227654
Energy: 1.1122793330121288
Energy: 1.1162952636937327
Energy: 1.1155174008397915
Energy: 0.0216397991924164
Energy: 0.17753376854191819
Energy: 0.17488460706543413
Energy: 0.1752748552051788
Energy: 0.17507087449244815
Energy: 0.1745562662501209

minimum gb energy = 0.020466030768777208 eV
minimum distance =  2.45865492573054 Angstroms
sigma value = 1