Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863848514854908
cohesive_energy=4.177572505228375
mass=55.845
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=[1.9931878415277001e-19, 2.7565128552643197e-19, 3.33936869294718e-19, 3.8156797844690396e-19, 4.21760181487428e-19, 4.56330346719246e-19, 4.864272347889359e-19, 5.12815083950916e-19, 5.36089903913034e-19, 5.5666826060012995e-19, 5.74849761042762e-19, 5.908955600322719e-19, 6.05015542707714e-19, 6.1739716373526595e-19, 6.28176608128818e-19, 6.37475641312554e-19, 6.45411222180756e-19, 6.52076276978196e-19, 6.57552516713208e-19, 6.61905630627786e-19, 6.651997057872899e-19, 6.6749081837391e-19, 6.688302380399339e-19, 6.69267632261016e-19, 6.687965923306199e-19, 6.67268115821784e-19, 6.644883393617939e-19, 6.602441734583279e-19, 6.54255237200436e-19, 6.46188277848246e-19, 6.356379447133559e-19, 6.22113971745762e-19, 6.05033166650688e-19, 5.836617325297619e-19, 5.57080019995068e-19, 5.24187333699048e-19, 4.83514477668324e-19, 4.3323657271677e-19, 3.7100322572230797e-19, 2.93763892373802e-19, 1.9753235720586001e-19, 7.69137710564772e-20, -7.53660684280332e-20, -2.69353129178178e-19, -5.19300694965348e-19, -8.457153449634358e-19, -1.279124952756678e-18, -1.86650373507732e-18, -2.682844773633e-18, -3.8537475012928795e-18, -5.6032602985555195e-18, -8.362160397004499e-18]
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: 0.01283546430245338
Energy: 0.013489332704517229
Energy: 0.3047544875917318
Energy: 0.30479800132905727
Energy: 0.3044152262088917
Energy: 0.012923070837946844
Energy: 0.013489332704017535
Energy: -0.2846598933668006
Energy: 0.3049992833068908
Energy: 0.3044854312667264
Energy: 0.30437723195245875
Energy: 0.3046982321085404
Energy: 0.3047544875897885
Energy: 0.3049992816791661
Energy: -0.2857931945342932
Energy: 0.013610370922468314
Energy: 0.3044630496228484
Energy: 0.30503412784766715
Energy: 0.30479800109561694
Energy: 0.3044854312662545
Energy: 0.01361037092196862
Energy: 0.013038255950662936
Energy: 0.30399948609703326
Energy: 0.30448611471576087
Energy: 0.30441522674511867
Energy: 0.3043772319529584
Energy: 0.30446248340274756
Energy: 0.3039994860960616
Energy: -0.2759806876070258
Energy: 0.3046261961445338
Energy: 0.012923070836503283
Energy: 0.30469823211539737
Energy: 0.30503412615251163
Energy: 0.3044861147250607
Energy: 0.3046261961337904
Energy: 0.012965965937184848

minimum gb energy = -0.2857931945342932 eV
minimum distance =  2.47904134962086 Angstroms
sigma value = 1


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

Energy: 1.588632944694033
Energy: 1.2841474067738199
Energy: 1.468741949301812
Energy: 1.4682741187924453
Energy: 1.4685498591859243
Energy: 1.286594891886011
Energy: 1.5895030950435356
Energy: 1.3158469652262925
Energy: 1.3866571400555228
Energy: 1.442747168351725
Energy: 1.3938100036312906
Energy: 1.3685313563388561
Energy: 1.5899554746487756
Energy: 1.3664283713537047
Energy: 1.3181476385819029
Energy: 1.5052194268097607
Energy: 1.3833548804799491
Energy: 1.373975285817243
Energy: 1.7012876734948186
Energy: 1.3666494125663309
Energy: 1.298934253603329
Energy: 1.504853851997471
Energy: 1.37128924523291
Energy: 1.3582891381473747
Energy: 1.5952368466760856
Energy: 1.3661836789145032
Energy: 1.357404458358473
Energy: 1.444274103527612
Energy: 1.3173937595108893
Energy: 1.3703157646099147
Energy: 1.5913309824981565
Energy: 1.2709979844123525
Energy: 1.2705800478766678
Energy: 1.4446717888144158
Energy: 1.277307267928447
Energy: 1.2711411239987638
Energy: 1.591605025756981
Energy: 1.2704045837732503
Energy: 1.2710271978908418
Energy: 1.2607344680214365
Energy: 1.2759278297411851
Energy: 1.2704523408278605
Energy: 1.5928325272663484
Energy: 1.459274659360053
Energy: 1.3867719162378833
Energy: 1.442944835465658
Energy: 1.2738268814281914
Energy: 1.4498800555065294
Energy: 1.588990067856022
Energy: 1.2707303369928258
Energy: 1.2701494874744446
Energy: 1.3798533808595672
Energy: 1.2727501450732825
Energy: 1.398758004101536
Energy: 1.5884362898053408
Energy: 1.2696448877547815
Energy: 1.2694674771677765
Energy: 1.3790364790610636
Energy: 1.2723171110325378
Energy: 1.2674087566907462
Energy: 1.5924332919366626
Energy: 1.3722013078212816
Energy: 1.3704164493467252
Energy: 1.437129279138948
Energy: 1.469766012351477
Energy: 1.4477735858603304
Energy: 1.7007230066468653
Energy: 1.381426096408594
Energy: 1.2867536325397873
Energy: 1.46653085171557
Energy: 1.38816461448951
Energy: 1.3830971140320016
Energy: 1.5943402576186014
Energy: 1.3813518127437274
Energy: 1.2867188192895278
Energy: 1.4661312559068853
Energy: 1.390716167113798
Energy: 1.3828646490595287
Energy: 1.590946435150637
Energy: 1.3701262589006744
Energy: 1.3639774419173354
Energy: 1.4353338394333401
Energy: 1.3791300380265814
Energy: 1.3672864062751138
Energy: 1.5866151258237717
Energy: 1.3948544467407062
Energy: 1.362269810573412
Energy: 1.361762797974191
Energy: 1.3670720529861289
Energy: 1.2982686550501306
Energy: 1.5866070227866653
Energy: 1.3845595015268415
Energy: 1.3828838846726166
Energy: 1.3677319839246698
Energy: 1.366988243746586
Energy: 1.3748951358235393
Energy: 1.590806590682996
Energy: 1.3806930541702163
Energy: 1.4516776575620813
Energy: 1.446392224619729
Energy: 1.2731635521638716
Energy: 1.3837977378075632
Energy: 1.7063949732329275
Energy: 1.274925286190467
Energy: 1.2698908079918172
Energy: 1.2706934613798355
Energy: 1.2695213740965083
Energy: 1.2695640179798109
Energy: 1.5946566824438757
Energy: 1.278288533640535
Energy: 1.4040387405310093
Energy: 1.4520960258028135
Energy: 1.2714974172086864
Energy: 1.2699490868591168
Energy: 1.5911384058791804
Energy: 1.2723911787661506
Energy: 1.444369183965988
Energy: 1.447625056406325
Energy: 1.2721979429579668
Energy: 1.369124695495277
Energy: 1.7031885244135574
Energy: 1.27203632958471
Energy: 1.267355923688899
Energy: 1.422798338580093
Energy: 1.2697010175045147
Energy: 1.2697478665006923
Energy: 1.590058654811954
Energy: 1.2705032506765332
Energy: 1.271196417120538
Energy: 1.4576823566703019
Energy: 1.2712108091722765
Energy: 1.370233678601881
Energy: 1.5895620137347395
Energy: 1.3171704033007572
Energy: 1.3845349494315504
Energy: 1.3762722334658584
Energy: 1.3921753308746894
Energy: 1.369625594169338

minimum gb energy = 1.2607344680214365 eV
minimum distance =  2.27828738746338 Angstroms
sigma value = 33


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

Energy: 1.6821891498740726
Energy: 1.5813143894661645
Energy: 1.6398743364123958
Energy: 1.6404810736552788
Energy: 1.639929895928684
Energy: 1.3680704259505803
Energy: 1.6773717738681821
Energy: 1.3982936835125388
Energy: 1.5965124925549856
Energy: 1.6790384267775995
Energy: 1.5995580140231915
Energy: 1.3887761621461008
Energy: 1.6922559701456985
Energy: 1.403033813459551
Energy: 1.4576235986425314
Energy: 1.6859260416276944
Energy: 1.4056854137406856
Energy: 1.3915109131728443
Energy: 1.6801621140973177
Energy: 1.4658301095980135
Energy: 1.4108359386745881
Energy: 1.6645943691572556
Energy: 1.4643519511974876
Energy: 1.4730048830874511
Energy: 1.6787695254285249
Energy: 1.392539763543564
Energy: 1.597733248747194
Energy: 1.6787310095096668
Energy: 1.4434569047094037
Energy: 1.474348516385017
Energy: 1.6798615827815238
Energy: 1.3257325204278003
Energy: 1.3247274637233213
Energy: 1.6807125469339552
Energy: 1.3263963080302927
Energy: 1.3246693652974963
Energy: 1.6789803953938123
Energy: 1.324218176333155
Energy: 1.3246784575899733
Energy: 1.3350405681242754
Energy: 1.325258773116171
Energy: 1.3247507735358623
Energy: 1.68987225545082
Energy: 1.5975778134311198
Energy: 1.5975741838885753
Energy: 1.745528319672712
Energy: 1.329009264417377
Energy: 1.5960369414651072
Energy: 1.676680244066427
Energy: 1.4646073291885429
Energy: 1.4060262007013375
Energy: 1.40453346289595
Energy: 1.4108329660066952
Energy: 1.597582852512376
Energy: 1.6722631177897918
Energy: 1.409520014058345
Energy: 1.404845717081557
Energy: 1.6994726802550677
Energy: 1.4064824296913587
Energy: 1.3471444847784195
Energy: 1.6788181320148858
Energy: 1.5977961396918698
Energy: 1.4051203563220986
Energy: 1.6791638594232303
Energy: 1.3927413488100937
Energy: 1.5952022758724314
Energy: 1.6790599822835583
Energy: 1.5712378108758405
Energy: 1.5987778618507265
Energy: 1.6823936561609751
Energy: 1.6004972251354337
Energy: 1.5669387280778333
Energy: 1.751394993725486
Energy: 1.5714827285732702
Energy: 1.5988313072866798
Energy: 1.6724499587207555
Energy: 1.575406994289188
Energy: 1.5679253423663373
Energy: 1.6880865501611375
Energy: 1.6910147947950682
Energy: 1.4048279573401719
Energy: 1.6797248979281394
Energy: 1.4029472798766993
Energy: 1.69001399979725
Energy: 1.6855373426926248
Energy: 1.3310392010042325
Energy: 1.3311788111313942
Energy: 1.6501364321230623
Energy: 1.3303697559976813
Energy: 1.3311098866284181
Energy: 1.7205270807035702
Energy: 1.3312204787153155
Energy: 1.3315215628348502
Energy: 1.3979265954985356
Energy: 1.3300010525195185
Energy: 1.7201130745131934
Energy: 1.6896542599435957
Energy: 1.6790494720819265
Energy: 1.3936035171764014
Energy: 1.678895341718697
Energy: 1.3296957210304368
Energy: 1.679040219242762
Energy: 1.6760073651172496
Energy: 1.3299214112952058
Energy: 1.3303405169262303
Energy: 1.3287173654022237
Energy: 1.333403388660585
Energy: 1.336358828375207
Energy: 1.676133032263384
Energy: 1.3311322864402382
Energy: 1.330860089368621
Energy: 1.759144626881074
Energy: 1.3341975630308105
Energy: 1.3300487479891345
Energy: 1.6911144945888716
Energy: 1.598560902403264
Energy: 1.4705077660411296
Energy: 1.679851721690703
Energy: 1.402455999331216
Energy: 1.5938176620709161
Energy: 1.7470669759780775
Energy: 1.6407185807848053
Energy: 1.47673147268122
Energy: 1.6733517753807776
Energy: 1.5668331668939053
Energy: 1.6413252707614492
Energy: 1.6812122861156413
Energy: 1.597795911352277
Energy: 1.3896760047103875
Energy: 1.673505593819804
Energy: 1.5993089401876734
Energy: 1.5959724106739477
Energy: 1.6886051425271638
Energy: 1.4555540940939102
Energy: 1.392031287426825
Energy: 1.6797114717504926
Energy: 1.465816219248767
Energy: 1.5993377240720967
Energy: 1.6753094881017192
Energy: 1.4638112404615318
Energy: 1.4715927827860629
Energy: 1.4626220891193027
Energy: 1.4642863531797803
Energy: 1.3544608976819532
Energy: 1.67919252391627
Energy: 1.5185712815916999
Energy: 1.3923313634659658
Energy: 1.7583232626803234
Energy: 1.4659649810095459
Energy: 1.598322163649665
Energy: 1.679221798031374
Energy: 1.3262359631899372
Energy: 1.3252809968495183
Energy: 1.680793287858569
Energy: 1.3278757427326968
Energy: 1.5971921374220859
Energy: 1.8131648362103745
Energy: 1.324051627768649
Energy: 1.3244935906292943
Energy: 1.5674648002038731
Energy: 1.3249760880334391
Energy: 1.3242702382936131
Energy: 1.681240918051522
Energy: 1.3263014613055197
Energy: 1.5960406112602346
Energy: 1.678689068784514
Energy: 1.328227708563467
Energy: 1.597442359628729
Energy: 1.6873855806531628
Energy: 1.411047981785163
Energy: 1.6001572597102045
Energy: 1.6775330222755234
Energy: 1.4030712666393113
Energy: 1.4057429965236554
Energy: 1.687770411621204
Energy: 1.4649575072645442
Energy: 1.3365426309261268
Energy: 1.3558224258323734
Energy: 1.4642561283039417
Energy: 1.4656984143104013
Energy: 1.689826207811704
Energy: 1.3977990056415923
Energy: 1.5979128879275617
Energy: 1.680022493766998
Energy: 1.333701959180164
Energy: 1.4058174665501
Energy: 1.6756529461747551
Energy: 1.5998941236513606
Energy: 1.5988850989129382
Energy: 1.6813372808156575
Energy: 1.5997791962493324
Energy: 1.6122292044176258
Energy: 1.6707138172454286
Energy: 1.5735132139325034
Energy: 1.5979373479508154
Energy: 1.6449657263457862
Energy: 1.5981804982970869
Energy: 1.482032866286871
Energy: 1.6931369692664966
Energy: 1.4036987320399341
Energy: 1.597266395994742
Energy: 1.6917641808410573
Energy: 1.5985030189742853
Energy: 1.4035414992965942
Energy: 1.680105288980131
Energy: 1.3395763211949805
Energy: 1.3311924308888152
Energy: 1.6111723769689847
Energy: 1.3312291611708214
Energy: 1.3982247966860577
Energy: 1.6801549432361114
Energy: 1.3286312635124606
Energy: 1.330829840044157
Energy: 1.6732980933749795
Energy: 1.3308450299006604
Energy: 1.3301269108088458
Energy: 1.6807825930822287
Energy: 1.4036007319835409
Energy: 1.6566292020099787
Energy: 1.6890532870704655
Energy: 1.6892009435835083
Energy: 1.6459387102661374
Energy: 1.6798422695704553
Energy: 1.3296377735390086
Energy: 1.330656826780163
Energy: 1.676495984520332
Energy: 1.3305481725720414
Energy: 1.3297190477664114
Energy: 1.679042489475318
Energy: 1.3300304508581806
Energy: 1.3308311128768358
Energy: 1.6613229554642983
Energy: 1.330475971760555
Energy: 1.4100136528564484
Energy: 1.6765439869997216
Energy: 1.3943588335844184
Energy: 1.5982326879161255
Energy: 1.6904343365161818
Energy: 1.599696409572801
Energy: 1.476219710133264
Energy: 1.673735562719425
Energy: 1.5693833134761017
Energy: 1.5646396028078535
Energy: 1.621162784647761
Energy: 1.5693125163084625
Energy: 1.3672868317050932

minimum gb energy = 1.324051627768649 eV
minimum distance =  2.27010155678228 Angstroms
sigma value = 51


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

Energy: 3.3445869696292854
Energy: 1.3423492621903783
Energy: 1.5417985828408918
Energy: 1.538050498251282
Energy: 1.5425321389931779
Energy: 1.3459025658094115
Energy: 1.660405037151706
Energy: 1.318659125300245
Energy: 1.5419468316722313
Energy: 1.807092664947171
Energy: 1.541305927092747
Energy: 1.540790571841754
Energy: 1.80641539597507
Energy: 1.543589346119867
Energy: 1.3228328215249916
Energy: 1.804599623588704
Energy: 1.5456894353850832
Energy: 1.5483569340268668
Energy: 1.8044392107548992
Energy: 1.5401377389352442
Energy: 1.5423926280459308
Energy: 1.5925355448566954
Energy: 1.5450195300216272
Energy: 1.5413542786397498
Energy: 1.8062518898528963
Energy: 1.5403206958080782
Energy: 1.5437936125241645
Energy: 1.8057130854991585
Energy: 1.2845476318449929
Energy: 1.5416631441590145
Energy: 1.806903735704691
Energy: 1.324040788030943
Energy: 1.5411945936270477
Energy: 1.8062808903437517
Energy: 1.328010575637134
Energy: 1.3259107403988903
Energy: 1.8069467503686554
Energy: 1.3261994104176775
Energy: 1.3243501377670939
Energy: 1.3357677131541819
Energy: 1.3250145995527114
Energy: 1.3242013551021674
Energy: 1.8077879027980706
Energy: 1.5444293273578755
Energy: 1.5416882079296776
Energy: 1.8059507493326765
Energy: 1.3295193736069888
Energy: 1.5433716255677317
Energy: 1.6613295134039046
Energy: 1.5401762675411554
Energy: 1.5431429898128375
Energy: 1.5404110113534322
Energy: 1.5420390444316923
Energy: 1.6591638354634681
Energy: 1.6634220703472133
Energy: 1.5460557112802074
Energy: 1.544659579892814
Energy: 1.8071366138991536
Energy: 1.543258254383289
Energy: 1.344163416117115
Energy: 1.809926176720899
Energy: 1.542729596138388
Energy: 1.541865156588615
Energy: 1.8078279850912713
Energy: 1.5421394880971793
Energy: 1.5423299283755871
Energy: 1.806826723446398
Energy: 1.543736138367828
Energy: 1.5339477466747395
Energy: 1.5856411534443382
Energy: 1.5462813585670412
Energy: 1.5455405348975146
Energy: 1.8056111870280882
Energy: 1.5371673465638762
Energy: 1.5394825813446062
Energy: 1.5901006313358068
Energy: 1.5409806290301562
Energy: 1.543412191816369
Energy: 1.8088474087151476
Energy: 1.5404044199902538
Energy: 1.5429095781064384
Energy: 1.8072351996553702
Energy: 1.5437604763059418
Energy: 1.5390427590976672
Energy: 1.8062811040248472
Energy: 1.3059088904895984
Energy: 1.3252388622078484
Energy: 1.7196153364172662
Energy: 1.3251682004893064
Energy: 1.3239472285265226
Energy: 1.8061660572393772
Energy: 1.3246282075812854
Energy: 1.3240978706994586
Energy: 1.340659176708999
Energy: 1.323851018790277
Energy: 1.5434641226195083
Energy: 1.8062272066449363
Energy: 1.5441178932302373
Energy: 1.5404898474703546
Energy: 1.8075689215910342
Energy: 1.5405138815302577
Energy: 1.547378138888812
Energy: 1.6631101669238275
Energy: 1.5350046531730452
Energy: 1.5433608171928572
Energy: 1.5455625888396352
Energy: 1.5452655692270247
Energy: 1.3453906795657509

minimum gb energy = 1.2845476318449929 eV
minimum distance =  2.2758965182962 Angstroms
sigma value = 19


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

Energy: 1.8576644407335214
Energy: 1.731508105159362
Energy: 1.8099101753675042
Energy: 1.7741748878739343
Energy: 1.8097393774510242
Energy: 1.7315360486692084
Energy: 1.847302830501744
Energy: 1.5411074324834797
Energy: 1.8086394686023295
Energy: 1.8530995171771214
Energy: 1.697709534963115
Energy: 1.510969036684442
Energy: 1.8725621274960174
Energy: 1.5414111258528194
Energy: 1.5508625975401482
Energy: 1.8530690970633428
Energy: 1.5415201345647473
Energy: 1.54201014288564
Energy: 1.8724847519952743
Energy: 1.5399854834122877
Energy: 1.5299847053235882
Energy: 1.6925605329879643
Energy: 1.5300656640991066
Energy: 1.5407131020535443
Energy: 1.8725938722513618
Energy: 1.516902495764369
Energy: 1.6976970606703847
Energy: 1.8530972983889076
Energy: 1.5578072159296161
Energy: 1.540568609087623
Energy: 1.8718973791796971
Energy: 1.5271723960103147
Energy: 1.698230258572542
Energy: 1.852985312490817
Energy: 1.3138011297286585
Energy: 1.5263298355146908
Energy: 1.872270254896307
Energy: 1.5403575708533355
Energy: 1.3235435660071535
Energy: 1.3444142024388317
Energy: 1.5407888198545248
Energy: 1.53923975914048
Energy: 1.8736773508492797
Energy: 1.5331544143194393
Energy: 1.703513254970691
Energy: 1.853107041753587
Energy: 1.318783955256266
Energy: 1.541220778875528
Energy: 1.8435908860965022
Energy: 1.6796290268902936
Energy: 1.7789048083835173
Energy: 1.8536019798231342
Energy: 1.780007135692768
Energy: 1.533177321645606
Energy: 1.8635996602618052
Energy: 1.7769141426189798
Energy: 1.8107521394787016
Energy: 1.8096041691793487
Energy: 1.8112023106066328
Energy: 1.5735084405685829
Energy: 1.872888264045414
Energy: 1.5363812052514598
Energy: 1.7764905386550014
Energy: 1.7893007654574309
Energy: 1.697925580737515
Energy: 1.537610611879749
Energy: 1.8729923595203657
Energy: 1.3105619077409167
Energy: 1.3155012749614754
Energy: 1.667374949183833
Energy: 1.3118723514126964
Energy: 1.5170688101671532
Energy: 1.8477758056740823
Energy: 1.2946014402551804
Energy: 1.2990593817110527
Energy: 1.6730139489699036
Energy: 1.2868782753705446
Energy: 1.2919608445347461
Energy: 1.872664565281528
Energy: 1.299255247759263
Energy: 1.5401948679619395
Energy: 1.8731977806521733
Energy: 1.5413501080446474
Energy: 1.6927505011796886
Energy: 1.8558154932623658
Energy: 1.775619492298427
Energy: 1.5449607078850025
Energy: 1.8475987061246486
Energy: 1.6996745651032144
Energy: 1.7730625485869906
Energy: 1.8723475864955546
Energy: 1.8122167199109063
Energy: 1.7337816276275297
Energy: 1.8416905131021397
Energy: 1.7791845003370241
Energy: 1.8126338261589354
Energy: 1.8510876266045158
Energy: 1.6990214051267771
Energy: 1.5425861086093398
Energy: 1.8556518553379329
Energy: 1.5367227475210294
Energy: 1.8083156051498668
Energy: 1.8628971015264866
Energy: 1.5314354278500668
Energy: 1.5435789680343488
Energy: 1.873076067271386
Energy: 1.5431167986821301
Energy: 1.5290807068005021
Energy: 1.8627906658861553
Energy: 1.533984543999949
Energy: 1.5448005540899878
Energy: 1.5304240944449712
Energy: 1.5339855728661698
Energy: 1.5528268089236617
Energy: 1.8505736406710178
Energy: 1.6954995852943975
Energy: 1.542266921995952
Energy: 1.8723735922975817
Energy: 1.3035783778059475
Energy: 1.6975180917644972
Energy: 1.8457138171679677
Energy: 1.52818753528981
Energy: 1.5313963719653902
Energy: 1.5275062523055727
Energy: 1.5223736065448776
Energy: 1.68285087526412
Energy: 1.849699619675657
Energy: 1.528098160874883
Energy: 1.5325095041868453
Energy: 1.8726447470184184
Energy: 1.5417366088189577
Energy: 1.3423456340615267
Energy: 1.852845650988175
Energy: 1.6988381291392647
Energy: 1.5419590222279758
Energy: 1.8731788715389075
Energy: 1.532904657646967
Energy: 1.8075072058475357
Energy: 1.8732057779191507
Energy: 1.7759453382022994
Energy: 1.5741970411700954
Energy: 1.8641839771777635
Energy: 1.77757597693119
Energy: 1.7731737122829063
Energy: 1.9718844720749413
Energy: 1.7739329658872585
Energy: 1.3036572451996695
Energy: 1.8437386367763247
Energy: 1.6796129323284341
Energy: 1.7801352959883685
Energy: 1.8727983298794932
Energy: 1.5444436732278433
Energy: 1.5431279538559861
Energy: 1.8730899530434009
Energy: 1.54128149013555
Energy: 1.7758826508152854
Energy: 1.8723816015282213
Energy: 1.3057730573189792
Energy: 1.3038795376873922
Energy: 1.8726820273234497
Energy: 1.3109220655900184
Energy: 1.3088089925615738
Energy: 1.8728658649886762
Energy: 1.3007897296583877
Energy: 1.3180029488981684
Energy: 1.3353346599695752
Energy: 1.312126834230937
Energy: 1.5311799597259041
Energy: 1.872377204739452
Energy: 1.5397548405969679
Energy: 1.7000961725449286
Energy: 1.8727493566896447
Energy: 1.6999364041590823
Energy: 1.5382966339405275
Energy: 1.8402805630234615
Energy: 1.6889339524629852
Energy: 1.778435675295132
Energy: 1.808870034879064
Energy: 1.776245960991238
Energy: 1.7315981356707524

minimum gb energy = 1.2868782753705446 eV
minimum distance =  2.25604300827544 Angstroms
sigma value = 27


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

Energy: 2.4167569906600437
Energy: 1.097897228716845
Energy: 1.557172574973193
Energy: 1.8548035670544625
Energy: 1.5566959317840507
Energy: 1.141290986741131
Energy: 1.8409097552019875
Energy: 1.0728890767138464
Energy: 1.5604980431868556
Energy: 1.851214111907276
Energy: 1.071497962548989
Energy: 1.5618314813922693
Energy: 1.856286251758553
Energy: 1.5656893833560395
Energy: 1.055997750312756
Energy: 1.853816217609127
Energy: 1.056602871297318
Energy: 1.565323042312958
Energy: 1.8552387842679632
Energy: 1.5570086062489126
Energy: 1.5563385401328393
Energy: 1.556184569446766
Energy: 1.5568611741527154
Energy: 1.5544117682477958
Energy: 1.8546129929791166
Energy: 1.0453380880111702
Energy: 1.0575185973896888
Energy: 1.8540088598420905
Energy: 1.0621271785083253
Energy: 1.5555796679791067
Energy: 1.8576315867185198
Energy: 1.558084654202318
Energy: 1.0723645383749845
Energy: 1.854741087615379
Energy: 1.0789140840942715
Energy: 1.557658108421007
Energy: 1.8548650127871285
Energy: 1.557017122620588
Energy: 1.1437360665610021
Energy: 1.144404047414997
Energy: 1.5547846051645797
Energy: 1.556762356163229
Energy: 1.8509226802920766
Energy: 1.5591965648562973
Energy: 1.0626398108810378
Energy: 1.8548106406632232
Energy: 1.0747941641859498
Energy: 1.5511151717617508
Energy: 1.853835608362021
Energy: 1.0630080981398782
Energy: 1.5647180757618029
Energy: 1.856955869084092
Energy: 1.5655305691346746
Energy: 1.0751876279765284
Energy: 1.8402332844367977
Energy: 1.5559698151340615
Energy: 1.5557678313086258
Energy: 1.5551944160611308
Energy: 1.5573854395166948
Energy: 1.5630038407439406
Energy: 1.854163021031426
Energy: 1.063878155993633
Energy: 1.5577551589622933
Energy: 1.8547841115509949
Energy: 1.0686463626817986
Energy: 1.0685158009006321
Energy: 1.8534195943297487
Energy: 1.0778295335873311
Energy: 1.5587842303816604
Energy: 1.8583661366076147
Energy: 1.073976608270134
Energy: 1.0667071711329303

minimum gb energy = 1.0453380880111702 eV
minimum distance =  2.29247874106658 Angstroms
sigma value = 9


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

Energy: 1.9899792913565608
Energy: 1.8263210082928287
Energy: 1.843439076553074
Energy: 1.8502244560550132
Energy: 1.8432922377904044
Energy: 1.7064279690586657
Energy: 1.840959127536009
Energy: 1.473725659703303
Energy: 1.8476372947521709
Energy: 1.8525618216781596
Energy: 1.6665872756385514
Energy: 1.4739417303679172
Energy: 1.8504112679479525
Energy: 1.4678572307795736
Energy: 1.4684449954965484
Energy: 1.944766425846477
Energy: 1.4699489094337124
Energy: 1.6678830710277637
Energy: 1.8494251313404995
Energy: 1.4531624460716677
Energy: 1.4669707281144526
Energy: 1.8491060542534834
Energy: 1.4567636507880266
Energy: 1.4568825533661425
Energy: 1.944578438133053
Energy: 1.4681715763241452
Energy: 1.4676376627514514
Energy: 1.851719011256724
Energy: 1.45896795411828
Energy: 1.4532624022850231
Energy: 1.851901285341628
Energy: 1.8471541333237929
Energy: 1.4738824096146306
Energy: 1.8535375839570838
Energy: 1.476678641317887
Energy: 1.8479536245286525
Energy: 1.852840783615486
Energy: 1.84325516983406
Energy: 1.768314292411262
Energy: 1.631879988140827
Energy: 1.8432453814255294
Energy: 1.8435212700893517
Energy: 1.8470299343018368
Energy: 1.8465727995319208
Energy: 1.4736035058084873
Energy: 1.8534303481961418
Energy: 1.4754672643300633
Energy: 1.8474963905787856
Energy: 1.8500760737431643
Energy: 1.5752524759991473
Energy: 1.5829256306316
Energy: 1.8609748591490936
Energy: 1.4552735678475062
Energy: 1.5726705779514265
Energy: 1.856066558198759
Energy: 1.573793554815269
Energy: 1.5775894849602308
Energy: 1.8684269634677637
Energy: 1.5765458539760704
Energy: 1.5747543489214553
Energy: 1.8456844071050416
Energy: 1.5807758946205186
Energy: 1.5862565853261212
Energy: 1.9696400591982202
Energy: 1.578118136280448
Energy: 1.5771506173634229
Energy: 1.8469130954411124
Energy: 1.5832863357200986
Energy: 1.7650489230888993
Energy: 1.8515082395613152
Energy: 1.7603733226316713
Energy: 1.5738498579151354
Energy: 2.0218382724894544
Energy: 1.755481721311761
Energy: 1.7615201535458742
Energy: 1.8572611229905924
Energy: 1.75572216039649
Energy: 1.6000111725872397
Energy: 1.8474559930091967
Energy: 1.5842552187529657
Energy: 1.765261459796824
Energy: 1.8557885086389427
Energy: 1.759543678360745
Energy: 1.582183687274456
Energy: 1.8478999800629787
Energy: 1.580697796183576
Energy: 1.7592580889043157
Energy: 1.857276561520417
Energy: 1.5848396708763668
Energy: 1.6857825232768076
Energy: 2.0324329701411106
Energy: 1.7581657270013125
Energy: 1.7604642174049796
Energy: 1.857426120696137
Energy: 1.7575208711868555
Energy: 1.6888335753052393
Energy: 1.8484110499579554
Energy: 1.5850152480251152
Energy: 1.7605842621853884
Energy: 1.8531843848707603
Energy: 1.7652971449868906
Energy: 1.694124277309081
Energy: 1.84237007510798
Energy: 1.590274265645335
Energy: 1.7577609935055645
Energy: 1.9461313438361583
Energy: 1.633481233497731
Energy: 1.582455709433371
Energy: 1.8522674776429164
Energy: 1.5804685446665292
Energy: 1.572936620371784
Energy: 1.4934600460552085
Energy: 1.5731934139520147
Energy: 1.5711674243901135
Energy: 1.8542696645148948
Energy: 1.5858113863858665
Energy: 1.5807472198426513
Energy: 1.945843355547984
Energy: 1.5743234392824792
Energy: 1.5766603139711768
Energy: 1.8480491845146525
Energy: 1.6730088031218509
Energy: 1.4689815080611506
Energy: 1.8482354093359852
Energy: 1.4740249753240766
Energy: 1.8449274777785825
Energy: 1.8484816145928438
Energy: 1.8455752749720018
Energy: 1.830904021237846
Energy: 1.8486419558228742
Energy: 1.845629261772987
Energy: 1.8461886518122894
Energy: 1.8558825894000783
Energy: 1.8466232671325007
Energy: 1.4750216668555058
Energy: 1.8461847993689189
Energy: 1.6749832539241678
Energy: 1.8447624081280305
Energy: 1.9465194558544179
Energy: 1.4676828686662244
Energy: 1.4687289465604159
Energy: 1.8526507347145371
Energy: 1.4719975976314734
Energy: 1.8165426576672516
Energy: 1.9554852677569234
Energy: 1.4555932539980487
Energy: 1.4571793230968448
Energy: 1.8714809948994289
Energy: 1.4562816128558502
Energy: 1.458053619784565
Energy: 1.9463906315759978
Energy: 1.4672778917033358
Energy: 1.4586589536572392
Energy: 1.8505527336710426
Energy: 1.4564792896995453
Energy: 1.6705395340130973
Energy: 1.8526979853314476
Energy: 1.471042497242042
Energy: 1.843839366266521
Energy: 1.8917947207676358
Energy: 1.4560032793416477
Energy: 1.6765200996857517
Energy: 1.9513564737626494
Energy: 1.8159503619097217
Energy: 1.8455108945825516
Energy: 1.871274263435586
Energy: 1.8456061096477185
Energy: 1.7764946335659004
Energy: 1.8482608172094543
Energy: 1.4747530400572093
Energy: 1.8438089155932968
Energy: 1.8648526039742914
Energy: 1.8510164985194906
Energy: 1.6084045151280075
Energy: 1.8562683646054565
Energy: 1.467805713869124
Energy: 1.5744213778604697
Energy: 1.850634781547932
Energy: 1.5807980247498434
Energy: 1.7658682438197402
Energy: 2.030740651978087
Energy: 1.5772412549631938
Energy: 1.577881508240359
Energy: 1.5748002495151239
Energy: 1.5823460414863244
Energy: 1.5832142643528324
Energy: 2.03041844728561
Energy: 1.576302415900624
Energy: 1.5758683321476872
Energy: 1.8490725961854428
Energy: 1.574505314311681
Energy: 1.4780148000745292
Energy: 1.8532099323993951
Energy: 1.7585973443373342
Energy: 1.5746656866960762
Energy: 1.8453751570614159
Energy: 1.5768080049593807
Energy: 1.7649591402381166
Energy: 1.876229443625873
Energy: 1.7582381803120963
Energy: 1.7584471072610892
Energy: 1.8464737724658575
Energy: 1.7572954186193444
Energy: 1.7653025827371354
Energy: 1.8724299220243945
Energy: 1.7666203271508572
Energy: 1.577037864919158
Energy: 1.86873864117481
Energy: 1.7672132352387693
Energy: 1.771480207709995
Energy: 1.8582155004622156
Energy: 1.6836436997960194
Energy: 1.4704426607754575
Energy: 1.8420092840782711
Energy: 1.468003047123238
Energy: 1.7515773588804917
Energy: 1.8759869923167978
Energy: 1.7720892873644467
Energy: 1.573766544530949
Energy: 1.8479537305474767
Energy: 1.757330974356782
Energy: 1.7764110247715508
Energy: 1.8746999210183668
Energy: 1.7578569881209472
Energy: 1.6850926927018468
Energy: 2.0336273028745735
Energy: 1.7564286611567874
Energy: 1.759970897151693
Energy: 1.8720062050079167
Energy: 1.758633360504391
Energy: 1.5832224444015035
Energy: 1.8467682077681706
Energy: 1.5849412319934046
Energy: 1.7610614977823686
Energy: 1.9550816433372593
Energy: 1.5755881216026584
Energy: 1.5728682853892582
Energy: 1.8480372023597238
Energy: 1.5828340347767043
Energy: 1.5759221116497109
Energy: 1.9477285304535807
Energy: 1.5766715132982088
Energy: 1.5782613961377419
Energy: 1.571630408222104
Energy: 1.588991574991944
Energy: 1.5841417415654222
Energy: 1.8785705810832753
Energy: 1.4701205705444687
Energy: 1.5691588985772351
Energy: 1.8504440800712436
Energy: 1.5818815686048997
Energy: 1.761788385247954
Energy: 1.8459856284968332
Energy: 1.4767964435232972
Energy: 1.8481871146255482
Energy: 1.8690665876760937
Energy: 1.8455650542744275
Energy: 1.4751452833904015

minimum gb energy = 1.4531624460716677 eV
minimum distance =  2.26202170919268 Angstroms
sigma value = 57


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

Energy: 3.3020929854129055
Energy: 1.5381703657314951
Energy: 1.6189375163148518
Energy: 1.6632353921637717
Energy: 1.6183666561698373
Energy: 1.5258042144866628
Energy: 1.6568035309051417
Energy: 1.5354259309221856
Energy: 1.6300081998866702
Energy: 1.691600296556086
Energy: 1.5237462279491392
Energy: 1.509581912685289
Energy: 1.6892671019817223
Energy: 1.5329981425390344
Energy: 1.532676989438643
Energy: 1.6667516915819902
Energy: 1.531532348011755
Energy: 1.5041158820287843
Energy: 1.6597830620945186
Energy: 1.529730614131922
Energy: 1.5309339035638636
Energy: 1.6635990870722925
Energy: 1.5296867839390833
Energy: 1.537819421163263
Energy: 1.65765118374925
Energy: 1.5331095549808123
Energy: 1.5125664489827606
Energy: 1.688133658002544
Energy: 1.5311844898212015
Energy: 1.613374077220096
Energy: 1.6901305709626504
Energy: 1.6309253616587305
Energy: 1.5348133990935087
Energy: 1.6664163253921458
Energy: 1.5182454643669034
Energy: 1.637148036269167
Energy: 1.6626720576306782
Energy: 1.6179845330562994
Energy: 1.6174093261587525
Energy: 1.707793315835697
Energy: 1.6194567911131839
Energy: 1.6234937126836049
Energy: 1.6691360284635972
Energy: 1.6262650389346756
Energy: 1.5167864062865917
Energy: 1.6215133411365503
Energy: 1.5172125085038233
Energy: 1.6101078086238885
Energy: 1.6649797941592424
Energy: 1.5160776408261123
Energy: 1.5074244942406905
Energy: 1.6877058840517687
Energy: 1.512909325340998
Energy: 1.6167330007670238
Energy: 1.6656283350589718
Energy: 1.621393022223731
Energy: 1.5411497567684782
Energy: 1.657042748757683
Energy: 1.4986259912760356
Energy: 1.6193314780387984
Energy: 1.6661867430697332
Energy: 1.6130145259211472
Energy: 1.5267160566465021
Energy: 1.657949520548766
Energy: 1.5247724060735202
Energy: 1.6210330736888394
Energy: 1.6648252078629058
Energy: 1.5102431455392462
Energy: 1.5250075081305152
Energy: 1.6916920795667785
Energy: 1.5350719755228235
Energy: 1.5016770474088386
Energy: 1.6656879562604627
Energy: 1.5327537105645228
Energy: 1.5334521758531678
Energy: 1.6200330577399868
Energy: 1.533135833287876
Energy: 1.5331954791846283
Energy: 1.6654467934331234
Energy: 1.5318902967036094
Energy: 1.5316829957601612
Energy: 1.658430124509537
Energy: 1.5315468459369443
Energy: 1.507746547070125
Energy: 1.6888728042321286
Energy: 1.5331109904740414
Energy: 1.6172549508272815
Energy: 1.6895936079325413
Energy: 1.5084018622717887
Energy: 1.5173611732678167
Energy: 1.6559980640432392
Energy: 1.5014186155494336
Energy: 1.6175963703233738
Energy: 1.6655784989905447
Energy: 1.6175890837524647
Energy: 1.5971071991843926
Energy: 1.6550017272573017
Energy: 1.5153843071523765
Energy: 1.62509997079384
Energy: 1.6673547770067865
Energy: 1.6308343433784116
Energy: 1.5259229186275953
Energy: 1.6897947998563139
Energy: 1.5093955682151692
Energy: 1.609670727399727
Energy: 1.6634473893616997
Energy: 1.510622602371632
Energy: 1.523735822140275
Energy: 1.6567844208611036
Energy: 1.5271133574097069
Energy: 1.643878520572689
Energy: 1.6657997789963093
Energy: 1.6364346455095087
Energy: 1.512599585862852

minimum gb energy = 1.4986259912760356 eV
minimum distance =  2.25703740551774 Angstroms
sigma value = 11


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

Energy: 1.4153096525186768
Energy: 1.4632815137444437
Energy: 1.459771134874091
Energy: 1.4352260674006743
Energy: 1.459162750011869
Energy: 1.4645647565441509
Energy: 1.4221928161861983
Energy: 1.5324153693064382
Energy: 1.475771695043131
Energy: 1.4256299996133528
Energy: 1.4650581266531613
Energy: 1.5299323693094806
Energy: 1.4413905070365345
Energy: 1.5296354394338378
Energy: 1.5050745618711476
Energy: 1.4367200231811719
Energy: 1.5081182308768133
Energy: 1.5154300474687845
Energy: 1.4295037999385642
Energy: 1.5016173838232014
Energy: 1.5048421919992256
Energy: 1.4358863262178365
Energy: 1.5069653225601278
Energy: 1.5419990142439206
Energy: 1.4192230209783672
Energy: 1.5065568459269578
Energy: 1.5076285581970637
Energy: 1.4344403305745521
Energy: 1.5097433388532178
Energy: 1.4711051561675486
Energy: 1.424987569436631
Energy: 1.522471400737574
Energy: 1.5047407566148419
Energy: 1.4314728132982393
Energy: 1.5114454695843391
Energy: 1.5112944442427698
Energy: 1.438431261841505
Energy: 1.503645862739051
Energy: 1.4973293798779737
Energy: 1.4725235643363488
Energy: 1.497225315550703
Energy: 1.4635714644663322
Energy: 1.4373578849776791
Energy: 1.5206050556325796
Energy: 1.5068119222412275
Energy: 1.4441360415217028
Energy: 1.5113039210055976
Energy: 1.5282160576662003
Energy: 1.4390365954031907
Energy: 1.4628845849609322
Energy: 1.529708268719818
Energy: 1.439803204691834
Energy: 1.4997189759004632
Energy: 1.463308546278735
Energy: 1.439051217408913
Energy: 1.4606497448689613
Energy: 1.4623369356593436
Energy: 1.527286066998142
Energy: 1.4623878307674718
Energy: 1.4667689231984522
Energy: 1.4314347254633726
Energy: 1.4639636312638011
Energy: 1.4777646964207516
Energy: 1.4146481328410716
Energy: 1.4667557738933716
Energy: 1.4635199447705491
Energy: 1.436686648682425
Energy: 1.4613408975348514
Energy: 1.5293235384750723
Energy: 1.4387125061282005
Energy: 1.4559038979192382
Energy: 1.438856247647425
Energy: 1.439219065787538
Energy: 1.4705639661592964
Energy: 1.514125726329439
Energy: 1.4266730083998114
Energy: 1.4762841310082235
Energy: 1.4385598052067008
Energy: 1.4359536157913444
Energy: 1.461003113893823
Energy: 1.466118815161601
Energy: 1.404280251903144
Energy: 1.4546664506778675
Energy: 1.4375744191068542
Energy: 1.4377811492675696
Energy: 1.458458473656357
Energy: 1.5301601187362628
Energy: 1.43730368309839
Energy: 1.501142971776293
Energy: 1.4639095725757232
Energy: 1.4413217177587447
Energy: 1.511480571366291
Energy: 1.532890012035506
Energy: 1.4427643233606269
Energy: 1.504552260709671
Energy: 1.5019405582661634
Energy: 1.4370291500430796
Energy: 1.5050656330438394
Energy: 1.538432991908602
Energy: 1.4367680435324814
Energy: 1.4984083996982183
Energy: 1.4588048481474964
Energy: 1.4321014658188658
Energy: 1.515427086042223
Energy: 1.5043541907736118
Energy: 1.4258490197810025
Energy: 1.5138997642420646
Energy: 1.4577018659196634
Energy: 1.4416934849721514
Energy: 1.5135604303433239
Energy: 1.5084602089314894
Energy: 1.428660415235444
Energy: 1.5196143530468742
Energy: 1.5025064071667786
Energy: 1.42512216640663
Energy: 1.4985114515037603
Energy: 1.4957253981563032
Energy: 1.4373324542365236
Energy: 1.5055814422657035
Energy: 1.5003633153281744
Energy: 1.4441580736416693
Energy: 1.5044342507926871
Energy: 1.501831709757053
Energy: 1.434647130538318
Energy: 1.515994217682996
Energy: 1.5074737906669076
Energy: 1.441470126738616
Energy: 1.500906092997589
Energy: 1.4661302387255786
Energy: 1.4323718648306552
Energy: 1.4661678862661618
Energy: 1.5300583758256485
Energy: 1.4146625805966337
Energy: 1.4559841384564067
Energy: 1.4608827446364525
Energy: 1.438311196897157
Energy: 1.4601223395864698
Energy: 1.5284148931723276
Energy: 1.4230830128492873
Energy: 1.4770878037536364
Energy: 1.4684540391620418
Energy: 1.436587720293735
Energy: 1.4709382063353134
Energy: 1.5322838656828701
Energy: 1.4402884181855484
Energy: 1.4997610998970685
Energy: 1.463322915384575
Energy: 1.4371967308168399
Energy: 1.4571783221550707
Energy: 1.5286503537919296
Energy: 1.4298083971234998
Energy: 1.4757822685043838
Energy: 1.463185127884549
Energy: 1.4386111353356803
Energy: 1.464057362695531
Energy: 1.5300822793519928

minimum gb energy = 1.404280251903144 eV
minimum distance =  2.21488943136254 Angstroms
sigma value = 41


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

Energy: 1.2039232884133133
Energy: 1.3091201968469783
Energy: 1.2878931434507066
Energy: 1.252978479607509
Energy: 1.28239836654899
Energy: 1.4190687543695077
Energy: 1.240782416358787
Energy: 1.3842571634966296
Energy: 1.3050212790264022
Energy: 1.253031321812455
Energy: 1.285907855055229
Energy: 1.385061911910447
Energy: 1.2445946849596
Energy: 1.3802444934735656
Energy: 1.3421909526916225
Energy: 1.2527714122591558
Energy: 1.353619627263651
Energy: 1.3932559214470575
Energy: 1.2290175540143238
Energy: 1.3586954592213285
Energy: 1.340111558921803
Energy: 1.2529282892249884
Energy: 1.348978697990587
Energy: 1.4096338303417177
Energy: 1.2289975437968956
Energy: 1.3686177896578446
Energy: 1.346302613469929
Energy: 1.2523107864189154
Energy: 1.3540474645044798
Energy: 1.4167753354985608
Energy: 1.245686331506456
Energy: 1.3931775930718409
Energy: 1.354215815913973
Energy: 1.265064028658462
Energy: 1.34321905128809
Energy: 1.389179532338064
Energy: 1.2520250907701282
Energy: 1.3934544942155098
Energy: 1.3925597030202341
Energy: 1.3903048456764415
Energy: 1.3924840259769224
Energy: 1.3528613529232916
Energy: 1.2495385882914523
Energy: 1.3923342677522934
Energy: 1.3919061250484013
Energy: 1.265139196958231
Energy: 1.392993873556088
Energy: 1.4061252793772279
Energy: 1.2518266609072461
Energy: 1.3620734163201462
Energy: 1.3934021611901937
Energy: 1.2945325470458222
Energy: 1.3953916953385872
Energy: 1.3691498902471415
Energy: 1.2532320075136256
Energy: 1.3537832809325714
Energy: 1.3592832279797196
Energy: 1.349243156573823
Energy: 1.3518878955467029
Energy: 1.2845454651842294
Energy: 1.2534893296720437
Energy: 1.34755071875176
Energy: 1.3726004488388501
Energy: 1.350751915679898
Energy: 1.3680884905874842
Energy: 1.3428146564460326
Energy: 1.2523073675653775
Energy: 1.3453607613614358
Energy: 1.3976722350326363
Energy: 1.3503926132289534
Energy: 1.3520276100357125
Energy: 1.2858740871547947
Energy: 1.2569538369170465
Energy: 1.2876256734774136
Energy: 1.3457814570941282
Energy: 1.3554171534726118
Energy: 1.2869929495300911
Energy: 1.2860710047949653
Energy: 1.251343265707898
Energy: 1.2865524172855274
Energy: 1.2873383602264001
Energy: 1.3906718144239114
Energy: 1.2860452424875042
Energy: 1.2538385371322929
Energy: 1.249627719481648
Energy: 1.285161496747203
Energy: 1.3835702748812926
Energy: 1.3879266099056515
Energy: 1.3070607740497755
Energy: 1.28622340086395
Energy: 1.2524211950966002
Energy: 1.2845021458082715
Energy: 1.353600809454536
Energy: 1.3852492962044225
Energy: 1.25412634026603
Energy: 1.253000655341793
Energy: 1.2515099961675753
Energy: 1.2854611913984355
Energy: 1.2427826680917387
Energy: 1.4433340130356704
Energy: 1.2868608759836087
Energy: 1.2527644033263834
Energy: 1.251816524215654
Energy: 1.2875765031179738
Energy: 1.370435488772128
Energy: 1.3946492400765014
Energy: 1.3224268073172079
Energy: 1.28564024564241
Energy: 1.254544461173249
Energy: 1.2972069812380975
Energy: 1.3989984630517425
Energy: 1.350121392572511
Energy: 1.343150786865822
Energy: 1.2869149456569806
Energy: 1.2533383964934608
Energy: 1.3603490469634676
Energy: 1.3720474298204235
Energy: 1.354755796771992
Energy: 1.3698801870371968
Energy: 1.3519451662190773
Energy: 1.2487794442873523
Energy: 1.3454367702427865
Energy: 1.4059011743443763
Energy: 1.2290115606048126
Energy: 1.3479211152574941
Energy: 1.2993723760447173
Energy: 1.2503590478729425
Energy: 1.3645968931165677
Energy: 1.3935474826006893
Energy: 1.2962695184256368
Energy: 1.396187093255066
Energy: 1.3681207011529315
Energy: 1.2526587979784793
Energy: 1.3929208135455182
Energy: 1.3800788101711152
Energy: 1.2552366425677481
Energy: 1.393250506760977
Energy: 1.3939293152543422
Energy: 1.2669784457446498
Energy: 1.3939364559250975
Energy: 1.3929145391639677
Energy: 1.2500792733221024
Energy: 1.3924870200670676
Energy: 1.35210817761604
Energy: 1.2533460542834203
Energy: 1.3937079648607995
Energy: 1.3532135966035943
Energy: 1.261060475115132
Energy: 1.3604305746272034
Energy: 1.3884952673933917
Energy: 1.2371338058672927
Energy: 1.3712641248783155
Energy: 1.367765587328072
Energy: 1.2550835610801323
Energy: 1.3580683306096397
Energy: 1.3762115214173418
Energy: 1.236226700725588
Energy: 1.3568845312739493
Energy: 1.3461318557639919
Energy: 1.2527618278318557
Energy: 1.3475575630313454
Energy: 1.3639089647929796
Energy: 1.2458708331756954
Energy: 1.3560887529206993
Energy: 1.3473975350296392
Energy: 1.2526463594897033
Energy: 1.3571100131520555
Energy: 1.3934365415691563
Energy: 1.2503320254539418
Energy: 1.3473354718838948
Energy: 1.3019272098525643
Energy: 1.2524963291787794
Energy: 1.2872905023912176
Energy: 1.3846898767318485
Energy: 1.2079718538288564
Energy: 1.2864050024353817
Energy: 1.2823927744898496
Energy: 1.2527061587046835
Energy: 1.2827815130579339
Energy: 1.3768300046522726
Energy: 1.2477937127265755
Energy: 1.2841842051009928
Energy: 1.3021236887852152
Energy: 1.2494446297500574
Energy: 1.3033014345141294
Energy: 1.3866913623696517
Energy: 1.2466537719567474
Energy: 1.3540863261416087
Energy: 1.2531653590227276
Energy: 1.2519960271921327
Energy: 1.3015623350851762
Energy: 1.3829107482560081
Energy: 1.1994019623879315
Energy: 1.292207171459808
Energy: 1.2525616950428449
Energy: 1.2520811985436981
Energy: 1.2861421251210237
Energy: 1.241136746063785

minimum gb energy = 1.1994019623879315 eV
minimum distance =  2.2531755862006 Angstroms
sigma value = 33


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

Energy: 1.3245738001087055
Energy: 1.0919787486476182
Energy: 1.0224894898203274
Energy: 1.0252026529699918
Energy: 1.0546691764816627
Energy: 1.1820803967394824
Energy: 0.9933488263356881
Energy: 1.1188692262919222
Energy: 1.0049499676698834
Energy: 1.0278166208663595
Energy: 1.0149449426796322
Energy: 1.1808017503331618
Energy: 1.0169019612790602
Energy: 1.1152632316436555
Energy: 1.016068649320249
Energy: 1.181259574494353
Energy: 1.0166000508939326
Energy: 1.17994033569497
Energy: 0.9900410375423813
Energy: 1.0163464031220486
Energy: 1.0172057842395912
Energy: 1.0205358580741652
Energy: 1.0568359067408843
Energy: 1.198296361981306
Energy: 0.9835606751480939
Energy: 1.1247603133422575
Energy: 1.0190106446082166
Energy: 1.0129100422726842
Energy: 1.017668976778561
Energy: 1.1959496981255415
Energy: 1.0152885063916814
Energy: 1.188601478662873
Energy: 1.11680349925084
Energy: 1.0460950588982427
Energy: 1.1176918412880592
Energy: 1.1946246223258472
Energy: 1.0081930746744374
Energy: 1.1906041703215697
Energy: 1.1986283534640227
Energy: 1.1156214996774092
Energy: 1.1980200849870615
Energy: 1.1894333600721987
Energy: 1.0227573740743625
Energy: 1.1777369906968869
Energy: 1.1794146316575822
Energy: 1.132144875559521
Energy: 1.1752311199561494
Energy: 1.1911997893300104
Energy: 1.0110604227255033
Energy: 1.1881020157381523
Energy: 1.1930327234949878
Energy: 1.2696511178883045
Energy: 1.194278242015981
Energy: 1.1884613502737138
Energy: 1.0229467742108163
Energy: 1.1893301428312768
Energy: 1.1980103346567692
Energy: 1.161324054796824
Energy: 1.1999654219158828
Energy: 1.1894423270223118
Energy: 1.015571678792575
Energy: 1.1970890110552888
Energy: 1.1913821399070568
Energy: 1.1413600576326852
Energy: 1.1970118979148412
Energy: 1.1967309845946907
Energy: 1.0174823788496357
Energy: 1.1941275617330973
Energy: 1.1979368560237609
Energy: 1.1370523963019112
Energy: 1.2003823861921763
Energy: 1.1910045281885753
Energy: 1.0002334884661175
Energy: 1.2033961957128054
Energy: 1.1909064605839157
Energy: 1.1879274764208119
Energy: 1.1931089210328083
Energy: 1.1120365060295823
Energy: 1.012552445603755
Energy: 1.1149191834790995
Energy: 1.1820164510616247
Energy: 1.2022713159800968
Energy: 1.1806149055094375
Energy: 1.1146785275213944
Energy: 1.3364654802991323
Energy: 1.198997014873942
Energy: 1.1890418104706133
Energy: 1.1890622876205665
Energy: 1.1885223969348955
Energy: 1.1980229356632228
Energy: 1.015720715132689
Energy: 1.1152536322751103
Energy: 1.1780617466734573
Energy: 1.192223916572824
Energy: 1.1170975720104985
Energy: 1.1151687017752723
Energy: 1.0162713611485792
Energy: 1.1311787204921453
Energy: 1.1149751355201247
Energy: 1.2037820621612205
Energy: 1.1325728478886532
Energy: 1.1025225971397303
Energy: 1.1759197728424
Energy: 1.0135825858753575
Energy: 1.1179372190885315
Energy: 1.1984225099558912
Energy: 1.119102201683636
Energy: 1.0144533312750195
Energy: 1.1720993026216742
Energy: 1.0142452964614646
Energy: 1.1149855721142576
Energy: 1.1973767042602304
Energy: 1.1159582253213722
Energy: 1.0131668728337733
Energy: 1.0218651845351
Energy: 1.0148107890695692
Energy: 1.1158472261049484
Energy: 1.1975480850720626
Energy: 1.0130873119300559
Energy: 1.0110615311121138
Energy: 1.0201059275528563
Energy: 1.0641787222943953
Energy: 1.0090553972428307
Energy: 1.2122814600518539
Energy: 1.0550136494343958
Energy: 1.0168897309185494
Energy: 1.0113366081326132
Energy: 1.0153169545387064
Energy: 1.1830778602205494
Energy: 1.1894989488329544
Energy: 1.0185075453551646
Energy: 1.013489851371435
Energy: 0.9913076691395106
Energy: 1.0155719144851114
Energy: 1.1173255229891206
Energy: 1.1869068503984332
Energy: 1.014151035478206
Energy: 1.001223016114936
Energy: 1.0241390897598042
Energy: 1.055241578644524
Energy: 0.9719714861372891
Energy: 1.2012853199086133
Energy: 1.0570084421584893
Energy: 1.0195752448039659
Energy: 1.0244742617193086
Energy: 1.0159518966843342
Energy: 1.1165450692357095
Energy: 1.1996060840307503
Energy: 1.0569460458650262
Energy: 1.004668067427515
Energy: 1.180879046170787
Energy: 1.0182711183220048
Energy: 1.1812415264834113
Energy: 1.1965217372930173
Energy: 1.116579538930798
Energy: 1.0163051055673948
Energy: 1.1816835313105645
Energy: 1.0161404914077938
Energy: 1.1178891637134831
Energy: 1.2032681891138244
Energy: 1.0167314360003343
Energy: 1.016428292717698
Energy: 1.0112547525378188
Energy: 1.0584184388369118
Energy: 1.0008355255377543
Energy: 1.2054013719720211
Energy: 1.0165158885038725
Energy: 1.1402089191113192
Energy: 1.0151672348763097
Energy: 1.1168508394716934
Energy: 1.1902478808642594
Energy: 1.1910556594369588
Energy: 1.1783898497258445
Energy: 1.1169020525137037
Energy: 1.0169729636758997
Energy: 1.1979262979165597
Energy: 1.1892008359143016
Energy: 1.1879962287255137
Energy: 1.1900344715711244
Energy: 1.193127087379319
Energy: 1.0117020303617301
Energy: 1.1808151152419044
Energy: 1.1897075419252365
Energy: 1.2067587342460517
Energy: 1.1774505286764394
Energy: 1.115119908941784
Energy: 0.9996593182483225
Energy: 1.1996188689133809
Energy: 1.189390311389375
Energy: 1.1891882612579285
Energy: 1.190015007036601
Energy: 1.1977957978288976
Energy: 1.01918753130019
Energy: 1.1977135899867886
Energy: 1.1908806390555364
Energy: 1.1299427183849782
Energy: 1.2014427343097447
Energy: 1.193768188942633
Energy: 1.0189979961233986
Energy: 1.1964370575606567
Energy: 1.193791432882093
Energy: 1.3655252380056095
Energy: 1.1996578067733492
Energy: 1.1933211732450142
Energy: 1.021921702645194
Energy: 1.1970473086730287
Energy: 1.1943640042556687
Energy: 1.1909576558569812
Energy: 1.1998498435412377
Energy: 1.1908701617801816
Energy: 1.013407368411135
Energy: 1.189619900968286
Energy: 1.1992022474061697
Energy: 1.2701532183829607
Energy: 1.200136884870044
Energy: 1.189241520933008
Energy: 1.016780604505125
Energy: 1.1781334023902965
Energy: 1.1141766965544064
Energy: 1.0023824331002897
Energy: 1.1785533894477047
Energy: 1.199687199698623
Energy: 1.0063976708394444
Energy: 1.1894765347926992
Energy: 1.1930160241820054
Energy: 1.017698311931375
Energy: 1.1905041414938027
Energy: 1.1886972946264753
Energy: 1.0148808039027322
Energy: 1.1788298221283782
Energy: 1.1158377111588627
Energy: 1.0163315597397833
Energy: 1.1161557322362683
Energy: 1.1915403052364317
Energy: 0.9985581902063275
Energy: 1.016629636993567
Energy: 1.015949552165847
Energy: 1.0228234384274633
Energy: 1.0174145400860615
Energy: 1.2068728717747819
Energy: 0.9995478125154295
Energy: 1.1238391405050565
Energy: 1.0132678372021646
Energy: 1.0152643393879848
Energy: 1.0160427993016055
Energy: 1.1184037687131232
Energy: 1.0165054490896253
Energy: 1.1157903967457727
Energy: 1.0138656393336816
Energy: 1.0165025129654097
Energy: 1.0167566383706805
Energy: 1.116412506810843
Energy: 1.0061868767627826
Energy: 1.0632331458031423
Energy: 1.0172337056316885
Energy: 1.0254183645895125
Energy: 1.0145451761696078
Energy: 1.180934226201409
Energy: 0.979153419530702
Energy: 1.0551811612562914
Energy: 1.0559384140929124
Energy: 1.020972214885189
Energy: 1.0562000403377487
Energy: 1.1151703092572787
Energy: 1.004936502456722
Energy: 1.0171927795558797
Energy: 1.018152478475763
Energy: 0.9956276403512375
Energy: 1.0146805086684898
Energy: 1.1813819251436588
Energy: 1.0083633914196797
Energy: 1.0170872180482027
Energy: 1.0006314451109644
Energy: 1.0119007667971605
Energy: 1.0195529243218866
Energy: 1.1834089797743723
Energy: 0.992142449975425
Energy: 1.056906351940321
Energy: 1.018558515149207
Energy: 1.0241134448875229
Energy: 1.057806192458793
Energy: 0.9735353883281608

minimum gb energy = 0.9719714861372891 eV
minimum distance =  2.26933151223716 Angstroms
sigma value = 67


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

Energy: 0.21175648732165203
Energy: 0.2104665130643803
Energy: -0.31743119540104614
Energy: -0.3119180612472792
Energy: -0.2791215887512988
Energy: 0.2105529917674899
Energy: 0.04825438558257077
Energy: -0.386062260685944
Energy: -0.5349323950774336
Energy: -0.48206051657577403
Energy: -0.30593015952506075
Energy: -0.33869571983895874
Energy: -0.5753086806972926
Energy: -0.5067280219847582
Energy: -0.49490159073336504
Energy: -0.5250096568121266
Energy: -0.5438183425830136
Energy: -0.5217480355288797
Energy: 0.21087062466673367
Energy: -0.4814398738163054
Energy: -0.48752291251421564
Energy: -0.5036713999620915
Energy: -0.5201879062236943
Energy: 0.21006720975906412
Energy: 0.21097424433144318
Energy: -0.49923702140032267
Energy: -0.48843302018306667
Energy: -0.4808215096772712
Energy: -0.5431476516776417
Energy: 0.2102299451546007
Energy: -0.6236816653708086
Energy: -0.5044107737141229
Energy: -0.49584262639685983
Energy: -0.5471845708722216
Energy: -0.5190315093125352
Energy: -0.5122295294959571
Energy: 0.04999010468855682
Energy: -0.520514880637046
Energy: -0.5346042505285542
Energy: -0.47918084930175303
Energy: -0.5244405793278941
Energy: -0.47062691117696953

minimum gb energy = -0.6236816653708086 eV
minimum distance =  2.3969525573387 Angstroms
sigma value = 3


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

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Energy: 1.178298515567988
Energy: 1.0307974938458941
Energy: 1.0492782413250468
Energy: 1.0324868082228988
Energy: 1.2111962144823436
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Energy: 1.175506272843732
Energy: 0.8669515264190497
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Energy: 1.1880235448569674
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Energy: 0.8723072566726296
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Energy: 0.8783520552983439
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Energy: 0.8715115135758246
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Energy: 1.2037970281380235
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Energy: 1.2039466996244057
Energy: 1.2031894738317503
Energy: 0.8781713961269838
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Energy: 1.169832361107728
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Energy: 1.0260486377627196
Energy: 0.8662740817440774
Energy: 0.8651555085565312
Energy: 0.8668958177874622
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Energy: 1.2052052665942914
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Energy: 0.8665064325705732
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Energy: 1.236365911353398
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Energy: 0.8696506852259002
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Energy: 1.2042860305379608
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Energy: 1.0285577066479068
Energy: 0.8680616996233979
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Energy: 1.1851730195921342
Energy: 1.217426790321374
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Energy: 1.1881321388522206
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Energy: 1.1874300088720546
Energy: 1.205625574054733
Energy: 1.2123097800156897
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Energy: 1.2122628440106773
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Energy: 1.205586525121826
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Energy: 0.8715439534192859
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Energy: 1.208593721856803
Energy: 1.2057828207846226
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Energy: 1.211109480539455
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Energy: 1.2199282985302253
Energy: 1.2086319957576788
Energy: 0.8802817075486802
Energy: 1.2108054139320077
Energy: 1.208707807886982
Energy: 1.2001302626923744
Energy: 1.2172050402942851
Energy: 1.207757673557149
Energy: 0.862724502400568
Energy: 1.2098550080724348
Energy: 1.20841294717342
Energy: 1.2169398637201396
Energy: 1.2147218212277757
Energy: 1.2078161907138913
Energy: 0.8619439830515581
Energy: 1.209354964705121
Energy: 1.2072779030844263
Energy: 1.2115189053130975
Energy: 1.2158873565959958
Energy: 1.2077820451133903
Energy: 0.8781230739639775
Energy: 1.2106313197426557
Energy: 1.2102935131828945
Energy: 1.2062352528379752
Energy: 1.2102162675787194
Energy: 1.2150128820335329
Energy: 1.0653421689368299
Energy: 1.2053364036262035
Energy: 1.2122415012622194
Energy: 1.2053469411400002
Energy: 1.211644946357291
Energy: 1.2104964925922472
Energy: 0.867940744469112
Energy: 1.2093590332091544
Energy: 1.2117968999081628
Energy: 1.0570443892841537
Energy: 1.21692463990942
Energy: 1.2171489119121408
Energy: 0.8751683045875295
Energy: 1.205246346454191
Energy: 1.1950721064531535
Energy: 1.0532752293514145
Energy: 1.1928470306871588
Energy: 1.2052786516651501
Energy: 0.8730623869102948
Energy: 1.1863250504417873
Energy: 1.192407367923258
Energy: 1.0371072748400822
Energy: 1.187828385270959
Energy: 1.198971511222566
Energy: 0.8658416265036105
Energy: 1.1859019313175216
Energy: 1.1898948671813472
Energy: 1.0451901412142601
Energy: 1.186583498354286
Energy: 1.201198098652058
Energy: 0.8665756968440639
Energy: 1.185410640749971
Energy: 1.0512884581571145
Energy: 1.0389172746399873
Energy: 1.1858066976202344
Energy: 1.1994322802873387
Energy: 0.8707345095963573
Energy: 1.191525461124164
Energy: 1.026769112375121
Energy: 0.8719901328378243
Energy: 1.027083215440229
Energy: 1.1925087235053662
Energy: 0.8577087759300489
Energy: 1.19314401089462
Energy: 1.0266701857219156
Energy: 0.8738009477043365
Energy: 1.026581568595563
Energy: 1.1913316513616763

minimum gb energy = 0.8570442125890959 eV
minimum distance =  2.26876443847151 Angstroms
sigma value = 81


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

Energy: 0.9843584783406525
Energy: 1.4338314431922103
Energy: 0.996340199625092
Energy: 0.9964084246676314
Energy: 1.2235022179710686
Energy: 1.4709262242625574
Energy: 0.995760158695515
Energy: 1.4181624678792597
Energy: 0.9921589118601952
Energy: 0.9909404774802683
Energy: 0.9919924367316036
Energy: 1.4443279959423472
Energy: 1.0000185776639163
Energy: 1.4159536296932298
Energy: 0.9916402122664016
Energy: 0.990260951339152
Energy: 0.9916791691966691
Energy: 1.4457291532371193
Energy: 0.9902212987823514
Energy: 1.2200194153642476
Energy: 0.9937468331630901
Energy: 0.9931198746555447
Energy: 0.9952121376978329
Energy: 1.4424312388135625
Energy: 0.9904007611002508
Energy: 1.2194170780154687
Energy: 1.2193743252000875
Energy: 0.9959688850374006
Energy: 1.2192588634325572
Energy: 1.4413971421761018
Energy: 0.9987970527375805
Energy: 1.414631866930508
Energy: 1.2192703871081232
Energy: 1.0007446355369733
Energy: 1.2194853965143473
Energy: 1.415637118853138
Energy: 1.0037581590263647
Energy: 1.4353903026985866
Energy: 1.223375423443759
Energy: 0.9950533025650368
Energy: 1.2268616049439436
Energy: 1.4358798696424955
Energy: 0.982619163826025
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Energy: 0.9931896056154819
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Energy: 1.442124654067178
Energy: 0.993199799695829
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Energy: 0.9970574522575157
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Energy: 1.4416197936547603
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Energy: 1.454371808391948
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Energy: 1.450180497700214
Energy: 1.4491487548945003
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Energy: 1.4475128916552187
Energy: 0.9898292746638591
Energy: 1.450060018645999
Energy: 1.4499702235269691
Energy: 1.2542872610851787
Energy: 1.449834593416478
Energy: 1.4502565665334524
Energy: 1.0005533719456903
Energy: 1.4501981320164978
Energy: 1.4506691144741353
Energy: 1.4159192108229073
Energy: 1.4494297817304915
Energy: 1.4280736636887092
Energy: 0.9937955228210092
Energy: 1.4356038475499049
Energy: 1.4540431085223005
Energy: 1.4296921302105854
Energy: 1.445191409655845
Energy: 1.435244360743157
Energy: 0.9964998987232793
Energy: 1.4366814474754634
Energy: 1.4397929631319155
Energy: 1.477832738746517
Energy: 1.442738736113765
Energy: 1.415131010679626
Energy: 0.9928441489466057
Energy: 1.4322668220337484
Energy: 1.4477319331805625
Energy: 1.4268308451546157
Energy: 1.4386204807171599
Energy: 1.2587055090671482
Energy: 0.9937796242740435
Energy: 1.2243216067404348
Energy: 1.4357645278016098
Energy: 1.4447816462543799
Energy: 1.435074044827062
Energy: 1.2237115973473232
Energy: 0.9989699643406049
Energy: 1.2196904379392863
Energy: 1.41398013716651
Energy: 1.4445791207127567
Energy: 1.4146800740048113
Energy: 1.2199143746206877
Energy: 0.9976248272408533
Energy: 1.2196846286140173
Energy: 1.4164967738527698
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Energy: 1.2194736477123698
Energy: 1.2197085091488278
Energy: 0.9926625413107676
Energy: 0.9935369559013684
Energy: 1.4173181868605356
Energy: 1.461385975580864
Energy: 1.2202603303889892
Energy: 0.9936531041584372
Energy: 0.9890575989620068
Energy: 0.9915679931108667
Energy: 1.4160413788380037
Energy: 1.4503417471654094
Energy: 1.4192781142631223
Energy: 0.9918896137161168
Energy: 0.9901535477619153
Energy: 0.99223361898184
Energy: 1.445138714487123
Energy: 1.450063749965544
Energy: 1.2201193075078478
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Energy: 0.9956695126337775
Energy: 1.2234576367633812
Energy: 1.4528673963583194
Energy: 1.456908259795897
Energy: 1.2256002651299645
Energy: 0.995027329677452
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Energy: 1.4526993477999561
Energy: 1.2248824359699906
Energy: 1.2193914158422274
Energy: 0.9951114676080463
Energy: 1.219279631755819
Energy: 1.4436827430754418
Energy: 1.465841129458418
Energy: 1.41765411611655
Energy: 1.2191928725475711
Energy: 0.9929053808273344
Energy: 1.2546527485349594
Energy: 1.4355143347988732
Energy: 1.4611499010787206
Energy: 1.4356192372135075
Energy: 1.2306110023399957
Energy: 0.9943506897061611
Energy: 1.4398409301384105
Energy: 1.4348632029842248
Energy: 1.4583217341024652
Energy: 1.434896924245223
Energy: 1.4383949681085741
Energy: 0.9966786580412156
Energy: 1.4344498790910518
Energy: 1.4344363449670783
Energy: 1.2610661012962037
Energy: 1.4358038384658647
Energy: 1.4342866425786185
Energy: 1.0031402400033858
Energy: 1.432167035198631
Energy: 1.4515576680114648
Energy: 1.4432235016147072
Energy: 1.4510306977402991
Energy: 1.4328631171593003
Energy: 0.994360114492194
Energy: 1.4619412261399416
Energy: 1.449110790678665
Energy: 0.9886690199523175
Energy: 1.4469459459668945
Energy: 1.453407655505365
Energy: 0.981896037395121
Energy: 1.4506022471877675
Energy: 1.4619568729420185
Energy: 1.2548901893227482
Energy: 1.4497139555993273
Energy: 1.419085773944837
Energy: 0.9911074188546416
Energy: 1.4509430735471036
Energy: 1.429628318378253
Energy: 1.2362061494140097
Energy: 1.4461918933674551
Energy: 1.4512517767910977
Energy: 0.9973735025922169
Energy: 1.4343098354829178
Energy: 1.439928523254228
Energy: 1.2276409501072678
Energy: 1.435523292108774
Energy: 1.4423714761345392
Energy: 0.9889248267266101
Energy: 1.4347860447836351
Energy: 1.4396581513746576
Energy: 0.9971072342913319
Energy: 1.4346863759760586
Energy: 1.448812989958826
Energy: 0.9684756373178844
Energy: 1.4364833634503948
Energy: 1.2557326026446523
Energy: 0.993241600617148
Energy: 1.4353189057109523
Energy: 1.4759497314689523
Energy: 0.994592344452959
Energy: 1.4435290552527158
Energy: 1.219867568287892
Energy: 0.9976811162856688
Energy: 1.2203623115168027
Energy: 1.4439664035446753
Energy: 0.9923645392832768
Energy: 1.4194796807338896
Energy: 1.2199998474663216
Energy: 1.0006213052250628
Energy: 1.2203656908547829
Energy: 1.4430769308693536
Energy: 0.9736123918984975
Energy: 1.2240443898819553
Energy: 1.2232110792383706
Energy: 0.9955756661542049
Energy: 1.22290327779435
Energy: 1.459181594360463

minimum gb energy = 0.9684756373178844 eV
minimum distance =  2.29486442023827 Angstroms
sigma value = 43


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

Energy: 1.0962626432169407
Energy: 1.0827640345290328
Energy: 1.0847513476720214
Energy: 1.0840281431638334
Energy: 1.370138298827745
Energy: 1.6630537243869883
Energy: 1.0826897909808861
Energy: 1.6035922078406215
Energy: 1.080743401022369
Energy: 1.0801652752022488
Energy: 1.0806576874443774
Energy: 1.6224242580017887
Energy: 0.9773690140454877
Energy: 1.599592211252064
Energy: 1.0798952256934937
Energy: 1.078586323247751
Energy: 1.0796579353247087
Energy: 1.5915320422888901
Energy: 1.0677778029272724
Energy: 1.3671302600214619
Energy: 1.0830296422575838
Energy: 1.0839161081046753
Energy: 1.0835655935511637
Energy: 1.6455816170012378
Energy: 1.0699192443958756
Energy: 1.3659504816045362
Energy: 1.3656113065243938
Energy: 1.0852810222906577
Energy: 1.3657091473925942
Energy: 1.633778575272383
Energy: 0.9919636304174991
Energy: 1.5979736961594782
Energy: 1.366025091012697
Energy: 1.0891197910634494
Energy: 1.3661453319208026
Energy: 1.6303898244371298
Energy: 1.0818740877394077
Energy: 1.621436435663048
Energy: 1.3696288842342954
Energy: 1.0813395347883379
Energy: 1.3717739330099878
Energy: 1.6210969487915516
Energy: 1.0710757894417369
Energy: 1.6226812276671214
Energy: 1.6153187880743203
Energy: 1.080451101330776
Energy: 1.616308010575137
Energy: 1.6158480918993885
Energy: 1.0843718292151978
Energy: 1.6326527303452802
Energy: 1.6162269254120198
Energy: 1.0866696826715099
Energy: 1.6174523243997214
Energy: 1.6182740354581702
Energy: 1.0790266526356092
Energy: 1.6134632704711585
Energy: 1.6194133805574624
Energy: 1.0891042447157755
Energy: 1.6189249647834199
Energy: 1.6153248324902192
Energy: 1.0827476094956887
Energy: 1.6188052542539653
Energy: 1.6258703227603082
Energy: 1.0783595847953125
Energy: 1.620595440289089
Energy: 1.5961317394840577
Energy: 1.0815858685069561
Energy: 1.6204799811986847
Energy: 1.6198888835974559
Energy: 1.0779063863318838
Energy: 1.620455211973336
Energy: 1.619024315618741
Energy: 1.080625014183649
Energy: 1.4115159380520998
Energy: 1.629095111357015
Energy: 1.3643511554409558
Energy: 1.6212250012884843
Energy: 1.3785304186432474
Energy: 1.084086683818184
Energy: 1.3660672738877586
Energy: 1.6326444560221955
Energy: 1.4111188781124457
Energy: 1.6056888128073499
Energy: 1.3659921601701546
Energy: 1.0887672872386893
Energy: 1.3666191237127028
Energy: 1.5939702070792654
Energy: 1.6204086460296832
Energy: 1.3711962010026784
Energy: 1.3664724415332998
Energy: 1.085669618566254
Energy: 1.3700283505526267
Energy: 1.6074599781183914
Energy: 1.618701246981438
Energy: 1.3702146846712355
Energy: 1.0837617152514336
Energy: 1.0796957077693392
Energy: 1.0811491066037784
Energy: 1.6287328164703971
Energy: 1.40991094854953
Energy: 1.366064173641864
Energy: 1.081144800704524
Energy: 1.0773867855894361
Energy: 1.0796439702358347
Energy: 1.599081133511895
Energy: 1.632347364647624
Energy: 1.3718696393943652
Energy: 1.0798853647984092
Energy: 1.082460676179807
Energy: 1.0825098921953609
Energy: 1.3663920152287143
Energy: 1.0647513671165643
Energy: 1.3661945693821425
Energy: 1.0824923292960316
Energy: 1.0852282958971713
Energy: 1.3662818542146484
Energy: 1.3671659426970477
Energy: 1.670771399152946
Energy: 1.3666422006922534
Energy: 1.3665456043612303
Energy: 1.0889437209572375
Energy: 1.3668897193832295
Energy: 1.5980250900279598
Energy: 1.4153854073028496
Energy: 1.366304298596092
Energy: 1.36666088868901
Energy: 1.081410801367969
Energy: 1.3685101670080855
Energy: 1.621968885430375
Energy: 1.4095475546127694
Energy: 1.6212548768569806
Energy: 1.3684673339386155
Energy: 1.0799699036388994
Energy: 1.6151399445648724
Energy: 1.6343301130711798
Energy: 1.3635842243007332
Energy: 1.6347097499770578
Energy: 1.4144941349346154
Energy: 1.0846194851995445
Energy: 1.6182135925635242
Energy: 1.6329198007585672
Energy: 1.087071271743747
Energy: 1.6213236087665042
Energy: 1.5959934160652105
Energy: 1.0806922057783124
Energy: 1.6181586723253834
Energy: 1.6136967005543692
Energy: 1.0802662503800318
Energy: 1.6169374927036508
Energy: 1.620594993220846
Energy: 1.0824567768366078
Energy: 1.6176751492974673
Energy: 1.6197960059154148
Energy: 1.4091622370369088
Energy: 1.619949013055946
Energy: 1.6132799119077075
Energy: 1.066183556776318
Energy: 1.62030663954308
Energy: 1.6196693682796521
Energy: 1.0889386287423413
Energy: 1.6215424686526625
Energy: 1.620126696006459
Energy: 1.0679852281597082
Energy: 1.6216815455328124
Energy: 1.412208734000481
Energy: 1.080725378067316
Energy: 1.615722398637549
Energy: 1.6042430680205928
Energy: 1.0850632133724873
Energy: 1.6205043950083342
Energy: 1.366450507778009
Energy: 1.0832464903197798
Energy: 1.3666995537085251
Energy: 1.6322964656002097
Energy: 1.0855356003267225
Energy: 1.6010763974700926
Energy: 1.367231034616246
Energy: 1.0870938403841552
Energy: 1.3687446889812787
Energy: 1.6332038110099385
Energy: 1.0479968899167045
Energy: 1.3691334791032694
Energy: 1.3685389370065941
Energy: 1.0849818314281356
Energy: 1.3687218389576605
Energy: 1.6279673333155256

minimum gb energy = 0.9773690140454877 eV
minimum distance =  2.30041329938597 Angstroms
sigma value = 57


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

Energy: 2.5030864298736453
Energy: 1.8932866399725612
Energy: 1.2035488805152783
Energy: 1.2031122706268622
Energy: 1.2050223286641621
Energy: 1.1980837370344146
Energy: 1.1848331701025716
Energy: 1.568863754916852
Energy: 1.1974097875516494
Energy: 1.1972732603125462
Energy: 1.197198730027722
Energy: 1.879238469736616
Energy: 1.1972808130223938
Energy: 1.8939576814157213
Energy: 1.1965711759378637
Energy: 1.195848391104728
Energy: 1.1964306638515758
Energy: 1.8704205566944672
Energy: 1.1864728328208851
Energy: 1.5693408663722064
Energy: 1.1994898995585048
Energy: 1.201013702402683
Energy: 1.19963965059796
Energy: 1.1822387416022562
Energy: 1.1859090541117443
Energy: 1.5686558177232648
Energy: 1.5688012071048139
Energy: 1.2047399951679005
Energy: 1.5686151942558257
Energy: 1.1792684452728368
Energy: 1.1979219023673668
Energy: 1.8753539148602736
Energy: 1.56953642052881
Energy: 1.2021730788098708
Energy: 1.5697588567441354
Energy: 1.6096545014987724
Energy: 1.1987188990587838
Energy: 1.879303797514671
Energy: 1.5717207272035731
Energy: 1.2009485635108716
Energy: 1.5713863115287174
Energy: 1.6051880771913312
Energy: 1.186354456071303
Energy: 1.8756054024845488
Energy: 1.6114370050921318
Energy: 1.200364543096075
Energy: 1.8920153999118436
Energy: 1.8730204296963535
Energy: 1.1995557302609277
Energy: 1.8915838996527348
Energy: 1.8872076570682061
Energy: 1.1958952297551382
Energy: 1.8741908013168218
Energy: 1.6110689572055434
Energy: 1.2010699530212947
Energy: 1.572828330196999
Energy: 1.8786660124659584
Energy: 1.198766756820489
Energy: 1.8802941668668507
Energy: 1.202123163443147
Energy: 1.2070083092802533
Energy: 1.5694834825511192
Energy: 1.8917195319291302
Energy: 1.197802181936
Energy: 1.5684211742982996
Energy: 1.2006427993819673
Energy: 1.205862970925834
Energy: 1.5687901286263208
Energy: 1.5687895124019646
Energy: 1.1857512316438892
Energy: 1.5687451275449031
Energy: 1.2008173494855097
Energy: 1.20108579842544
Energy: 1.2000383921310673
Energy: 1.8893838432278467
Energy: 1.193628065095173
Energy: 1.570266521825404
Energy: 1.199937573169185
Energy: 1.1955281964038464
Energy: 1.196494397657092
Energy: 1.8719116602781662
Energy: 1.197627329896154
Energy: 1.5714051360652168
Energy: 1.196578675713417
Energy: 1.196228441229476
Energy: 1.1970471653780783
Energy: 1.8726935338040573
Energy: 1.1985514674723774
Energy: 1.5694971272176064
Energy: 1.1971466187512592
Energy: 1.2039022090258753
Energy: 1.2016431071389364
Energy: 1.9011100955304683
Energy: 1.1818773148174901
Energy: 1.5722536511594767
Energy: 1.2015099986628253
Energy: 1.2060245681722621
Energy: 1.5683867790865205
Energy: 1.5688083483153863
Energy: 1.199158044176493
Energy: 1.568457750131737
Energy: 1.5689851692930115
Energy: 1.2042578408344589
Energy: 1.5684081558851222
Energy: 1.8747717422420465
Energy: 1.1979863056868998
Energy: 1.5681178759243843
Energy: 1.5686837789664676
Energy: 1.1999018521493792
Energy: 1.20322779228021
Energy: 1.8759811397116175
Energy: 1.20736698144208
Energy: 1.8783032320793933
Energy: 1.2029121111144725
Energy: 1.2007536977512074
Energy: 1.8776273254471292
Energy: 1.8745256449326875
Energy: 1.2091528922165846
Energy: 1.8777504683417965
Energy: 1.6069354025018958
Energy: 1.1915927379102342
Energy: 1.8758646475792482
Energy: 1.6076565474888802
Energy: 1.199818037808835
Energy: 1.874628904985193
Energy: 1.191322625364725
Energy: 1.1986795602837903
Energy: 1.8802713843020584
Energy: 1.5699731990666532
Energy: 1.2027001570986977
Energy: 1.5694977771948206
Energy: 1.6069928096027393
Energy: 1.1973132899434422
Energy: 1.8634447396717817
Energy: 1.5714184948995709
Energy: 1.202037569524853
Energy: 1.5724151696962223
Energy: 1.8914448556313685
Energy: 1.181819424294285
Energy: 1.5709057096968666
Energy: 1.2048299283574462
Energy: 1.2051454305332545
Energy: 1.5701828736848307
Energy: 1.8736544771898767

minimum gb energy = 1.1792684452728368 eV
minimum distance =  2.27961078943895 Angstroms
sigma value = 17


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

Energy: 3.411178458226683
Energy: 2.261098470610155
Energy: 1.363458787608611
Energy: 1.362739312966821
Energy: 1.3605742997386499
Energy: 2.261294256896218
Energy: 1.3474482837733082
Energy: 1.850847615811228
Energy: 1.3550583962559761
Energy: 1.356346194031945
Energy: 1.3547811842211956
Energy: 1.3570741166652713
Energy: 1.360453035754397
Energy: 1.8557313738240226
Energy: 1.3542287308964036
Energy: 1.3546119169868236
Energy: 1.3539229175015617
Energy: 1.359188291663853
Energy: 1.3414737323816779
Energy: 1.8500364931808693
Energy: 1.3578311348360699
Energy: 1.3623834303859919
Energy: 1.3578248358136435
Energy: 1.4756589022789917
Energy: 1.3411973203095522
Energy: 1.8498256239235948
Energy: 1.3582189814577346
Energy: 1.3635091083566757
Energy: 1.8500592938317564
Energy: 1.4725721529901308
Energy: 1.361066873753347
Energy: 1.4733054383331106
Energy: 1.8541598290842751
Energy: 1.3490069377253229
Energy: 1.8537334665306813
Energy: 1.3587698541728876
Energy: 1.3645001186083878
Energy: 1.8509057625529473
Energy: 1.3581442755745454
Energy: 1.3626219011672702
Energy: 1.4741800910052252
Energy: 1.3576897224818507
Energy: 1.3667074187340928
Energy: 1.8529357768002808
Energy: 1.8634055964692855
Energy: 1.361777053697127
Energy: 1.8537067911214191
Energy: 1.3569356126081111
Energy: 1.3653784735634957
Energy: 1.3581559627280593
Energy: 1.348249354794889
Energy: 1.347731104907163
Energy: 1.850382237608664
Energy: 1.3599562461060706
Energy: 1.3572263071058264
Energy: 1.355709221517155
Energy: 1.4750187200153742
Energy: 1.3485945875856404
Energy: 1.8495720418401325
Energy: 1.3559518032380669
Energy: 1.3529731994957526
Energy: 1.3538796021253665
Energy: 1.3583189201673873
Energy: 1.3603809968980678
Energy: 1.3535224918524535
Energy: 1.3540501800029847
Energy: 1.3582512422851194
Energy: 1.3565091353685068
Energy: 1.4747524548218909
Energy: 1.3450477848617186
Energy: 1.8497454949968721
Energy: 1.3565762185034775
Energy: 1.3647097247417717
Energy: 1.8512037271526225
Energy: 1.4737678642536993
Energy: 1.342824163730679
Energy: 1.849943867016998
Energy: 1.360802922704285
Energy: 1.349437144660985
Energy: 1.8546598282
Energy: 1.862923878716339
Energy: 1.361331550624977
Energy: 1.8565133431391918
Energy: 1.3455926542850583
Energy: 1.3632076997197855
Energy: 1.8510676600132705
Energy: 1.3581595506567075
Energy: 1.3633775496775877
Energy: 1.4738579699405718
Energy: 1.3575707709065639
Energy: 1.3606863859706324
Energy: 1.4735162299124689
Energy: 1.8565266195375323
Energy: 1.3563959918259647
Energy: 1.8544523904602135
Energy: 1.3582345252215227
Energy: 1.347925629695898
Energy: 1.849396532771381
Energy: 1.3590680005247158
Energy: 1.365591939387705
Energy: 1.8504259313355405
Energy: 1.347994702783979

minimum gb energy = 1.3411973203095522 eV
minimum distance =  2.30530472232615 Angstroms
sigma value = 17


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

Energy: 1.4811374398662218
Energy: 1.2937762006822493
Energy: 1.393188877764072
Energy: 1.2952423592948494
Energy: 1.2956239219152903
Energy: 1.2943855183557291
Energy: 1.4797381085350125
Energy: 1.3854532132273707
Energy: 1.385163407986629
Energy: 1.3866956470063128
Energy: 1.3853665786631317
Energy: 1.378902134535291
Energy: 1.3905044846365304
Energy: 1.688928328089901
Energy: 1.3850091166411973
Energy: 1.385223289821758
Energy: 1.3844953374018902
Energy: 1.2934168523157274
Energy: 1.46699430351446
Energy: 1.3816735798283415
Energy: 1.388238743692403
Energy: 1.3913306977629207
Energy: 1.3872345102015031
Energy: 1.670706208479319
Energy: 1.3948657904930641
Energy: 1.6667596372778444
Energy: 1.3923329362975045
Energy: 1.3948885417966987
Energy: 1.3818446324465952
Energy: 1.668729619346953
Energy: 1.3895927190162503
Energy: 1.3884519985908341
Energy: 1.2892049271896309
Energy: 1.2945493801486858
Energy: 1.3832612475076986
Energy: 1.389431842293701
Energy: 1.385083722491088
Energy: 1.3851392174298602
Energy: 1.3794085111945174
Energy: 1.3931699021771382
Energy: 1.3869889045725399
Energy: 1.3850151145741247
Energy: 1.3852782595971833
Energy: 1.3847704812366426
Energy: 1.387030443986017
Energy: 1.3867674460323154
Energy: 1.384608282179273
Energy: 1.3850996931031143
Energy: 1.3917862492253994
Energy: 1.3869135322960393
Energy: 1.6872673813592962
Energy: 1.38649714147608
Energy: 1.3874869930880591
Energy: 1.3882186474748885
Energy: 1.788436755668107
Energy: 1.3862690503936137
Energy: 1.3874044698413277
Energy: 1.4837565796193897
Energy: 1.3854024082923804
Energy: 1.3862742001264723
Energy: 1.5632602250068532
Energy: 1.3850760694027595
Energy: 1.2948972156315022
Energy: 1.39037703815258
Energy: 1.3878372640115104
Energy: 1.3853061790699635
Energy: 1.7897531976109728
Energy: 1.3865445518038253
Energy: 1.2916453102606285
Energy: 1.2979735293948862
Energy: 1.2916713698096187
Energy: 1.3876098786605109
Energy: 1.4895244849082092
Energy: 1.291816177299066
Energy: 1.2912898063398195
Energy: 1.3786099981287798
Energy: 1.2913922663724475
Energy: 1.3947786738693384
Energy: 1.2962207289399827
Energy: 1.293400150231095
Energy: 1.2943795912577654
Energy: 1.2948359830512324
Energy: 1.2950432626563673
Energy: 2.0209488382768535
Energy: 1.483561584356534
Energy: 1.2916521539142076
Energy: 1.2912177257152715
Energy: 1.2928760100176344
Energy: 1.2912411273817368
Energy: 1.6857247090331897
Energy: 1.4870783720426441
Energy: 1.2907683402542367
Energy: 1.290660138982913
Energy: 1.2910551963859551
Energy: 1.2909896055357386
Energy: 1.2954525427310384
Energy: 1.390278189480292
Energy: 1.2923573505372905
Energy: 1.2924790515669353
Energy: 1.2943326001935893
Energy: 1.292123849640331
Energy: 1.6691892213207504
Energy: 1.3845275178792082
Energy: 1.6880476413880614
Energy: 1.2925731734337589
Energy: 1.6995011971424583
Energy: 1.2927249663741731
Energy: 1.6690088891427153
Energy: 1.4884355640435571
Energy: 1.7585429443156253
Energy: 1.2912854453213276
Energy: 1.2921980541655445
Energy: 1.2914079035390675
Energy: 1.390938999926167
Energy: 1.788964425154961
Energy: 1.3857664370009024
Energy: 1.2926135446189975
Energy: 1.7006508560815319
Energy: 1.6886795805317854
Energy: 1.3863779785590566
Energy: 1.5638637418060308
Energy: 1.3855109792763032
Energy: 1.6913218774811618
Energy: 1.3883186013776447
Energy: 1.38672579571316
Energy: 1.3855029948448432
Energy: 1.3933295966914245
Energy: 1.3877614342893816
Energy: 1.2913805017462268
Energy: 1.4761091033843767
Energy: 1.386462195591313
Energy: 1.387964334349165
Energy: 1.3880918118865537
Energy: 1.3861292273758863
Energy: 1.387374062341179
Energy: 1.83584344430923
Energy: 1.3862082580471857
Energy: 1.3862526233198662
Energy: 1.3841312893980153
Energy: 1.3851252101346267
Energy: 1.2949930006670636
Energy: 1.3909524272388205
Energy: 1.3865747513122357
Energy: 1.3840868758802007
Energy: 1.387684656039007
Energy: 1.3864106235873555
Energy: 1.6674991789790108
Energy: 1.7017777745138285
Energy: 1.6662611935084959
Energy: 1.386462658120648
Energy: 1.3933449118413817
Energy: 1.3803750332359428
Energy: 1.6693292051862714
Energy: 1.2922181320873505
Energy: 1.3834406578471476
Energy: 1.3902477857768112
Energy: 1.298457742451029
Energy: 1.3828357501531914
Energy: 1.390434667196113
Energy: 1.3924335380454917
Energy: 1.38227102404181
Energy: 1.2894534991354916
Energy: 1.2951205031135007
Energy: 1.3809975739667908
Energy: 1.38611165531056
Energy: 1.387987524157567
Energy: 1.3854837365241415
Energy: 1.668787563279293
Energy: 1.3894404194859147
Energy: 1.3853308669774633
Energy: 1.384302931802739
Energy: 1.3909887531947989
Energy: 1.3835118567549487
Energy: 1.2950669717034935
Energy: 1.3811422635762844
Energy: 1.3870566708085252
Energy: 1.3861926582558313
Energy: 1.3887147927936465
Energy: 1.3864974308271008
Energy: 1.476376687926707
Energy: 1.3854856961534003
Energy: 1.3860886854958694
Energy: 1.3874287096724087
Energy: 1.4882764384498661
Energy: 1.387515022549915
Energy: 1.4759957587988304
Energy: 1.3877855642031625
Energy: 1.3850433297839977
Energy: 1.3854915479819048
Energy: 1.3864010627576648
Energy: 1.3851148782001785
Energy: 1.2958879940851156
Energy: 1.7004592338691813
Energy: 1.2928330634336105
Energy: 1.386549331308539
Energy: 1.3877487144325327
Energy: 1.3858588682492483
Energy: 1.292582821768181
Energy: 1.8786640204924143
Energy: 1.2915613291116796
Energy: 1.3894295727825954
Energy: 1.4884815528696798
Energy: 1.6881467357926119
Energy: 1.2914275942128228
Energy: 1.3932416006777302
Energy: 1.292746263365021
Energy: 2.0143821541482194
Energy: 1.2944789035381328
Energy: 1.2924588127544472
Energy: 1.2929969821427214
Energy: 1.2932780935976587
Energy: 1.2922515638391685
Energy: 1.6865832832399055
Energy: 1.2946022144820681
Energy: 1.2922302002956236
Energy: 1.2922139448584673
Energy: 1.2895029852951474
Energy: 1.290957919439192
Energy: 1.295265321913174
Energy: 1.4877934477744807
Energy: 1.290683322677783
Energy: 1.2916669840911967
Energy: 1.291917157912125
Energy: 1.2913910736920797
Energy: 1.6869951438281032
Energy: 1.791147530492556
Energy: 1.2914004053943535
Energy: 1.2912958626161082
Energy: 1.29504005753624
Energy: 1.2948555079153286
Energy: 1.3792203792182605
Energy: 1.389824159381398
Energy: 1.2935182572989192
Energy: 1.294789466574579
Energy: 1.6411866048963746
Energy: 1.2914543745178082
Energy: 1.476363080089734
Energy: 1.4903023896164127
Energy: 1.2917512913087486
Energy: 1.2911224549077969
Energy: 1.4763070439725017
Energy: 1.2918656371062878
Energy: 1.3869535344698976
Energy: 1.7897819627694584
Energy: 1.386068027924179
Energy: 1.2916036664993933
Energy: 1.391962959954339
Energy: 1.9971765093193756
Energy: 1.3853651350669567
Energy: 1.385815227346616
Energy: 1.3851120858039678
Energy: 1.294668891428717
Energy: 1.7936535209510767
Energy: 1.3877812917942085
Energy: 1.386524019239503
Energy: 1.5669276657076492
Energy: 1.3862989839181517
Energy: 1.2902758678667943

minimum gb energy = 1.2892049271896309 eV
minimum distance =  2.31990562999904 Angstroms
sigma value = 57


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

Energy: 2.874925358309873
Energy: 1.1322817594108106
Energy: 1.3189673749582045
Energy: 1.3207526224656065
Energy: 1.3193451920126245
Energy: 1.1332892289898129
Energy: 1.4992860453032908
Energy: 1.325756946815541
Energy: 1.3258021706159882
Energy: 1.3295364825092788
Energy: 1.3258482614960811
Energy: 1.278642861807753
Energy: 1.3259543521452526
Energy: 1.2298733510910536
Energy: 1.3261642340633824
Energy: 1.3297409613914861
Energy: 1.328258759113588
Energy: 1.3208172422930744
Energy: -0.028751830102549152
Energy: 1.2298766713614782
Energy: 1.3226478670554278
Energy: 1.328270816265663
Energy: 1.3215731759455216
Energy: 1.2113828625845335
Energy: 1.31690841628513
Energy: 1.2243317094006687
Energy: 1.2141075387505664
Energy: 1.1387090335386638
Energy: 1.2283506509533446
Energy: 1.215882525309077
Energy: 1.3262396999124442
Energy: 1.3198842131123782
Energy: 1.1520095599515277
Energy: 1.163117729498009
Energy: 1.2264694600408916
Energy: 1.3203209759420733
Energy: 1.3296739911126736
Energy: 1.3256866015877649
Energy: 1.2123184788873964
Energy: 1.3242877917828324
Energy: 1.3176982116833564
Energy: 1.326124930598981
Energy: 1.3294375300506072
Energy: 1.3258346692902585
Energy: 1.3260833737834996
Energy: 1.3297392687218579
Energy: 1.3263179879599298
Energy: 1.326005049850699
Energy: 1.3263235686424544
Energy: 1.320614360715946
Energy: 1.218760482162351
Energy: 1.2205430462909201
Energy: 1.3197875444406013
Energy: 1.3208894613875868
Energy: 1.317843487794853
Energy: 1.3241123091825324
Energy: 1.3244040333046068
Energy: 1.321993310190921
Energy: 1.3229737255046592
Energy: 1.3241914541099984
Energy: 1.495280901231938
Energy: 1.3278568452757815
Energy: 1.3134714389992066
Energy: 1.3277408625820994
Energy: 0.16101129262257918
Energy: 1.328077156111138
Energy: 1.32451330209215
Energy: 1.3217267805826602
Energy: 1.325736036133146
Energy: 1.3285224193528262
Energy: 1.3276827729537028
Energy: 1.3223021982417318
Energy: 1.3305079296912594
Energy: 1.3240885596223937
Energy: 1.3260967863299251
Energy: 1.3292039199407084
Energy: 1.3254317756865028
Energy: 1.2966215232781833
Energy: 0.1412525841919687
Energy: 1.3159359647142752
Energy: 1.3153793674762304
Energy: 1.3251785996328258
Energy: 1.3137571336778409
Energy: 1.1271989037660677
Energy: 1.4949873121620452
Energy: 1.3250880695349687
Energy: 1.3254048432272891
Energy: 1.3299474342037247
Energy: 1.325461154063774
Energy: 1.3238683618936302
Energy: 1.326545379629891
Energy: 1.2276397730835324
Energy: 1.326412560072882
Energy: 1.3301977896399395
Energy: 1.3268229180453635
Energy: 1.3195704160861845
Energy: 0.12420892862915188
Energy: 1.2310756489951247
Energy: 1.3234765391690455
Energy: 1.3288210796275477
Energy: 1.324949664670566
Energy: 1.2133190224281138
Energy: 1.3101214359273488
Energy: 1.2253395832660243
Energy: 1.214032913111696
Energy: 1.3217867400522514
Energy: 1.2275094429564748
Energy: 1.213858251238513
Energy: 1.325335059964922
Energy: 0.5760514308825181
Energy: 1.1510034083774734
Energy: 1.1639437656859324
Energy: 1.2252180158242343
Energy: 1.3189939743972503
Energy: 1.3292561763400914
Energy: 1.325623321118911
Energy: 1.2126315974670527
Energy: 1.325353999475942
Energy: 1.2288752134680658
Energy: 1.3258080668978773
Energy: 1.3296734428268862
Energy: 1.3261489666392445
Energy: 1.325974069726732
Energy: 1.3293868411883067
Energy: 1.3263854239812034
Energy: 1.3259920724729308
Energy: 1.3269029544425763
Energy: 1.3218900730747145
Energy: 1.2188952902494166
Energy: 1.3301478604926946
Energy: 1.3222323620850596
Energy: 1.322452633999624
Energy: 1.3192994645684932
Energy: 1.3233709856137754
Energy: 1.3237366388564684
Energy: -0.010244390445416755
Energy: 1.3216183946250855
Energy: 1.3235497947407655
Energy: 1.495878391232682
Energy: 1.3259768228561188
Energy: 1.3091317853916926
Energy: 1.3280959690624452
Energy: 0.016964682625588548
Energy: 1.3281471942108278
Energy: 1.3230827195147783
Energy: 1.3233472592272668
Energy: 1.3252440047391494
Energy: 1.3296401143054162
Energy: 1.3236724419968358
Energy: 1.3230848334764929
Energy: 1.329728215899649
Energy: 1.323624004884681
Energy: 1.3266974569452334
Energy: 1.3299732236683306
Energy: 1.3260334623586127
Energy: 1.310543705668506
Energy: 0.11763909882865502
Energy: 1.317188185421532
Energy: 1.3135988019267495
Energy: 1.3242384135885297
Energy: 1.31989862566617
Energy: 1.1309012621068926

minimum gb energy = -0.028751830102549152 eV
minimum distance =  2.3683178480672 Angstroms
sigma value = 43


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

Energy: 3.7982916674605867
Energy: 1.3893483105666966
Energy: 1.411049427584777
Energy: 1.4106957978138788
Energy: 1.4120793966628769
Energy: 1.3781205724379562
Energy: 1.1322989300794999
Energy: 1.4730648484799826
Energy: 1.4727454625387297
Energy: 1.4766404056608322
Energy: 1.4729569740513813
Energy: 1.828971785616926
Energy: 1.5843118496831925
Energy: 1.4730855721857752
Energy: 1.472347359420112
Energy: 1.4747798517483273
Energy: 1.472130474112191
Energy: 1.4751058357043016
Energy: 1.585157147105777
Energy: 1.3812047888257573
Energy: 1.475791232481176
Energy: 1.4765255665767363
Energy: 1.791319122439589
Energy: 1.3793460819450287
Energy: 1.5846410118196161
Energy: 1.3797961868704314
Energy: 1.4738586634505901
Energy: 1.5642607245570097
Energy: 1.4739846235329666
Energy: 1.3797156261583652
Energy: 1.3826583606487324
Energy: 1.3819842143249423
Energy: 1.37846647237033
Energy: 1.3789990825908702
Energy: 1.3807155976101637
Energy: 1.3818396280436487
Energy: 1.3805398282431744
Energy: 1.3787233803491943
Energy: 1.474349153286161
Energy: 1.4743574319910586
Energy: 1.3786878135690235
Energy: 1.3789730899401529
Energy: 1.3796544389886964
Energy: 1.3784740810489338
Energy: 1.4745655908387554
Energy: 1.475039936023178
Energy: 1.3786395539051475
Energy: 1.378683162894937
Energy: 1.381998243092977
Energy: 1.3813539479334396
Energy: 1.4736361361414558
Energy: 1.3779126203822105
Energy: 1.3796799406823845
Energy: 1.3813017062685864
Energy: 1.5860554220947232
Energy: 1.3800695106573515
Energy: 1.4737390641877532
Energy: 1.5838382752173754
Energy: 1.4735425404295595
Energy: 1.379985034769746
Energy: 1.564470473028688
Energy: 1.3814199412462451
Energy: 1.4758057383416163
Energy: 1.4759252408939423
Energy: 1.4724257272815862
Energy: 1.3777170758688382
Energy: 1.5845692072870154
Energy: 1.3800634553241955
Energy: 1.4725448210588459
Energy: 1.475293032168405
Energy: 1.4725645458433343
Energy: 1.4751808344031485
Energy: 1.4739012422458162
Energy: 1.4727738562327748
Energy: 1.47256666064672
Energy: 1.475748103186061
Energy: 1.4725722951411742
Energy: 1.4769401879238444
Energy: 1.5266222570379653
Energy: 1.4742156640217836
Energy: 1.4761303066884988
Energy: 1.4761830699075722
Energy: 1.4760792300210146
Energy: 1.4711223579200283
Energy: 1.4715296793515085
Energy: 1.472282472138985
Energy: 1.4735005174147329
Energy: 1.4746947784955249
Energy: 1.4732212056282363
Energy: 1.4725454919512946
Energy: 1.5842376396493922
Energy: 1.4740227149114677
Energy: 1.4724678657821446
Energy: 1.47461475929397
Energy: 1.4725753573792937
Energy: 1.4752497026976192
Energy: 1.587254808258392
Energy: 1.4725796840364773
Energy: 1.4749442973445053
Energy: 1.5845346889993714
Energy: 1.6577469903578224
Energy: 1.4725732317378717
Energy: 1.5868173479907695
Energy: 1.472747048677885
Energy: 1.4723293362421548
Energy: 0.4703111469963803
Energy: 1.4724692111170568
Energy: 1.4734568634505192
Energy: 1.4106000980944073
Energy: 0.7266375962182702
Energy: 1.3838086118200184
Energy: 1.3784289203050208
Energy: 0.7269828009289382
Energy: 1.41054942699582
Energy: 1.4755240812144996
Energy: 1.472768891857965
Energy: 1.4725865384376142
Energy: 1.379163991173863
Energy: 1.4728682833717812
Energy: 1.4729065115176758
Energy: 1.4735432222835816
Energy: 1.4723517740724086
Energy: 1.3808709798575975
Energy: 1.5845150475027114
Energy: 1.4717764021703281
Energy: 1.4725003672876278
Energy: 1.4764200196020585
Energy: 1.4755368621101734
Energy: 1.380582818892261
Energy: 1.3796233813258556
Energy: 1.3815688414558365
Energy: 1.4756194124851605
Energy: 1.5645209138118843
Energy: 1.4739515395667846
Energy: 1.3797994776704139
Energy: 1.4742773917542182
Energy: 1.3829852547082946
Energy: 1.4735178854949396
Energy: 1.5658033620065128
Energy: 1.826604612172872
Energy: 1.3819316445628698
Energy: 1.382773081483636
Energy: 1.3813211837841808
Energy: 1.3778535351662615
Energy: 1.4742050671822613
Energy: 1.4744598562416535
Energy: 1.3788667277628597
Energy: 1.3815352673928478
Energy: 1.3786163916445662
Energy: 1.584166293651841
Energy: 1.4750807426874786
Energy: 1.3818568603532735
Energy: 1.3786623391857087
Energy: 1.3809494162504719
Energy: 1.378492146580655
Energy: 1.5831425166443829
Energy: 1.5819458840781033
Energy: 1.8273342301770212
Energy: 1.3813426390126518
Energy: 1.382049136780028
Energy: 1.3815673445848535
Energy: 1.3781622141497347
Energy: 1.5649528387328027
Energy: 1.4734702556973527
Energy: 1.3801408899655812
Energy: 1.5859407819591984
Energy: 1.37971898264885
Energy: 1.4736122466917285
Energy: 1.4759256413350401
Energy: 1.4759819462566195
Energy: 1.380039632292478
Energy: 1.3784221548576998
Energy: 1.3813915164247768
Energy: 1.4758662097418462
Energy: 1.4741545951388917
Energy: 1.472474088700088
Energy: 1.38072209179215
Energy: 1.5845538583341843
Energy: 1.4744963736520142
Energy: 1.472595194497784
Energy: 1.4746596591729357
Energy: 1.4725375130049194
Energy: 1.4726481321584037
Energy: 1.473496418081599
Energy: 1.4726860735556215
Energy: 1.4725791388163305
Energy: 1.4761682387056958
Energy: 1.4762150378190344
Energy: 1.4713659453846042
Energy: 1.3777431650021164
Energy: 1.474965520576993
Energy: 1.4762012038149113
Energy: 1.5854155509221708
Energy: 1.4735878130884956
Energy: 1.4723793913483592
Energy: 1.4714593383845862
Energy: 1.472260591813519
Energy: 1.4737326026426798
Energy: 1.5653970156871915
Energy: 1.4725945323775462
Energy: 1.4750943606867197
Energy: 1.5843235021651045
Energy: 1.473853511208551
Energy: 1.472348813814562
Energy: 1.5844761621885994
Energy: 1.4744740384773336
Energy: 1.472590587129813
Energy: 1.4750188894622893
Energy: 1.4724909981470085
Energy: 1.475383813609409
Energy: 1.0349739877528594
Energy: 1.4721512589869252
Energy: 1.4731016834625568
Energy: 1.47546637434664
Energy: 1.4728016270216675
Energy: 2.195257998191673

minimum gb energy = 0.4703111469963803 eV
minimum distance =  2.27253206392332 Angstroms
sigma value = 81


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

Energy: 1.5082977396554402
Energy: 1.509012368284004
Energy: 1.5119591269136576
Energy: 1.511937475167344
Energy: 1.631577371146472
Energy: 1.508589632006441
Energy: 1.5087316555418773
Energy: 1.6316407950533458
Energy: 1.5120063750666737
Energy: 1.5117249098314107
Energy: 1.5119084400683638
Energy: 1.6315227484811157
Energy: 1.6329550115849414
Energy: 1.6315235896039832
Energy: 1.5119951914860754
Energy: 1.5130076307724156
Energy: 1.5121394167081004
Energy: 1.6310203807733203
Energy: 1.6301430444224456
Energy: 1.6314808211015956
Energy: 1.5125948126381228
Energy: 1.511956488425087
Energy: 1.6311343411627568
Energy: 1.631362796084518
Energy: 1.6304832154558544
Energy: 1.6349364625453524
Energy: 1.6313971178832902
Energy: 1.5086795216667077
Energy: 1.6336307426925911
Energy: 1.6316624573746301
Energy: 1.5122163648067999
Energy: 1.511739408783946
Energy: 1.5088496054933247
Energy: 1.5104201557837622
Energy: 1.6315337733114703
Energy: 1.512280286639989
Energy: 1.5116883239676147
Energy: 1.5118540362269692
Energy: 1.6313619143817002
Energy: 1.630747786739426
Energy: 1.6342805748818225
Energy: 1.511944686048113
Energy: 1.5116296453824585
Energy: 1.5120620053368
Energy: 1.6315136586602024
Energy: 1.6351171933847863
Energy: 1.6352705280536888
Energy: 1.511828093665934
Energy: 1.5119275488046282
Energy: 1.5120479700093148
Energy: 1.6315527839787867
Energy: 1.6312052553566703
Energy: 1.631692569881192
Energy: 1.511992811405232
Energy: 1.5087914251553582
Energy: 1.635763761696788
Energy: 1.6315395101306156
Energy: 1.6305745271140224
Energy: 1.632491820792791
Energy: 1.6311959562613145

minimum gb energy = 1.5082977396554402 eV
minimum distance =  2.30508445932961 Angstroms
sigma value = 3


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

Energy: 3.5380694622362356
Energy: 1.2337735460952743
Energy: 0.5598272185701904
Energy: 1.215874560348078
Energy: 0.49740934758187677
Energy: 1.2387641320018612
Energy: 1.315373959983355
Energy: 1.2966722561381563
Energy: 1.589055990641037
Energy: 1.592517054024512
Energy: 1.296519504603355
Energy: 0.5413114346239855
Energy: 1.5836084113501585
Energy: 1.2584415147437238
Energy: 1.6578932211446042
Energy: 1.5935145698839042
Energy: 1.2991201944486477
Energy: 1.623184404689392
Energy: 1.587876903292414
Energy: 1.6567357571801489
Energy: 1.3003113849951213
Energy: 0.515872014984661
Energy: 1.2638599918410793
Energy: 1.582272653761098
Energy: 1.5975002030351027
Energy: 1.598178796198146
Energy: 1.3019962334650563
Energy: 1.1441972766801896
Energy: 1.2983569778066437
Energy: 1.5907382515539754
Energy: 1.2466561117575512
Energy: 1.2404777692848479
Energy: 1.266101692928946
Energy: 1.2973810100559038
Energy: 1.5850395755605717
Energy: 1.2448201866225097
Energy: 1.9770534281008834
Energy: 1.5938800139528995
Energy: 1.6943515716574193
Energy: 0.5418752694460993
Energy: 1.653573316427276
Energy: 1.603189175947169
Energy: 1.979795838153546
Energy: 1.6582263464079938
Energy: 0.5205072285789125
Energy: 0.5441611034125262
Energy: 0.5022050484324176
Energy: 1.6043171956938724
Energy: 1.307933208579239
Energy: 0.5632066411405934
Energy: 1.327589126053541
Energy: 1.3347427656123194
Energy: 1.3229185510583867
Energy: 1.6107599507768708
Energy: 1.2107632242113926
Energy: 1.2901514952185054
Energy: 1.3110596618571766
Energy: 1.3034354468440796
Energy: 0.5200120083053843
Energy: 1.2894291441619683
Energy: 1.948736100395937
Energy: 1.2864763377523614
Energy: 1.296755735978181
Energy: 1.3071951150797367
Energy: 1.2945717356125275
Energy: 1.6390234253394333
Energy: 0.5187220496831135
Energy: 1.2954816879016322
Energy: 1.2980576170017333
Energy: 1.2401935936339918
Energy: 1.2909123658580666
Energy: 1.3243449756276129
Energy: 1.301922442922447
Energy: 1.3031057445204726
Energy: 1.290288040136452
Energy: 1.2400948593254295
Energy: 1.2920923151356245
Energy: 1.3027354299435123
Energy: 1.3331025374381922
Energy: 1.3220851849760646
Energy: 0.5035364601298263
Energy: 1.2153077089545148
Energy: 0.5160652348764428
Energy: 1.3079271605081293
Energy: 0.5629522114384058
Energy: 0.5393789677525004
Energy: 1.6538657189680193
Energy: 1.6050998299368766
Energy: 1.441397320366021
Energy: 0.5184658801233826
Energy: 0.5480190440036339
Energy: 1.2941930865767075
Energy: 1.591733110483411
Energy: 1.5865731724187417
Energy: 1.6531168539154
Energy: 0.5261308675576566
Energy: 0.7792023169658502
Energy: 1.2888769616145395
Energy: 1.5814890740196388
Energy: 1.2394725280317695
Energy: 1.5910624782094622
Energy: 0.6533662001706062
Energy: 0.769559756313606
Energy: 1.2890476816861252
Energy: 1.5930062501311848
Energy: 1.5857795105036478
Energy: 1.2972077727802678
Energy: 1.3645974517108777
Energy: 0.5384099512383836
Energy: 0.8681671259697683
Energy: 1.58839349269664
Energy: 1.5877443545761658
Energy: 1.586449905322907
Energy: 1.584192237981063
Energy: 1.5907964331530073
Energy: 1.2922921977249764
Energy: 1.2995970777179613
Energy: 1.5938611315222482
Energy: 1.2453688782198522
Energy: 1.5993713647601142
Energy: 1.5898860100696588
Energy: 1.5832651137198825
Energy: 0.8622461603268331
Energy: 0.5216467827673763
Energy: 1.588728129490951
Energy: 1.5987112871517142
Energy: 0.566728988507793
Energy: 1.5850422150673813
Energy: 1.275792593452383
Energy: 1.2961370470912608
Energy: 1.5970476418512622
Energy: 0.5270037448872041
Energy: 1.648077282195617
Energy: 1.5957181991236193
Energy: 1.4374242188534085
Energy: 1.1364569196548369
Energy: 1.2950577826710175
Energy: 1.5901517857917942
Energy: 1.9762960945255847
Energy: 1.6587699932628335
Energy: 0.5161116418452323
Energy: 0.5490202535394976
Energy: 0.5265229055859895
Energy: 2.046662194620973
Energy: 1.648541992760782
Energy: 1.2876530193083795
Energy: 0.5339799417035221
Energy: 0.5151905754843374
Energy: 1.3160000060869972
Energy: 1.5923721903058032
Energy: 1.2191828366449378
Energy: 0.5399481102817192
Energy: 1.3132959986610868
Energy: 1.3105283231786231
Energy: 0.5390535868036649
Energy: 1.2905870198037566
Energy: 0.42500443073112876
Energy: 1.285236802946974
Energy: 1.3017138378716624
Energy: 1.304389514664265
Energy: 1.2948950494034783
Energy: 1.6052073982550323
Energy: 1.219419695623595
Energy: 1.2902809712680043
Energy: 1.2955592177362636
Energy: 1.238265885160911
Energy: 1.2915078333110195
Energy: 1.2979760205554005
Energy: 1.304990258598567
Energy: 1.302442995284282
Energy: 1.2426111662557386
Energy: 1.2408952172058194
Energy: 1.289181887838715
Energy: 1.3024340041458575
Energy: 1.2923809539881421
Energy: 1.3144299456902082
Energy: 1.2899583527519536
Energy: 1.219609768987531
Energy: 0.5416522067015657
Energy: 1.3112072477907557
Energy: 0.5643831909185689
Energy: 0.5258898487702396
Energy: 1.2980099770858524
Energy: 1.6484166406358618
Energy: 1.3132306465123025
Energy: 0.5572907448979382
Energy: 0.5609692914818367
Energy: 0.5210468724877616
Energy: 1.6576200969179917
Energy: 1.5874570799171952
Energy: 0.5156124684896608
Energy: 0.5181808154419887
Energy: 1.30824012790221
Energy: 1.2896131955782142
Energy: 1.605369667842512
Energy: 1.6250865804571677
Energy: 1.298273398218427
Energy: 1.3645394521057321

minimum gb energy = 0.42500443073112876 eV
minimum distance =  2.30569544068793 Angstroms
sigma value = 67


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

Energy: 2.2981295914840283
Energy: 1.2128863150811502
Energy: 1.2185520768052704
Energy: 1.700818788388273
Energy: 1.217787575601391
Energy: 1.2305376682269538
Energy: 1.2163495779567277
Energy: 1.8134728721880358
Energy: 1.8211237810404406
Energy: 1.7506724148523793
Energy: 1.8125291151595317
Energy: 1.8470535284184106
Energy: 1.2220690005002957
Energy: 1.2701352629847409
Energy: 1.820843094431629
Energy: 1.75800521856974
Energy: 1.814003607320415
Energy: 1.7510245197838799
Energy: 1.7567041219879127
Energy: 1.8157686735203624
Energy: 1.2730909281185605
Energy: 1.2247916977173154
Energy: 1.2695004759242727
Energy: 1.8161159980142842
Energy: 1.74758920077327
Energy: 1.7532581190586438
Energy: 1.8145161779815673
Energy: 1.2190524424873652
Energy: 1.8134613809075497
Energy: 1.7521867372155728
Energy: 1.2279250317886807
Energy: 1.2170489398106636
Energy: 1.8108978453787727
Energy: 1.7563821249625489
Energy: 1.2703073894359975
Energy: 1.217943981655565
Energy: 2.2746985938246893
Energy: 1.8158412011167866
Energy: 1.8437442966569266
Energy: 1.218907369299886
Energy: 1.84468846332724
Energy: 1.7532167185501302
Energy: 2.279857176201976
Energy: 1.8151504093363222
Energy: 1.2143203616483476
Energy: 1.2235245692551349
Energy: 1.2133856150036393
Energy: 2.277906958085655
Energy: 1.231325622427078
Energy: 1.21581612719938
Energy: 1.2176632082053689
Energy: 1.2175896966186877
Energy: 1.2172870967705633
Energy: 1.2699254484417437
Energy: 1.7534856755003718
Energy: 1.215019601608473
Energy: 1.2158385574486803
Energy: 1.2205825871248734
Energy: 1.2149586613122325
Energy: 1.751242110843607
Energy: 1.7530092961964765
Energy: 1.8146548287302238
Energy: 1.2137763243245485
Energy: 1.2283327078390418
Energy: 1.8406076655912063
Energy: 1.8171425926143505
Energy: 1.2292193434100174
Energy: 1.7507944647730231
Energy: 1.2139470115267994
Energy: 1.2170532619777317
Energy: 1.2171254961572473
Energy: 1.7524144352762783
Energy: 1.2225512703150008
Energy: 1.752182857752558
Energy: 1.2136458340431473
Energy: 1.217321867195638
Energy: 1.2665485395969072
Energy: 1.760416321717242
Energy: 1.7571580926837738
Energy: 1.815601361410031
Energy: 1.2730040105756684
Energy: 1.2273709105238448
Energy: 1.813058273126603
Energy: 1.8171908395961616
Energy: 1.7497096331538207
Energy: 1.2702348114936761
Energy: 1.8237486003930024
Energy: 1.7509120870596475
Energy: 1.2677818375919423
Energy: 1.7515896974981238
Energy: 1.2245070807237128
Energy: 1.8127685834620375
Energy: 1.8181600534624216
Energy: 1.7544676410450941
Energy: 1.8145199211120706
Energy: 1.2665553794454867
Energy: 1.7483555639165282
Energy: 1.8155759573912327
Energy: 1.217444930303727
Energy: 1.2239090648512574
Energy: 1.7495542580777894
Energy: 1.8151325524237156
Energy: 1.7479265504540658
Energy: 1.8147693053391847
Energy: 1.7518613213309655
Energy: 1.7514366733139468
Energy: 1.7522236165676512
Energy: 1.8156141154389203
Energy: 1.2261845639925872
Energy: 1.213339306105002
Energy: 2.3987160283930673
Energy: 2.2760767519902285
Energy: 1.8148113957878695
Energy: 1.2146857844996144
Energy: 1.2186746515363258
Energy: 1.215921400913862
Energy: 1.8410814302039689
Energy: 1.7535393682695064
Energy: 1.214899766848421
Energy: 1.2177431468547477
Energy: 1.2167668478630815
Energy: 1.2172806995607024
Energy: 1.2154229518973454
Energy: 1.2324740087703452
Energy: 1.215847189955064
Energy: 1.217556307050594
Energy: 1.2230584074702646
Energy: 1.2134679630916243
Energy: 1.818870256706505
Energy: 1.756034038809851
Energy: 1.8435085465410321
Energy: 1.2143214163729716
Energy: 1.2160871316091433
Energy: 1.8443396558866425
Energy: 1.8224961159284445
Energy: 1.7537007838275165
Energy: 1.8136227892867227
Energy: 1.846806647200541

minimum gb energy = 1.2128863150811502 eV
minimum distance =  2.27723586641713 Angstroms
sigma value = 33


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

Energy: 1.9248736598185043
Energy: 0.9569674230054774
Energy: 0.9676746627676812
Energy: 0.9673686320321313
Energy: 1.3034028386603667
Energy: 1.7525805965367969
Energy: 1.299552994941746
Energy: 1.8028908263885788
Energy: 1.7428805973195407
Energy: 1.3104467965302338
Energy: 1.4145269296843104
Energy: 1.4177912853235133
Energy: 1.3044951478613855
Energy: 0.9570505370160001
Energy: 1.4095505345017845
Energy: 1.6294895530032432
Energy: 1.414202514434863
Energy: 1.298098968404682
Energy: 1.3039331596000119
Energy: 1.363964774521382
Energy: 1.4185966290945375
Energy: 1.3085739434343568
Energy: 0.9590765848590608
Energy: 1.3663928366610423
Energy: 1.3096590622463438
Energy: 1.2994303543616699
Energy: 1.0324453285772053
Energy: 1.304211741641648
Energy: 1.3028058976821513
Energy: 1.297316727566783
Energy: 0.9691970798875205
Energy: 0.955615700511433
Energy: 1.3663984548573873
Energy: 1.3008189506472292
Energy: 1.7452019487629413
Energy: 0.9607886876378805
Energy: 0.9454708405613615
Energy: 1.3017783844016522
Energy: 1.2955371485169926
Energy: 0.965384505769712
Energy: 0.9586742035678876
Energy: 1.6223864983738878
Energy: 0.9659492043951488
Energy: 1.0336512578842822
Energy: 1.296334665059998
Energy: 1.3061871066456479
Energy: 1.2946727029945473
Energy: 1.6261243926024784
Energy: 1.305454794007281
Energy: 1.3055101082251788
Energy: 1.305449846071136
Energy: 1.3067766702671648
Energy: 1.302387030614826
Energy: 1.3578448281654263
Energy: 1.3107296459909163
Energy: 1.4113442294908936
Energy: 1.2971975763726824
Energy: 1.308803957307666
Energy: 1.3624236432932713
Energy: 1.7371617168435447
Energy: 1.3095955585628372
Energy: 1.4092819938842227
Energy: 0.9595890859661799
Energy: 1.3014963808196687
Energy: 1.4163565829284714
Energy: 2.151397053530669
Energy: 1.307333483967639
Energy: 1.3038398391582853
Energy: 0.9606040791432794
Energy: 1.625210594598468
Energy: 0.961661176949114
Energy: 1.3054560613075215
Energy: 0.9770404312078401
Energy: 1.3034482245587233
Energy: 0.9604590777660161
Energy: 1.6248257980795644
Energy: 0.9607761349744025
Energy: 0.9759042304361071
Energy: 0.965816549813783
Energy: 1.408200596993679
Energy: 0.9564696339683366
Energy: 0.966033752364868
Energy: 1.0365549494974828
Energy: 1.6264494089480546
Energy: 0.962554079584712
Energy: 0.9542676885380539
Energy: 0.9563987123001677
Energy: 0.9812109207973905
Energy: 0.9549190851411026
Energy: 1.742872037898522
Energy: 0.9757898511760472
Energy: 0.9543046689119447
Energy: 0.9574686275357366
Energy: 0.9775940350526824
Energy: 0.9564999998432644
Energy: 1.025598597781781
Energy: 1.302786512524063
Energy: 0.9572529224430126
Energy: 0.9555476432531598
Energy: 0.9669885470391097
Energy: 0.9517195945063713
Energy: 1.3610917774202387
Energy: 0.979222225018005
Energy: 1.4112361256617938
Energy: 1.3002246825498436
Energy: 0.9662806186695195
Energy: 1.3049957358081627
Energy: 1.3112114069270964
Energy: 0.9805804335666023
Energy: 0.9802619114307294
Energy: 0.9556617227403085
Energy: 1.6256752845795943
Energy: 1.302546758576673
Energy: 0.9792365982056095
Energy: 1.3104702693532162
Energy: 1.3623572865169884
Energy: 0.9599644393328869
Energy: 1.2982343660017897
Energy: 1.4205082812365477
Energy: 1.3079272786681546
Energy: 1.6282951214084571
Energy: 1.4092501302135971
Energy: 1.2989837300622082
Energy: 1.3039158320493214
Energy: 1.030811156102629
Energy: 1.4099229728993468
Energy: 1.3087179506362425
Energy: 1.035675521396863
Energy: 1.363624651980682
Energy: 1.305048367321848
Energy: 1.3042476161511873
Energy: 1.3104249662759742
Energy: 0.9699996261078283
Energy: 0.9632016817896097
Energy: 1.2983433966854772
Energy: 1.3088441574402059
Energy: 1.3023186143696535
Energy: 1.0240062159138257
Energy: 1.3652664068424727
Energy: 0.9528806258113754
Energy: 0.9586456389174731
Energy: 0.96667575020919
Energy: 0.9528203295108072
Energy: 1.3477729736121193
Energy: 0.9655813084450243
Energy: 1.3009953049079683
Energy: 1.2968481514988661
Energy: 0.9753358765718999
Energy: 1.3046685460136
Energy: 1.2963807005887749
Energy: 1.3079120825312518
Energy: 1.2947468412630034
Energy: 1.2965081867622905
Energy: 0.953756483600492
Energy: 0.9582082372837623
Energy: 1.2978819574269893
Energy: 1.3066284781142292
Energy: 1.3046436032880202
Energy: 1.3051794832484174
Energy: 1.3040353430258342
Energy: 1.3020539361043622
Energy: 1.2986448706191893
Energy: 1.307880246948165
Energy: 1.2995917911976536
Energy: 1.4119146639451734
Energy: 1.3092427354143354
Energy: 1.0333817968857668
Energy: 1.2960205219047165
Energy: 1.3053123025300977
Energy: 1.0303869794541802
Energy: 1.7392288388708097
Energy: 1.3092981894651428
Energy: 1.4101362841817437
Energy: 1.2980380597015826
Energy: 0.9551730907047078
Energy: 0.9592712590082039
Energy: 1.3037963991521657
Energy: 1.3076745514561607
Energy: 1.291509088289562
Energy: 1.2877832472674604
Energy: 0.9676186161872137
Energy: 0.9614484815304017
Energy: 1.3046693318212683
Energy: 0.975697180189309
Energy: 1.3028864518978913
Energy: 1.289861448135964
Energy: 0.9668606995168166
Energy: 1.4175933743432036
Energy: 1.7992041367489866
Energy: 0.965801257924764
Energy: 1.416472683829649
Energy: 0.9596442478442475
Energy: 0.9826172399326661
Energy: 0.9550482821356736
Energy: 1.030678464934057
Energy: 0.9631334514010006
Energy: 0.9519826102809917
Energy: 0.95771114822451
Energy: 0.976279876469801
Energy: 0.9569852101968682
Energy: 0.953873634130663
Energy: 0.9773168252212685
Energy: 0.9549512816682039
Energy: 0.9582136151655333
Energy: 0.9780405105947924
Energy: 0.9546823599916624
Energy: 1.0335295179243535
Energy: 1.310273203607107
Energy: 0.9525270983393199
Energy: 0.9574217214645554
Energy: 0.9668974695666115
Energy: 1.3004160977362915
Energy: 1.3589856438978625
Energy: 1.3104439150654055
Energy: 1.8023792552046822
Energy: 0.9604457218013924
Energy: 0.9548758218151595
Energy: 0.9607293831017684
Energy: 0.9796465630032157
Energy: 0.9738879173261691
Energy: 1.3041887367975442
Energy: 1.620978129743426

minimum gb energy = 0.9454708405613615 eV
minimum distance =  2.27274141428179 Angstroms
sigma value = 41


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

Energy: 2.7030580814108003
Energy: 0.3614395211253774
Energy: 1.1047744451741157
Energy: 1.1415150111834436
Energy: 1.074457752642186
Energy: 0.37910964550444337
Energy: 1.7178955846092068
Energy: 0.5088399899270148
Energy: 0.5123047267543234
Energy: 1.1343434125030134
Energy: 0.5123755795480183
Energy: 1.1042536590320389
Energy: 1.1421888896284438
Energy: 0.5120189202297867
Energy: 0.514882441641233
Energy: 0.37157691931395986
Energy: 0.5117055369885688
Energy: 1.0750161110486551
Energy: 1.104236686240191
Energy: 0.5116484162401981
Energy: 0.519021080844727
Energy: 1.145618989506058
Energy: 0.5119761342665945
Energy: 0.48231803701121667
Energy: 1.122842166830066
Energy: 1.0876229773468138
Energy: 0.5180565396751705
Energy: 1.1395173412048332
Energy: 0.5002654353493196
Energy: 1.1053180602418022
Energy: 1.128971398426394
Energy: 1.1025267544749942
Energy: 0.5137570571237242
Energy: 1.0176716886812263
Energy: 1.0878672694425446
Energy: 1.1032501968722286
Energy: 1.7335441860210168
Energy: 0.5053630703430197
Energy: 1.0778994892974278
Energy: 1.1388671243233337
Energy: 0.5114521575270808
Energy: 1.7151421071620747
Energy: 1.7373455768042418
Energy: 0.5112852361626501
Energy: 1.089207753248385
Energy: 1.1362160525736513
Energy: 0.5179870300055333
Energy: 1.7120161466488266
Energy: 1.1460107359281586
Energy: 0.5158377634399867
Energy: 0.5116826339222222
Energy: 0.3725524837655092
Energy: 0.5133733641817172
Energy: 1.0959057150977514
Energy: 1.1396809181948964
Energy: 0.5125236339632712
Energy: 0.518675838747517
Energy: 1.1367434216687493
Energy: 0.5099723492542629
Energy: 1.1049603314200613
Energy: 1.1234218356769627
Energy: 0.514106244500575
Energy: 0.521108053603864
Energy: 1.1416433545958986
Energy: 0.5134639914089999
Energy: 1.104204073091487
Energy: 1.1327979642522428
Energy: 1.100775110098445
Energy: 0.5176891513948322
Energy: 1.0135109792032548
Energy: 0.5100448298586222
Energy: 1.1032493770663216
Energy: 1.1358614556811486
Energy: 1.1032512514072768
Energy: 0.5163420473375224
Energy: 1.1349003694149562
Energy: 0.5129497986405418
Energy: 1.1033670547058858
Energy: 1.734657375562077
Energy: 0.5108531483598574
Energy: 1.1099009581808512
Energy: 1.1621075455866425
Energy: 1.10499256745366
Energy: 1.1067111398358682

minimum gb energy = 0.3614395211253774 eV
minimum distance =  2.38515567666151 Angstroms
sigma value = 11


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

Energy: 1.3371465084184295
Energy: 1.349550722434872
Energy: 1.367590972012019
Energy: 1.535137308681533
Energy: 1.3683575216749684
Energy: 1.340965832373065
Energy: 1.3485305444275366
Energy: 1.3655549772002575
Energy: 1.3570639142344039
Energy: 1.3561971570811109
Energy: 1.4079968446758389
Energy: 1.3653413336489109
Energy: 1.3673216103867634
Energy: 1.3581605700808117
Energy: 1.4151094862444389
Energy: 1.3513229704354164
Energy: 1.3623502455119951
Energy: 1.3633754051891298
Energy: 1.3607157946380883
Energy: 1.3648483702757634
Energy: 1.3568829386845822
Energy: 1.3610000960217352
Energy: 1.3630036690619542
Energy: 1.3669396602687622
Energy: 1.3618613033798685
Energy: 1.3661071815352361
Energy: 1.4119064429487866
Energy: 1.3564857506163228
Energy: 1.3649762145656696
Energy: 1.3669832359078684
Energy: 1.3651658329716743
Energy: 1.3618687859140322
Energy: 1.4108456888062066
Energy: 1.3568081166133952
Energy: 1.4108265060661134
Energy: 1.3631921627904264
Energy: 1.3529501521355773
Energy: 1.3659772392265648
Energy: 1.355650647620308
Energy: 1.3601190551079838
Energy: 1.3550819031944363
Energy: 1.3448251376862612
Energy: 1.3543609084518247
Energy: 1.4117118820971133
Energy: 1.360845541443665
Energy: 1.367123830097343
Energy: 1.3598285536121735
Energy: 1.345511609849915
Energy: 1.3676167202458214
Energy: 1.3608726217395621
Energy: 1.3593460094509153
Energy: 1.3463743678654068
Energy: 1.3640732946816072
Energy: 1.3621500358292298
Energy: 1.3638591484701954
Energy: 1.3659797391459307
Energy: 1.4076461467349117
Energy: 1.3462018525536719
Energy: 1.3645384187291143
Energy: 1.3660684051509477
Energy: 1.3622100457756885
Energy: 1.366342205941605
Energy: 1.3634474286715519
Energy: 1.3702063370045252
Energy: 1.4153428642377195
Energy: 1.3651058100239855
Energy: 1.36292344477205
Energy: 1.4108597309299227
Energy: 1.3669880237879957
Energy: 1.3628743136641779
Energy: 1.4096264755608643
Energy: 1.365241762023461
Energy: 1.3606339446929339
Energy: 1.368284749804742
Energy: 1.3648920733600822
Energy: 1.3628091863401737
Energy: 1.3654909344148587
Energy: 1.3615313973796488
Energy: 1.343976439274305
Energy: 1.364038924003697
Energy: 1.3601457452768155
Energy: 1.3671000359074712
Energy: 1.3594209612150132
Energy: 1.4045142225476352
Energy: 1.3650868828577314
Energy: 1.4079938894193111
Energy: 1.366214430250221
Energy: 1.3639424379433316
Energy: 1.3653405777404977
Energy: 1.3572101627291857
Energy: 1.3641918354894207
Energy: 1.3637292461083397
Energy: 1.3503564675142925
Energy: 1.3360891260424224
Energy: 1.3618698176418114
Energy: 1.3644770497292142
Energy: 1.3556326489304762
Energy: 1.3577254570469846
Energy: 1.3681063635050417
Energy: 1.3594772469891863
Energy: 1.365120422351528
Energy: 1.3565663487085955
Energy: 1.3492963247874892
Energy: 1.4125768226834712
Energy: 1.3639519724302962
Energy: 1.3658543952885953
Energy: 1.364252170941996
Energy: 1.3507256554450489
Energy: 1.3563063771078707
Energy: 1.3642374405908273
Energy: 1.3648134177339353
Energy: 1.3626506422336948
Energy: 1.364383449960915
Energy: 1.3567563006975238
Energy: 1.3555289880701464
Energy: 1.3655641435923436
Energy: 1.3668031985707427
Energy: 1.363109733997477
Energy: 1.366516552822158
Energy: 1.35768043543876
Energy: 1.3570335260500217
Energy: 1.3594692633882792
Energy: 1.3629013208167977
Energy: 1.3647672786138718
Energy: 1.3617221772868404
Energy: 1.3580480898809304
Energy: 1.3598967697250546
Energy: 1.3558678238040673
Energy: 1.3663252909825998
Energy: 1.3520543596425876
Energy: 1.3659803744326597
Energy: 1.3562348001722286
Energy: 1.3657175955872825
Energy: 1.3615157142886671
Energy: 1.3440240934871535
Energy: 1.3421407731212753
Energy: 1.3560660244914575
Energy: 1.3627681822268625
Energy: 1.3470385919877559
Energy: 1.3652079245564497
Energy: 1.3610663856144565
Energy: 1.3684533385266913
Energy: 1.3655306158327492
Energy: 1.3464882218507706
Energy: 1.3466536258774562
Energy: 1.3633282589422038
Energy: 1.3653183207908115
Energy: 1.3647362545637023
Energy: 1.3655712451529751
Energy: 1.3480041920909225
Energy: 1.3696728334872987
Energy: 1.4162996124937357
Energy: 1.3670867303028635
Energy: 1.3625392679422839
Energy: 1.3662264782551443
Energy: 1.3628219008971285
Energy: 1.3626958559675701
Energy: 1.4107370742407515
Energy: 1.3651882167756164
Energy: 1.362776299856559
Energy: 1.4098925238847806
Energy: 1.3656716043592432
Energy: 1.3625802348385656
Energy: 1.367753160368157
Energy: 1.363399643629619
Energy: 1.3619296594909258
Energy: 1.3639570755240669
Energy: 1.3653398451568841
Energy: 1.3660168332695493
Energy: 1.3623832029808594
Energy: 1.3634017265723894
Energy: 1.3424431075566972
Energy: 1.368825990107115
Energy: 1.3625137217003036
Energy: 1.3654758220454641
Energy: 1.3654005343172066
Energy: 1.3592413480878605
Energy: 1.364923724206664
Energy: 1.3650762689706188
Energy: 1.3608497695249893
Energy: 1.3342331074569664
Energy: 1.366088095103141
Energy: 1.3629250924393324
Energy: 1.365355547802741
Energy: 1.3619872135091764
Energy: 1.3511455919944155

minimum gb energy = 1.3342331074569664 eV
minimum distance =  2.26055211624833 Angstroms
sigma value = 57


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

Energy: 3.120619250875955
Energy: 1.7141275620533638
Energy: 1.740917391566842
Energy: 1.7394387043139
Energy: 1.7408159470976652
Energy: 1.7124354779946704
Energy: 1.6589436630763688
Energy: 1.7033293602923392
Energy: 1.6818185875816685
Energy: 1.6789768925381008
Energy: 1.7017541232888431
Energy: 1.681086918338866
Energy: 1.679407739151631
Energy: 1.6810352843713885
Energy: 1.7026883065740888
Energy: 1.6594574054479108
Energy: 1.7014178588966744
Energy: 1.681243559998563
Energy: 1.6801554754796209
Energy: 1.6815935095967736
Energy: 1.703044463169058
Energy: 1.6807031486643098
Energy: 1.6829622631147003
Energy: 1.6811607603261831
Energy: 1.6810982985942469
Energy: 1.6817775040839242
Energy: 1.7045720584665516
Energy: 1.6786903324656686
Energy: 1.7018889227995118
Energy: 1.6818644043827746
Energy: 1.6967796673567606
Energy: 1.6809338515010293
Energy: 1.7025939146340383
Energy: 1.6778826427603397
Energy: 1.701719494588066
Energy: 1.6820908391463107
Energy: 1.6704798685095978
Energy: 1.7025419800260317
Energy: 1.6803400429563164
Energy: 1.6790702976253924
Energy: 1.6802694602207766
Energy: 1.7057371246547186
Energy: 1.6844635849949228
Energy: 1.7021840765094851
Energy: 1.6796951308085346
Energy: 1.6792030118716164
Energy: 1.6797892368145988
Energy: 1.704442319711379
Energy: 1.6793030407506762
Energy: 1.6799136186016619
Energy: 1.6601394461175558
Energy: 1.6586440038660537
Energy: 1.7019876408818246
Energy: 1.6807088742901892
Energy: 1.6782903685011423
Energy: 1.6795086819808323
Energy: 1.6603029084450316
Energy: 1.6580297219633329
Energy: 1.7016043361818625
Energy: 1.6875198110151233
Energy: 1.6596941215863181
Energy: 1.7027628859045962
Energy: 1.6836938365502185
Energy: 1.6799899896554382
Energy: 1.702784347736777
Energy: 1.7023205367700236
Energy: 1.659394377511531
Energy: 1.702612615063
Energy: 1.6822406700700676
Energy: 1.6809193906308002
Energy: 1.6809147996701292
Energy: 1.70122801307661
Energy: 1.6796212292430266
Energy: 1.7020503124202169
Energy: 1.681833689789259
Energy: 1.6806879229571101
Energy: 1.681740162418354
Energy: 1.6802485822445181
Energy: 1.695792488020018
Energy: 1.7036380775271125
Energy: 1.681259934359583
Energy: 1.6817168154747302
Energy: 1.6797199748760474
Energy: 1.7032573443185348
Energy: 1.6785972211669946
Energy: 1.68083198266378
Energy: 1.7024081685011685
Energy: 1.6805297780037498
Energy: 1.702555991606573
Energy: 1.6809772207483136
Energy: 1.739331315553335
Energy: 1.6822100817045629
Energy: 1.6795013171358137
Energy: 1.6700588054825662
Energy: 1.6809649576325896
Energy: 1.7404994534028368
Energy: 1.6588335802884417
Energy: 1.6819959346039663
Energy: 1.6816920887761764
Energy: 1.681158613660294
Energy: 1.7021982330031784
Energy: 1.680996287290605

minimum gb energy = 1.6580297219633329 eV
minimum distance =  2.26220613351719 Angstroms
sigma value = 9


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

Energy: 3.262042002660567
Energy: 1.5027065330266112
Energy: 1.6145257336333732
Energy: 1.60522876521537
Energy: 1.6077312503441674
Energy: 1.5032676031697718
Energy: 1.6915687310927987
Energy: 1.5363248912742213
Energy: 1.6128510364849502
Energy: 1.624407534900527
Energy: 1.5338565398725237
Energy: 1.6145098512069285
Energy: 1.6073179990033526
Energy: 1.6076980866976964
Energy: 1.4973330542209022
Energy: 1.496172968993009
Energy: 1.5405546980207048
Energy: 1.6129027380701264
Energy: 1.6073413545052413
Energy: 1.6077486589383452
Energy: 1.5342357073956672
Energy: 1.6122535434594385
Energy: 1.5353848336123315
Energy: 1.612870656829466
Energy: 1.6046811405011878
Energy: 1.6063243527582585
Energy: 1.6171135400334054
Energy: 1.6067750413783695
Energy: 1.608098125685513
Energy: 1.6101650619803005
Energy: 1.6128952004456425
Energy: 1.6152887794191408
Energy: 1.6090252073029392
Energy: 1.6073729007649098
Energy: 1.605954866785789
Energy: 1.618692459916203
Energy: 1.621806054761923
Energy: 1.535243214097404
Energy: 1.609857771430535
Energy: 1.6083856121287148
Energy: 1.6081965440431392
Energy: 1.5385203692826548
Energy: 1.6220712351041335
Energy: 1.5366439028337764
Energy: 1.60862703260143
Energy: 1.6036765780990363
Energy: 1.5387181305872752
Energy: 1.539200696962276
Energy: 1.6048002403222996
Energy: 1.6070381687848596
Energy: 1.5382205256460657
Energy: 1.6122309254415814
Energy: 1.6136056113453778
Energy: 1.614883657219213
Energy: 1.5985712814368551
Energy: 1.614621009824081
Energy: 1.5376590718798029
Energy: 1.6125141623593653
Energy: 1.536290176168327
Energy: 1.6092459906855745
Energy: 1.688784934522711
Energy: 1.5361444531890875
Energy: 1.6103227419536117
Energy: 1.5983276137486
Energy: 1.6066633086065298
Energy: 1.4961467437799005
Energy: 1.6899481604288125
Energy: 1.5365328380435577
Energy: 1.6160424536924956
Energy: 1.6139492063699958
Energy: 1.6073509792652796
Energy: 1.649099101565582
Energy: 1.6033926503191198
Energy: 1.6078456345782355
Energy: 1.5386455378774715
Energy: 1.4997783288328363
Energy: 1.5362435156349297
Energy: 1.6101153857210593
Energy: 1.6074654935969932
Energy: 1.613540783563407
Energy: 1.5367867564606836
Energy: 1.4961539298371611
Energy: 1.534444472131434
Energy: 1.6106980632236956
Energy: 1.605992981709797
Energy: 1.6061074180052572
Energy: 1.623068361326304
Energy: 1.6125726109071072
Energy: 1.5375226497988466
Energy: 1.6138765117983522
Energy: 1.6059955513702202
Energy: 1.6071509309719993
Energy: 1.6105261538036024
Energy: 1.6026374413486628
Energy: 1.606866568174862
Energy: 1.6125368921840044
Energy: 1.6224042898310431
Energy: 1.537782987102826
Energy: 1.6100778322872915
Energy: 1.609506737671232
Energy: 1.607939471677254
Energy: 1.6118914280652148
Energy: 0.5635397566087533
Energy: 1.545216925576829
Energy: 1.6122796835477624
Energy: 1.6094391317732855
Energy: 1.6090144556799395
Energy: 1.53514638800909
Energy: 1.620666472703732
Energy: 1.614149530328924
Energy: 1.5412904391303697
Energy: 1.6066239323343017
Energy: 1.533234108477148
Energy: 1.6290982040748738
Energy: 1.605620556355723
Energy: 1.6069350583547604
Energy: 1.6119197839778148
Energy: 1.6025180391050762
Energy: 1.605827507998627
Energy: 1.6042680634426874
Energy: 1.689184222522872
Energy: 1.5372187942480073
Energy: 1.6160492517775735
Energy: 1.6046968340177048
Energy: 1.5401621169011197
Energy: 1.61289293830737

minimum gb energy = 0.5635397566087533 eV
minimum distance =  2.2652023766917 Angstroms
sigma value = 27


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

Energy: 1.680276131616028
Energy: 1.6484638169255963
Energy: 1.5975219098243214
Energy: 1.6365155556700424
Energy: 1.5995221861634468
Energy: 1.648361900747246
Energy: 1.6788023813768254
Energy: 1.5998832749655911
Energy: 1.6436067220820285
Energy: 1.6337215123348334
Energy: 1.5946725187702175
Energy: 1.60296091560848
Energy: 1.5995581802620298
Energy: 1.5959053347690735
Energy: 1.6178136426316903
Energy: 1.656627698084753
Energy: 1.5958584778550482
Energy: 1.596207813509765
Energy: 1.596769773186883
Energy: 1.5959506124251812
Energy: 1.5967668605065655
Energy: 1.6378871185443407
Energy: 1.5982467812952286
Energy: 1.6031663221387153
Energy: 1.6173831038514634
Energy: 1.603152895397648
Energy: 1.6252946017558159
Energy: 1.6238876009646266
Energy: 1.7501672089048337
Energy: 1.603581066714977
Energy: 1.5955039226003722
Energy: 1.5970214570845485
Energy: 1.6256460508196968
Energy: 1.623146538803655
Energy: 1.6258568145107448
Energy: 1.6024740999229414
Energy: 1.6036927626304802
Energy: 1.6272825382931069
Energy: 1.786921277706596
Energy: 1.6391390083718989
Energy: 1.7929791726375683
Energy: 1.5970842687496083
Energy: 1.6035898249220608
Energy: 1.6294535613982652
Energy: 1.6270249907349412
Energy: 1.623044477400851
Energy: 1.596344013019164
Energy: 1.5967503749397793
Energy: 1.599772450693723
Energy: 1.5963943491589476
Energy: 1.5958243071771827
Energy: 1.592841026388104
Energy: 1.596980153297759
Energy: 1.5969828385989102
Energy: 1.6015778434638523
Energy: 1.5975594641944642
Energy: 1.7869132110651658
Energy: 1.5931186469485163
Energy: 1.5963535063935264
Energy: 1.597207881339855
Energy: 1.619410645181597
Energy: 1.654175296955612
Energy: 1.6246195654822293
Energy: 1.6364846305118683
Energy: 1.6228500413243545
Energy: 1.6197580399020848
Energy: 1.6194852129429715
Energy: 1.6681574380136397
Energy: 1.6328056247684717
Energy: 1.7003451206998683
Energy: 1.6574572392955407
Energy: 1.6326222894407845
Energy: 1.6029480620120318
Energy: 1.596863025750457
Energy: 1.6286772326861298
Energy: 1.6290324819855357
Energy: 1.6342116554191366
Energy: 1.5969326343664598
Energy: 1.5987212159805702
Energy: 1.6270408143180801
Energy: 1.6661513991113694
Energy: 1.6287140392161366
Energy: 1.6275763214752015
Energy: 1.5983863541499932
Energy: 1.6181325179488948
Energy: 1.6543525453723447
Energy: 1.6341783974902588
Energy: 1.6282121097622482
Energy: 1.629732031213256
Energy: 1.6182617166241815
Energy: 1.6183037362871595
Energy: 1.632916216719095
Energy: 1.6030982890889158
Energy: 1.5931671372494083
Energy: 1.5955034498349412
Energy: 1.632788552597668
Energy: 1.6053230152906992
Energy: 1.5977703155694256
Energy: 1.7613557392759311
Energy: 1.6171906391169752
Energy: 1.7637023183085665
Energy: 1.609380138203758
Energy: 1.6383958710176123
Energy: 1.7610515691820428
Energy: 1.631775259912005
Energy: 1.5936139706191796
Energy: 1.635451664716145
Energy: 1.759164385405145
Energy: 1.6042962192609014
Energy: 1.5972697780834677
Energy: 1.5963494030425545
Energy: 1.5935579204331038
Energy: 1.5969547339880286
Energy: 1.6090556088781942
Energy: 1.5962978674470283
Energy: 1.5971952429583514
Energy: 1.8064591488964752
Energy: 1.5938178187152927
Energy: 1.8070674812806151
Energy: 1.5967900663439103
Energy: 1.594684869953121
Energy: 1.6306273037699064
Energy: 1.5960873321782216
Energy: 1.5948418535590385
Energy: 1.5946860997919572
Energy: 1.6005719378467669
Energy: 1.6186189953838837
Energy: 1.630256629563472
Energy: 1.5962016198041953
Energy: 1.5927781262280056
Energy: 1.5943775956594124
Energy: 1.6306665383239245
Energy: 1.597956063562665
Energy: 1.597957941080973
Energy: 1.6332478845573186
Energy: 1.6195861640338187
Energy: 1.5958553504370867
Energy: 1.603034404864994
Energy: 1.634882631156861
Energy: 1.5971799899652723
Energy: 1.6204836606259978
Energy: 1.6199516514826702
Energy: 1.5977244442003415
Energy: 1.641486366564455
Energy: 1.6198379504861125
Energy: 1.6293563780550009
Energy: 1.6268487480909053
Energy: 1.6374702152464375
Energy: 1.6387262857148677
Energy: 1.6184868748977765

minimum gb energy = 1.5927781262280056 eV
minimum distance =  2.28369314219773 Angstroms
sigma value = 19


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

Energy: 1.5579855801194094
Energy: 1.5098267135244912
Energy: 1.5125714065123599
Energy: 1.519880419556298
Energy: 1.5103745866341265
Energy: 1.5097768816064543
Energy: 1.5024811626284276
Energy: 1.5077872374971553
Energy: 1.5081529986901139
Energy: 1.5071994417395884
Energy: 1.5081599590526054
Energy: 1.5087707208235577
Energy: 1.5075935007218377
Energy: 1.5088561085415777
Energy: 1.490505758278137
Energy: 1.4905143148392712
Energy: 1.5080567170053967
Energy: 1.5079766447160627
Energy: 1.5076990274248998
Energy: 1.5080894958352382
Energy: 1.507817204973776
Energy: 1.5079144844669876
Energy: 1.5081654105030833
Energy: 1.508216326001718
Energy: 1.4905735576699095
Energy: 1.5076225224849484
Energy: 1.5082071538240869
Energy: 1.5081987644521884
Energy: 1.5082531664865388
Energy: 1.5085985613812083
Energy: 1.507382071192439
Energy: 1.5072033290776237
Energy: 1.5086467124919798
Energy: 1.5066791835749078
Energy: 1.5078672635039148
Energy: 1.5071919596458403
Energy: 1.5216511280836154
Energy: 1.5512970916578714
Energy: 1.5517706910579747
Energy: 1.68078836063552
Energy: 1.5506297477870754
Energy: 1.680503580829218
Energy: 1.5189340948087937
Energy: 1.6799575089186842
Energy: 1.5080480417078186
Energy: 1.509264218911819
Energy: 1.678089606119941
Energy: 1.5097604514188119
Energy: 1.5001343252829034
Energy: 1.5087011073415804
Energy: 1.5093945180453066
Energy: 1.5175676446000583
Energy: 1.5094053241596208
Energy: 1.492576706643168
Energy: 1.523593130995794
Energy: 1.5092024047163053
Energy: 1.5097518701767196
Energy: 1.5075931442040331
Energy: 1.508140859948773
Energy: 1.5110662666028951
Energy: 1.4934853744458918
Energy: 1.5073970051863532
Energy: 1.5080354017817672
Energy: 1.5082109083473232
Energy: 1.508368044661942
Energy: 1.5087689222759868
Energy: 1.507651668627636
Energy: 1.5081332622752832
Energy: 1.5084968672432784
Energy: 1.5205122500547408
Energy: 1.5086055642864247
Energy: 1.5199644025793215
Energy: 1.5175276279656236
Energy: 1.5092892419408885
Energy: 1.4954080705715949
Energy: 1.4952318736136372
Energy: 1.508108458596206
Energy: 1.5091052077930633
Energy: 1.5076332518804054
Energy: 1.5096330094820718
Energy: 1.560371450768366
Energy: 1.495096601308134
Energy: 1.5077537368105398
Energy: 1.511766409501892
Energy: 1.510711317980765
Energy: 1.5081525683973367
Energy: 1.5102533873172859
Energy: 1.5204242934370555
Energy: 1.5091424722147293
Energy: 1.4927514289090924
Energy: 1.5090133843589961
Energy: 1.5588922508364005
Energy: 1.5078562221643121
Energy: 1.5069098622009973
Energy: 1.5076892969075655
Energy: 1.506513341297536
Energy: 1.5150776940273618
Energy: 1.5080345064030682
Energy: 1.4890261356656045
Energy: 1.4913392507411491
Energy: 1.508278251646409
Energy: 1.5068082336310065
Energy: 1.5080194075535638
Energy: 1.5070643039229898
Energy: 1.5089601552311624
Energy: 1.4924868919364105
Energy: 1.5075439927035161
Energy: 1.5069720456455316
Energy: 1.4916018513775218
Energy: 1.5089363266361207
Energy: 1.5084640742363695
Energy: 1.5187972604624194
Energy: 1.508130788853734
Energy: 1.5090803231213885
Energy: 1.5088808543248924
Energy: 1.5107177512716228
Energy: 1.5077616927349162
Energy: 1.508292731160831
Energy: 1.5089468850086616
Energy: 1.5084388853594863
Energy: 1.5167785801879645
Energy: 1.680197993841891
Energy: 1.5520708451509846
Energy: 1.5189138937045616
Energy: 1.5451645350173435
Energy: 1.510240150915035
Energy: 1.5187806442772676
Energy: 1.551341620135666
Energy: 1.5096899724847395
Energy: 1.5072991900218238
Energy: 1.6818171641826334
Energy: 1.6806015205948057
Energy: 1.507193715744517
Energy: 1.5076231461933627
Energy: 1.5399799033335944
Energy: 1.5073091111056427
Energy: 1.508396374420425
Energy: 1.509050995135637
Energy: 1.5194639574380722
Energy: 1.5090883500353993
Energy: 1.5075455080904052
Energy: 1.5190299700644632
Energy: 1.50796940929446
Energy: 1.5112779498828248
Energy: 1.5096798197752754
Energy: 1.5080223040454277
Energy: 1.5073651377352768
Energy: 1.509362389485845
Energy: 1.5072909387433104
Energy: 1.5084379583607275
Energy: 1.4934996472293234
Energy: 1.5081059481135721
Energy: 1.5104913360188832
Energy: 1.5183053826415402
Energy: 1.5092141269473294
Energy: 1.5082436780146515
Energy: 1.5084441108700022
Energy: 1.5091581363826423
Energy: 1.5488962286259844
Energy: 1.495732937368506
Energy: 1.5079328109024523
Energy: 1.5160932459729388
Energy: 1.5198364947142962
Energy: 1.511128541603884
Energy: 1.4943919556973506
Energy: 1.4955831832420043
Energy: 1.5082979370378178
Energy: 1.517566804905322
Energy: 1.5127487269669144
Energy: 1.5075963966314994
Energy: 1.5104133925820689
Energy: 1.5195158664947048
Energy: 1.5091166268662315
Energy: 1.552569882935086

minimum gb energy = 1.4890261356656045 eV
minimum distance =  2.29785879662091 Angstroms
sigma value = 101


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

Energy: 1.5126421688430107
Energy: 1.4818244720550053
Energy: 1.4830792480925288
Energy: 1.4814246267462026
Energy: 1.482451146023737
Energy: 1.4826122695874824
Energy: 1.4903180611388547
Energy: 1.4755674387151303
Energy: 1.487215775417084
Energy: 1.4737449299553376
Energy: 1.4745520691742127
Energy: 1.4844582267523383
Energy: 1.4850899045838246
Energy: 1.4761004419493646
Energy: 1.470869441318371
Energy: 1.4735895694827803
Energy: 1.4779864620666323
Energy: 1.4760365473751385
Energy: 1.4808050670772326
Energy: 1.4744899915870167
Energy: 1.476882836345273
Energy: 1.4787787376235795
Energy: 1.4783825440282383
Energy: 1.4741389120578394
Energy: 1.4897020002747123
Energy: 1.4941713115314394
Energy: 1.4912372174673576
Energy: 1.4928956056980598
Energy: 1.4913818267288432
Energy: 1.4707157077166373
Energy: 1.4787267096516055
Energy: 1.4726375080416296
Energy: 1.4948111457202045
Energy: 1.4907410419443157
Energy: 1.4928718487422177
Energy: 1.485901873810939
Energy: 1.4775909412677821
Energy: 1.6309191846776387
Energy: 1.6341226384100684
Energy: 1.640713130411927
Energy: 1.633609774436318
Energy: 1.478291531421496
Energy: 1.4799949988674015
Energy: 1.474871019894935
Energy: 1.5007247625991817
Energy: 1.4914154600322158
Energy: 1.4924217544845113
Energy: 1.4753199130591914
Energy: 1.4781324634496922
Energy: 1.6310264254159987
Energy: 1.6327856516448183
Energy: 1.4801250208116783
Energy: 1.633431041508073
Energy: 1.629427735877105
Energy: 1.4774538244502005
Energy: 1.4743937131090965
Energy: 1.4925970710143748
Energy: 1.4786773228063568
Energy: 1.6328036392942993
Energy: 1.4836117291517288
Energy: 1.4850452978304267
Energy: 1.4926829150935776
Energy: 1.4777107119520339
Energy: 1.491607172343632
Energy: 1.4928396816762561
Energy: 1.49225246076221
Energy: 1.4860129885369338
Energy: 1.4765936219829159
Energy: 1.4935594066752047
Energy: 1.4799224886208504
Energy: 1.4782366608046444
Energy: 1.493293014218747
Energy: 1.4798499375043277
Energy: 1.4765970459246038
Energy: 1.477052812240331
Energy: 1.4833651738878715
Energy: 1.477219403961044
Energy: 1.4801444958162189
Energy: 1.4833978860023473
Energy: 1.4767560037708467
Energy: 1.4720372948782874
Energy: 1.4779300137925802
Energy: 1.4753888635750978
Energy: 1.4974981215037217
Energy: 1.4673465092546718
Energy: 1.4940691834209414
Energy: 1.4821852977083994
Energy: 1.4802887252344066
Energy: 1.4940730114079663
Energy: 1.4748212240697964
Energy: 1.4730722269087158
Energy: 1.5168401317514926
Energy: 1.481394839850836
Energy: 1.491971051349477
Energy: 1.4911278928220708
Energy: 1.4870462485461058
Energy: 1.4836651220694932
Energy: 1.476005412439211
Energy: 1.4704436855828567
Energy: 1.4883468396068213
Energy: 1.475673741767152
Energy: 1.4903422099257206
Energy: 1.4842257847263018
Energy: 1.4922108737861286
Energy: 1.473570090050406
Energy: 1.4848572874039023
Energy: 1.4764342472005463
Energy: 1.484034420983874
Energy: 1.4895882634040496
Energy: 1.477549186980971
Energy: 1.4757632627664024
Energy: 1.4896752650394838
Energy: 1.476594849595003
Energy: 1.4786450349891476
Energy: 1.4758744827289854
Energy: 1.516655374243075
Energy: 1.4743448149362357
Energy: 1.4791561616089453
Energy: 1.4743904241283012
Energy: 1.4735336993592143
Energy: 1.4909223747272087
Energy: 1.4915625990469137
Energy: 1.4926826527771484
Energy: 1.4809464428941173
Energy: 1.4936693967105323
Energy: 1.497387957688068
Energy: 1.492352505332165
Energy: 1.492594190183473
Energy: 1.474432878178274
Energy: 1.4821824680937206
Energy: 1.4772746579025862
Energy: 1.4975762496555944
Energy: 1.4789716558436548
Energy: 1.6317326282160056
Energy: 1.4755979187169852
Energy: 1.4812673295363192
Energy: 1.63226837841356
Energy: 1.6334175215799174
Energy: 1.4911173245863136
Energy: 1.4940359911298564
Energy: 1.6309052354793898
Energy: 1.4778124453433183
Energy: 1.6323806295928676
Energy: 1.4965824667631191
Energy: 1.4789432757680567
Energy: 1.6310812583789456
Energy: 1.6301729176746
Energy: 1.4787470255310429
Energy: 1.754141781774746
Energy: 1.4925674320132174
Energy: 1.4793146738223455
Energy: 1.6335401789424309
Energy: 1.4706829289914347
Energy: 1.4807825692186787
Energy: 1.6312802012888725
Energy: 1.6317714359180926
Energy: 1.4930767376803347
Energy: 1.4957109581541914
Energy: 1.4925485098918805
Energy: 1.486570195314606
Energy: 1.4943990129592541
Energy: 1.4936867536117808
Energy: 1.4790443874261334
Energy: 1.4935669727027874
Energy: 1.4914111334991733
Energy: 1.4849594926786354
Energy: 1.493176350536096
Energy: 1.4940866766952248
Energy: 1.4808923326664343
Energy: 1.4764036898054718
Energy: 1.4747182580075013
Energy: 1.4790178191014627
Energy: 1.474788494839045
Energy: 1.4751861979587684
Energy: 1.4819195566949568
Energy: 1.4766534219043732
Energy: 1.476316379017899
Energy: 1.4940415512846803
Energy: 1.4918614986317174
Energy: 1.4723061278471166
Energy: 1.480463779248934
Energy: 1.485834664399569
Energy: 1.4778979588052557
Energy: 1.4712762575558187
Energy: 1.4938744786576463
Energy: 1.4823696713428804
Energy: 1.4891233977710634
Energy: 1.481214635981351
Energy: 1.4752067695481041
Energy: 1.4679897470784906
Energy: 1.4940958086799536
Energy: 1.487823233979117
Energy: 1.4851113384862378
Energy: 1.4761340879054576
Energy: 1.4814977603931454
Energy: 1.488581319456712
Energy: 1.476469237953916
Energy: 1.4739869728600716

minimum gb energy = 1.4673465092546718 eV
minimum distance =  2.31442649806651 Angstroms
sigma value = 33


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

Energy: 0.014521670146053161
Energy: 0.022309061888239414
Energy: 0.025926691427297203
Energy: 0.029329261259169893
Energy: 0.025614903643480853
Energy: 0.01967372755799876
Energy: 0.015165570220887326
Energy: 0.14554111635639722
Energy: 0.14426942478437904
Energy: 0.14188655812903542
Energy: 0.14613700682506747
Energy: 0.14402013065234617
Energy: 0.9690450086074235
Energy: 0.02603735688817526
Energy: 0.022255558426234116
Energy: 0.015402321577468783
Energy: 0.02572400662283278
Energy: 0.027355561471356794
Energy: 0.14166594378127492
Energy: 0.14554111635639722
Energy: 0.14426942478504642
Energy: 0.14188655812832873
Energy: 0.14613700682506747
Energy: 0.1440201306516395

minimum gb energy = 0.014521670146053161 eV
minimum distance =  2.45449548465945 Angstroms
sigma value = 1