Model name: model_name=MEAM_LAMMPS_LeeJang_2007_FeH__MO_095610951957_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.567322999238968
cohesive_energy=4.225801871834611
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.01686640638590326
Energy: 1.2949005653141281
Energy: 0.01686640638622531
Energy: 1.2949005653144499
Energy: 0.01686640638590326
Energy: 1.2949005653141281
Energy: 1.2949005653134837
Energy: 0.032729976543291954
Energy: 1.2949005653141281
Energy: 0.020328887720677136
Energy: 1.2949005653141281
Energy: 0.0313735118040591
Energy: 0.01686640638590326
Energy: 1.2949005653141281
Energy: 0.01686640638622531
Energy: 1.2949005653144499
Energy: 0.01686640638590326
Energy: 1.294900565313806
Energy: 1.2949005653141281
Energy: 0.025475542974212038
Energy: 1.2949005653141281
Energy: 0.030567987127401754
Energy: 1.2949005653141281
Energy: 0.022218969023077233
Energy: 0.01686640638590326
Energy: 1.2949005653141281
Energy: 0.01686640638590326
Energy: 1.2949005653144499
Energy: 0.01686640638590326
Energy: 1.2949005653141281
Energy: 1.2949005653141281
Energy: 0.029309062342531007
Energy: 1.2949005653144499
Energy: 0.031118458421923175
Energy: 1.2949005653141281
Energy: 0.029805840458102074

minimum gb energy = 0.01686640638590326 eV
minimum distance =  2.51302848972369 Angstroms
sigma value = 1


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

Energy: 0.914919255631856
Energy: 0.9291349730907448
Energy: 0.9149192550173993
Energy: 0.9291349730829929
Energy: 0.9149192556605386
Energy: 0.9291349731015978
Energy: 1.4354000177343287
Energy: 0.945768305041625
Energy: 1.4354000177428559
Energy: 0.945768305041625
Energy: 1.4354000177420807
Energy: 0.94576830504085
Energy: 0.9598216668973308
Energy: 1.0173839694372233
Energy: 0.9598216668981061
Energy: 1.0173839698943838
Energy: 0.9598216668965556
Energy: 1.0173839701903715
Energy: 1.0169807746663748
Energy: 0.8626576346567068
Energy: 1.0169807746694755
Energy: 0.862657634755933
Energy: 1.01698077466715
Energy: 0.8626576346280945
Energy: 1.0215402915545027
Energy: 1.0388017373231768
Energy: 1.021540291555278
Energy: 1.0388017373262777
Energy: 1.0215402915537275
Energy: 1.0388017373293783
Energy: 1.0689759888100532
Energy: 0.8887292861563355
Energy: 1.0689759888100532
Energy: 0.8887292861555603
Energy: 1.068975988809278
Energy: 0.8887292861563355
Energy: 0.8306124682111007
Energy: 0.9695954208038152
Energy: 0.8306124682924974
Energy: 0.9695954206573718
Energy: 0.8306124682165271
Energy: 0.9695954206527205
Energy: 0.9105874653253567
Energy: 1.0181214369848113
Energy: 0.9105874653284575
Energy: 1.018121438165662
Energy: 0.9105874653276822
Energy: 1.018121437314133
Energy: 0.9995541523423512
Energy: 1.0064516174787637
Energy: 0.9995541523439015
Energy: 1.0064516174787637
Energy: 0.9995541523431263
Energy: 1.006451617479539
Energy: 0.8834299978825485
Energy: 1.240097669203776
Energy: 0.8834299978825485
Energy: 1.2400976692061016
Energy: 0.8834299978809982
Energy: 1.2400976692045513
Energy: 1.3144243269579754
Energy: 0.8865082240020151
Energy: 1.3144243269634022
Energy: 0.8865082240082167
Energy: 1.3144243269579754
Energy: 0.886508224009767
Energy: 0.7453592435413191
Energy: 0.9214018601530302
Energy: 0.7453592434917058
Energy: 0.9214018654283096
Energy: 0.7453592435521719
Energy: 0.9214018557898164
Energy: 1.2390756937985752
Energy: 0.8148105922420897
Energy: 1.2390756937985752
Energy: 0.8148105922428649
Energy: 1.2390756937978
Energy: 0.8148105922405394
Energy: 0.8152919404879232
Energy: 1.0470724605921886
Energy: 0.8152926517230671
Energy: 1.0470724605983903
Energy: 0.8152915222591526
Energy: 1.047072460601491
Energy: 1.1608285398492506
Energy: 0.8195251673040489
Energy: 1.1608285384614199
Energy: 0.8195251672125745
Energy: 1.1608285400057718
Energy: 0.8195251672544357
Energy: 1.1751706118339684
Energy: 1.0140277682009127
Energy: 1.1751706121803447
Energy: 1.0140277682109904
Energy: 1.1751706117401686
Energy: 1.014027768213316
Energy: 1.0324813531323083
Energy: 0.9662528989444116
Energy: 1.0324813531299828
Energy: 0.966252898945187
Energy: 1.0324813531299828
Energy: 0.966252898945187
Energy: 1.0197557922726286
Energy: 0.9019616714158544
Energy: 1.0197557922695277
Energy: 0.9019616714057765
Energy: 1.0197557922679776
Energy: 0.9019616714174047
Energy: 0.9240884973642338
Energy: 1.0041068072763368
Energy: 0.9240884973665595
Energy: 1.0041068072763368
Energy: 0.9240884973642338
Energy: 1.004106807277112
Energy: 0.8872428974166172
Energy: 0.9050684359291978
Energy: 0.8872428974328964
Energy: 0.9050684359385003
Energy: 0.8872428974328964
Energy: 0.9050684359400508
Energy: 0.7846738879507381
Energy: 1.4350124254716492
Energy: 0.7846738879367844
Energy: 1.4350124254716492
Energy: 0.7846738879398852
Energy: 1.4350124254708743
Energy: 1.0925897198402819
Energy: 0.9594556817005336
Energy: 1.0925897198402819
Energy: 0.9594556816997585
Energy: 1.0925897198387318
Energy: 0.9594556816997585
Energy: 0.8209281733998963
Energy: 1.2978094935263649
Energy: 0.8209281733998963
Energy: 1.29780949352559
Energy: 0.8209281733998963
Energy: 1.2978094935263649

minimum gb energy = 0.7453592434917058 eV
minimum distance =  2.32838579683206 Angstroms
sigma value = 33


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

Energy: 0.9433966856842025
Energy: 1.071881307690546
Energy: 1.117842524627569
Energy: 1.0718813076328237
Energy: 0.9433966925654688
Energy: 1.071881307759733
Energy: 1.1340832033833324
Energy: 0.9111227699672804
Energy: 1.1340615246813976
Energy: 0.9111227699650757
Energy: 1.1341073305594422
Energy: 0.9111227699668393
Energy: 0.8134828946286409
Energy: 0.5783895558098174
Energy: 0.8134828944316232
Energy: 0.5783895723758521
Energy: 0.8134828945519583
Energy: 0.5783895885218764
Energy: 1.3799312178275325
Energy: 1.1523355317083497
Energy: 1.3799312178253278
Energy: 1.1523355317083497
Energy: 1.3799312178196357
Energy: 1.1523355317048223
Energy: 1.0363300354752334
Energy: 0.5382214279603055
Energy: 1.0363300354765563
Energy: 0.5382398426907535
Energy: 1.036330035472588
Energy: 0.538229774573072
Energy: 0.802870945794338
Energy: 0.7951433820054767
Energy: 0.8028709456317135
Energy: 0.755732677503599
Energy: 0.8028709456092257
Energy: 0.7951433827274069
Energy: 1.1779755248244836
Energy: 0.9191253668601973
Energy: 1.177975524829294
Energy: 1.0549612322123827
Energy: 1.1779755248332624
Energy: 0.919125367036491
Energy: 0.7727401271946269
Energy: 0.8802903536551122
Energy: 0.7727401272179965
Energy: 0.8802723020388692
Energy: 0.772740127227256
Energy: 0.8802778599253155
Energy: 0.9142473871222158
Energy: 0.8184057062509946
Energy: 0.9142473736677768
Energy: 0.8184057093789048
Energy: 0.9142473922374184
Energy: 0.8184057081161884
Energy: 0.9589017660702441
Energy: 1.0145707566049926
Energy: 0.9768027900134622
Energy: 1.0145704132698732
Energy: 0.958901766072008
Energy: 1.0145709103051876
Energy: 0.7387222275404822
Energy: 0.9790788309766997
Energy: 0.7387243246721247
Energy: 0.9790788309780224
Energy: 0.7387218761777063
Energy: 0.9790788309749359
Energy: 0.7594851836940144
Energy: 0.7999594119662354
Energy: 0.7915170118518082
Energy: 0.7999616981461994
Energy: 0.7594850758619651
Energy: 0.7999460953677024
Energy: 1.1884501513504329
Energy: 1.0000219866124023
Energy: 0.8338992507240621
Energy: 1.000021986613725
Energy: 1.1884501513504329
Energy: 1.0000219866150477
Energy: 1.0679283613234576
Energy: 0.915613914218502
Energy: 1.1639842979312418
Energy: 0.9156451503936766
Energy: 1.0679283613265442
Energy: 0.9156433710237064
Energy: 0.8581545298458734
Energy: 0.8784927005293235
Energy: 0.8581418409150334
Energy: 0.8784927005381422
Energy: 0.858136877514786
Energy: 0.8784927005112853
Energy: 0.7207618353355815
Energy: 0.9012318984938047
Energy: 0.7196351661692092
Energy: 0.9012318983611636
Energy: 0.7204159578779504
Energy: 0.9012318975241896
Energy: 1.319329412165106
Energy: 1.0831476475694386
Energy: 1.319329412163342
Energy: 1.0831476475725252
Energy: 1.319329412164224
Energy: 1.0831476475716435
Energy: 0.9320445653557095
Energy: 0.8796317626182137
Energy: 0.9320443672351979
Energy: 0.8571890758221958
Energy: 0.9320447078695129
Energy: 0.8796317626477563
Energy: 0.8437177477389934
Energy: 1.4302928456161599
Energy: 0.8437177477411981
Energy: 0.6156755647461172
Energy: 0.8437177477297338
Energy: 1.430292845590185
Energy: 1.1222780170555986
Energy: 1.0892117611307621
Energy: 1.1222779762220045
Energy: 1.114991585931879
Energy: 1.1222780096432468
Energy: 1.089211761131203
Energy: 0.8131157654718634
Energy: 0.9853922660422215
Energy: 0.8131157654745089
Energy: 0.9810587061920537
Energy: 0.813115765474068
Energy: 0.9804517205357945
Energy: 0.6290189062963178
Energy: 0.8986070305274514
Energy: 0.6290184807223984
Energy: 0.8986070304807524
Energy: 0.6290193005945429
Energy: 0.8986070305265697
Energy: 0.969678106046977
Energy: 1.2097509771760346
Energy: 0.9550231394624301
Energy: 1.209750972898648
Energy: 0.9696781060482996
Energy: 1.2097509857805533
Energy: 0.7391745773835426
Energy: 0.8889325827143182
Energy: 0.7391760721366569
Energy: 0.8626175376600853
Energy: 0.7391763304316791
Energy: 0.8625335156284034
Energy: 0.9186408478328438
Energy: 0.9471377858491636
Energy: 0.8083568660568315
Energy: 0.9471377859703405
Energy: 0.9186408478315211
Energy: 0.9471377859716633
Energy: 1.2702566370322081
Energy: 0.8673568300773269
Energy: 1.0516948163334965
Energy: 0.8673568193325514
Energy: 1.2702566370617108
Energy: 0.8673568384601759
Energy: 0.8720068604234135
Energy: 0.772269250500058
Energy: 1.0664740500266652
Energy: 0.7722694754381743
Energy: 0.8720067770378229
Energy: 0.7722695142280763
Energy: 0.7526176712831041
Energy: 0.9524731164542832
Energy: 0.7526054696300558
Energy: 0.9524731164547242
Energy: 0.75150701747749
Energy: 0.9524731164547242
Energy: 0.9805733833864296
Energy: 1.002307164372221
Energy: 0.9805736124159785
Energy: 1.0023071643731027
Energy: 0.9805735215990758
Energy: 1.0023071643753074
Energy: 0.9644553569552671
Energy: 0.683617323041196
Energy: 0.9644553569552671
Energy: 0.6836174528167585
Energy: 0.9644553569548262
Energy: 0.6836171932299582
Energy: 0.946043929883752
Energy: 0.7128879026497167
Energy: 0.9463031798047511
Energy: 0.7220780007482249
Energy: 0.9460224252229685
Energy: 0.7128878925651807
Energy: 0.9503299783016502
Energy: 0.9485289358896682
Energy: 0.9503299782496601
Energy: 0.7760863952514904
Energy: 0.9503299782038029
Energy: 0.948616600785928
Energy: 0.9513555473956437
Energy: 0.9899959587886251
Energy: 0.9513555523795281
Energy: 1.0791201557980612
Energy: 0.9513555575163363
Energy: 0.9899959589463996
Energy: 0.9231889565870752
Energy: 0.8765720679133286
Energy: 0.9231889565866344
Energy: 0.8770717765311536
Energy: 0.9231889565866344
Energy: 0.8776413692573041
Energy: 0.6708418949943753
Energy: 0.8525961867757911
Energy: 0.6708418949877613
Energy: 0.8525961867316976
Energy: 0.6708418949939342
Energy: 0.8525961868229309
Energy: 1.1280856545990625
Energy: 1.1129228324754858
Energy: 1.1280856545990625
Energy: 1.112917411353857
Energy: 1.1280856545986215
Energy: 1.1129298645286099
Energy: 0.8545178713565721
Energy: 0.8608540441077325
Energy: 0.8312674012551355
Energy: 0.8608546192530148
Energy: 0.8545170104648394
Energy: 0.8608536005239179
Energy: 1.0468445950300413
Energy: 0.8438566425707095
Energy: 0.7465241252167248
Energy: 0.8438566426606201
Energy: 1.0468445951292116
Energy: 0.8438566426051024
Energy: 1.0733769056489821
Energy: 1.1913448155470787
Energy: 0.8546943712347356
Energy: 1.1913448155413466
Energy: 1.0733769056507458
Energy: 1.191344815547961
Energy: 1.0950409278618387
Energy: 0.7620351629042437
Energy: 1.0950409260896021
Energy: 0.7620351620818204
Energy: 1.0950409281932612
Energy: 0.7620351627429418
Energy: 0.8852607560981732
Energy: 0.7014776877994986
Energy: 0.8852607560078217
Energy: 0.7014776874971377
Energy: 0.8852607560276237
Energy: 0.7014776891428661

minimum gb energy = 0.5382214279603055 eV
minimum distance =  2.34800200028383 Angstroms
sigma value = 51


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

Energy: 0.872328014774706
Energy: 0.9272716714367925
Energy: 0.8723280147757276
Energy: 0.9272716714408791
Energy: 0.8723280147767493
Energy: 0.9272716714184029
Energy: 1.372604673999769
Energy: 0.963136824896278
Energy: 1.3726046742765403
Energy: 0.963136824896278
Energy: 1.372604674128449
Energy: 0.963136824896278
Energy: 0.9239433106299751
Energy: 1.1137366315599184
Energy: 0.9239433106309968
Energy: 1.1137366315608934
Energy: 0.9239433106289534
Energy: 1.1137366315608934
Energy: 1.073115178210232
Energy: 0.8506773985135997
Energy: 1.073115178210232
Energy: 0.8506773985135997
Energy: 1.073115178210232
Energy: 0.850677398512578
Energy: 1.1188208567827744
Energy: 0.9106343443610455
Energy: 1.1188208567837958
Energy: 0.9106343443651322
Energy: 1.1188208567848175
Energy: 0.9106343443579807
Energy: 1.0923295827691872
Energy: 0.9250652766294504
Energy: 1.0923295827691872
Energy: 0.9250652783828153
Energy: 1.0923295827691872
Energy: 0.9250652766621429
Energy: 0.9957301077865877
Energy: 0.9227731740417638
Energy: 0.9957301077855661
Energy: 0.9227731740448286
Energy: 0.9957301077855661
Energy: 0.9227731740438071
Energy: 0.9236937136159578
Energy: 1.1693530179216094
Energy: 0.9236937136149361
Energy: 1.1693530179236524
Energy: 0.9236937136088063
Energy: 1.169353017925696
Energy: 1.150223932537075
Energy: 0.8443498683448871
Energy: 1.1502239320377257
Energy: 0.8443498683448871
Energy: 1.1502239323604242
Energy: 0.8443498683408006
Energy: 0.8092785268664373
Energy: 1.031977354765427
Energy: 0.8092785268950433
Energy: 1.03197735417009
Energy: 0.8092785268858486
Energy: 1.0319773541721333
Energy: 1.2448157635701496
Energy: 0.8821989272644398
Energy: 1.2448157635629982
Energy: 0.8821989272644398
Energy: 1.2448157635793444
Energy: 0.8821989272644398
Energy: 0.9339177112835652
Energy: 1.0679786941661737
Energy: 0.9339177112845868
Energy: 1.0679786941651521
Energy: 0.9339177112845868
Energy: 1.0679786941651521
Energy: 1.3061304993872171
Energy: 0.9352854965545042
Energy: 1.3061304993861955
Energy: 0.9352854965524608
Energy: 1.3061304993872171
Energy: 0.9352854965555258
Energy: 1.0233122111700899
Energy: 0.8286605718724844
Energy: 1.023312211173155
Energy: 0.8286605712464983
Energy: 1.0233122111711117
Energy: 0.8286605743662127
Energy: 0.9613159754918567
Energy: 0.9749486027641556
Energy: 0.9613159754898134
Energy: 0.9749486027651773
Energy: 0.9613159755000297
Energy: 0.9749486027651773
Energy: 1.014964401553888
Energy: 0.9269471649909904
Energy: 1.0149644013966481
Energy: 0.9269471648817216
Energy: 1.0149644015988397
Energy: 0.9269471648102532
Energy: 1.0381010616548938
Energy: 0.9851098659674663
Energy: 1.0381010616548938
Energy: 0.9851242885891165
Energy: 1.0381010616548938
Energy: 0.9851054114143218
Energy: 1.1066355677820212
Energy: 0.9261000548606745
Energy: 1.1066355677820212
Energy: 0.9261000548616961
Energy: 1.1066355677820212
Energy: 0.9261000548616961

minimum gb energy = 0.8092785268664373 eV
minimum distance =  2.28133588854241 Angstroms
sigma value = 19


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

Energy: 0.7776668060240056
Energy: 1.1743310120217967
Energy: 0.7776668060227936
Energy: 1.1743310120199788
Energy: 0.7776668060246116
Energy: 1.1743310120205845
Energy: 1.2197008253216763
Energy: 0.9690565661531891
Energy: 1.2197008253216763
Energy: 0.9690565661537951
Energy: 1.2197008253210704
Energy: 0.9690565661550071
Energy: 0.8515374847535566
Energy: 0.9483989771853285
Energy: 0.8515374847535566
Energy: 0.9483989907344538
Energy: 0.8515374847517387
Energy: 0.9483989845813648
Energy: 0.8848167254747388
Energy: 0.8573647834548319
Energy: 0.884816725502009
Energy: 0.8573647834548319
Energy: 0.8848167254529501
Energy: 0.8573647834548319
Energy: 0.7796688948246433
Energy: 0.7820913011016832
Energy: 0.7796688948361298
Energy: 0.7820913876834026
Energy: 0.779668894844614
Energy: 0.7820912832978401
Energy: 1.044103430988318
Energy: 0.673052640611156
Energy: 1.044103430988318
Energy: 0.6730530136201778
Energy: 1.0441034309889239
Energy: 0.6730509991075659
Energy: 0.7137549779000804
Energy: 0.8693931076159617
Energy: 0.7137549778988683
Energy: 0.8693931076159617
Energy: 0.7137549779012924
Energy: 0.8693931076165676
Energy: 0.8720372355800969
Energy: 0.9549583049440126
Energy: 0.8720372355807029
Energy: 0.9549583049191938
Energy: 0.8720372355800969
Energy: 0.9549583048919235
Energy: 1.2177721645924933
Energy: 0.9602619880270269
Energy: 1.2177721645924933
Energy: 0.9602619879882422
Energy: 1.2177721645937052
Energy: 0.9602619880252087
Energy: 0.7776668060221876
Energy: 1.1743310120266446
Energy: 0.7776668060215816
Energy: 1.1743310120242207
Energy: 0.7776668060215816
Energy: 1.1743310120278567
Energy: 1.2197008253216763
Energy: 0.9690565661562192
Energy: 1.2197008253192523
Energy: 0.9690565661550071
Energy: 1.2197008253216763
Energy: 0.9690565661556132
Energy: 0.8515374847517387
Energy: 0.9483993759617826
Energy: 0.8515374847559807
Energy: 0.948399392569892
Energy: 0.8515374847535566
Energy: 0.9483994227707868
Energy: 0.8848167258000266
Energy: 0.857364783455438
Energy: 0.8848167257897245
Energy: 0.857364783455438
Energy: 0.8848167257873005
Energy: 0.857364783455438
Energy: 0.7796688948682482
Energy: 0.7820909678545237
Energy: 0.779668894896097
Energy: 0.7820909906902332
Energy: 0.7796688948712782
Energy: 0.7820911718039566
Energy: 1.0441034309889239
Energy: 0.6730513281485158
Energy: 1.0441034309889239
Energy: 0.673049410226237
Energy: 1.0441034309889239
Energy: 0.6730493569843067
Energy: 0.7137549779000804
Energy: 0.8693931076159617
Energy: 0.7137549778994744
Energy: 0.8693931076165676
Energy: 0.7137549778988683
Energy: 0.8693931076171737
Energy: 0.8720372355807029
Energy: 0.9549583061712312
Energy: 0.8720372355800969
Energy: 0.9549583061318682
Energy: 0.8720372355807029
Energy: 0.9549583062227417
Energy: 1.2177721645937052
Energy: 0.9602619873709969
Energy: 1.2177721645943114
Energy: 0.9602619873837231
Energy: 1.2177721645937052
Energy: 0.960261987372815
Energy: 0.7776668060221876
Energy: 1.1743310120290686
Energy: 0.7776668060240056
Energy: 1.1743310120205845
Energy: 0.7776668060227936
Energy: 1.174331012028463
Energy: 1.2197008253204644
Energy: 0.9690565661550071
Energy: 1.2197008253228885
Energy: 0.9690565661550071
Energy: 1.2197008253228885
Energy: 0.9690565661544012
Energy: 0.8515374847529507
Energy: 0.9483987327828827
Energy: 0.8515374847553747
Energy: 0.9483987295906597
Energy: 0.8515374847541627
Energy: 0.9483987289079933
Energy: 0.8848167257612697
Energy: 0.8573647834560439
Energy: 0.8848167257291514
Energy: 0.857364783455438
Energy: 0.8848167257558157
Energy: 0.857364783455438
Energy: 0.779668894896703
Energy: 0.7820914428485504
Energy: 0.779668894899127
Energy: 0.7820913842549198
Energy: 0.779668894906399
Energy: 0.7820913786730471
Energy: 1.04410343098953
Energy: 0.6730515146303013
Energy: 1.04410343098953
Energy: 0.6730508987186727
Energy: 1.04410343098953
Energy: 0.6730528729939274
Energy: 0.7137549779025044
Energy: 0.8693931076165676
Energy: 0.7137549778988683
Energy: 0.8693931076159617
Energy: 0.7137549778976563
Energy: 0.8693931076159617
Energy: 0.8720372355800969
Energy: 0.9549583039578743
Energy: 0.8720372355800969
Energy: 0.9549583038918472
Energy: 0.8720372355807029
Energy: 0.9549583039699944
Energy: 1.2177721645949173
Energy: 0.9602619884516447
Energy: 1.2177721645943114
Energy: 0.9602619884970675
Energy: 1.2177721645955235
Energy: 0.9602619884631587
Energy: 0.7776668060227936
Energy: 1.1743310120205845
Energy: 0.7776668060233995
Energy: 1.1743310120333108
Energy: 0.7776668060233995
Energy: 1.1743310120224026
Energy: 1.2197008253216763
Energy: 0.9690565661537951
Energy: 1.2197008253234944
Energy: 0.9690565661544012
Energy: 1.2197008253198585
Energy: 0.9690565661544012
Energy: 0.8515374847523446
Energy: 0.9483992332166847
Energy: 0.8515374847517387
Energy: 0.9483992240646063
Energy: 0.8515374847547686
Energy: 0.9483992464853668

minimum gb energy = 0.6730493569843067 eV
minimum distance =  2.29828475684755 Angstroms
sigma value = 27


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

Energy: 0.7077752945532078
Energy: 0.6896512534400523
Energy: 0.7077752945532078
Energy: 0.6896512534400523
Energy: 0.7077752945517234
Energy: 0.6896512534430211
Energy: 1.5767263437830106
Energy: 0.6973014154806997
Energy: 1.576726343784495
Energy: 0.6973014173546963
Energy: 1.5767263437830106
Energy: 0.6973014167448749
Energy: 0.801879484287828
Energy: 0.69761449301595
Energy: 0.801879484287828
Energy: 0.6976144941851231
Energy: 0.801879484287828
Energy: 0.6976144933853988
Energy: 1.1059523418731134
Energy: 0.663177672441337
Energy: 1.1059523418731134
Energy: 0.663177672441337
Energy: 1.1059523418731134
Energy: 0.663177672441337
Energy: 1.1088020451348475
Energy: 0.7457248921499291
Energy: 1.1088020451333631
Energy: 0.745724892152898
Energy: 1.1088020451170346
Energy: 0.7457248921514135
Energy: 0.9367896609355835
Energy: 0.7751818571423458
Energy: 0.9367896609326147
Energy: 0.7751818566764443
Energy: 0.9367896609355835
Energy: 0.7751818568856446
Energy: 0.708124892925358
Energy: 0.706710077389998
Energy: 0.7081248929312954
Energy: 0.706710077389998
Energy: 0.708124892925358
Energy: 0.706710077389998
Energy: 0.7532154665768785
Energy: 0.7864884937195107
Energy: 0.7532154665753942
Energy: 0.786488493720995
Energy: 0.7532154665768785
Energy: 0.786488493720995
Energy: 1.0748747487421821
Energy: 0.7995875972824146
Energy: 1.0748747487689012
Energy: 0.799587597283899
Energy: 1.0748747487941026
Energy: 0.7995875972809302
Energy: 0.8533978058639413
Energy: 1.0177220098933764
Energy: 0.8533978058594881
Energy: 1.0177220098933764
Energy: 0.8533978058580037
Energy: 1.0177220098963453
Energy: 0.7402586472442041
Energy: 0.7007236295714723
Energy: 0.7402587120231603
Energy: 0.7007236295714723
Energy: 0.740258676174322
Energy: 0.7007236295699879
Energy: 0.9162979477690976
Energy: 0.9119375734838631
Energy: 0.9162979477705819
Energy: 0.9119375735268772
Energy: 0.9162979477690976
Energy: 0.9119375736233298

minimum gb energy = 0.663177672441337 eV
minimum distance =  2.27838257715181 Angstroms
sigma value = 9


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

Energy: 0.7212240939532144
Energy: 0.6405261020262333
Energy: 0.7212240939523802
Energy: 0.6405260662072715
Energy: 0.7212240939523802
Energy: 0.6405259989171286
Energy: 0.9196710399142217
Energy: 0.590010360638702
Energy: 0.9196710399484225
Energy: 0.5900103606636891
Energy: 0.9196710410306757
Energy: 0.5900103605986622
Energy: 0.7502907039067082
Energy: 0.8092932323148064
Energy: 0.7502907039071252
Energy: 0.8092932324456945
Energy: 0.7502907039075422
Energy: 0.8092932322385182
Energy: 0.5666342744269867
Energy: 0.5904380779983875
Energy: 0.5666342744261524
Energy: 0.5904380780050609
Energy: 0.5666342744274037
Energy: 0.5904380779963021
Energy: 0.6004796140920489
Energy: 0.6109467019165883
Energy: 0.6004796140841242
Energy: 0.6109462991575811
Energy: 0.6004796140878781
Energy: 0.6109421779249248
Energy: 0.6170413437589862
Energy: 0.6351262455399961
Energy: 0.6170413438611335
Energy: 0.6351262448220836
Energy: 0.6170413552436917
Energy: 0.6351262448233348
Energy: 0.7248310391404741
Energy: 0.5705091705741149
Energy: 0.7248310391546547
Energy: 0.5705091705770344
Energy: 0.7248310391534035
Energy: 0.5705091705732808
Energy: 0.5809343561382672
Energy: 0.7491741078301393
Energy: 0.5809343561382672
Energy: 0.7491741078447371
Energy: 0.5809343561386843
Energy: 0.7491741078276368
Energy: 0.9369087983439348
Energy: 0.6214170382851402
Energy: 0.9369086796170276
Energy: 0.6214170382868084
Energy: 0.9369089918542876
Energy: 0.6214170382713764
Energy: 0.6992194983427438
Energy: 1.0197767367582302
Energy: 0.6992194983431609
Energy: 1.0197767366960848
Energy: 0.6992194983456632
Energy: 1.0197767366715151
Energy: 0.6719169096887732
Energy: 0.497302486171489
Energy: 0.6719169096866877
Energy: 0.49730247189900467
Energy: 0.6719169096875219
Energy: 0.49730247828753177
Energy: 0.6656098746279638
Energy: 0.8955037015835747
Energy: 0.6656098746275468
Energy: 0.895503701599803
Energy: 0.6656098746279638
Energy: 0.8955037015939639
Energy: 1.0083464675273297
Energy: 0.685424902406397
Energy: 1.0083464688447035
Energy: 0.6854249027941319
Energy: 1.0083464667160287
Energy: 0.6854249025210567
Energy: 0.7499051152549503
Energy: 1.0967753712711268
Energy: 0.7499051152562015
Energy: 1.0967753713603445
Energy: 0.7499051152562015
Energy: 1.0967753714416377
Energy: 0.5729945964014929
Energy: 0.5464823340936835
Energy: 0.5729945964060807
Energy: 0.5464823340941007
Energy: 0.5729945964069149
Energy: 0.5464823340886786
Energy: 0.7309458051122926
Energy: 0.6683109639084398
Energy: 0.7309458051102451
Energy: 0.6683109637833529
Energy: 0.7309458051060742
Energy: 0.6683109638917565
Energy: 0.9611755644521811
Energy: 0.9203941812583691
Energy: 0.9611755644521811
Energy: 0.920394181257952
Energy: 0.961175564451347
Energy: 0.9203941812583691
Energy: 0.5775144786897362
Energy: 0.4971065734673693
Energy: 0.5775144787085048
Energy: 0.49710660421479863
Energy: 0.5775144787160122
Energy: 0.49710666057180847
Energy: 0.5764094915540616
Energy: 1.0207105707568447
Energy: 0.5764094915528104
Energy: 1.0207105707263975
Energy: 0.5764094915615691
Energy: 1.020710570793093
Energy: 0.9861439239870237
Energy: 0.8441399272034087
Energy: 0.9861439239695061
Energy: 0.8441399272034087
Energy: 0.9861439239845212
Energy: 0.8871559694304577
Energy: 0.5422804386160054
Energy: 0.8613782197384713
Energy: 0.5422804385960234
Energy: 0.8613782198743644
Energy: 0.5422804386110005
Energy: 0.861378219953155
Energy: 0.5795065847971167
Energy: 0.49087961512666073
Energy: 0.5795065847804334
Energy: 0.49087961510664074
Energy: 0.5795065847971167
Energy: 0.49087961512707773
Energy: 0.9517431244055323
Energy: 0.8841001984262165
Energy: 0.951743124404281
Energy: 0.8841001984495351
Energy: 0.9517431244034468
Energy: 0.8841001984549572
Energy: 0.706546886121024
Energy: 0.846239158933818
Energy: 0.7065468515727605
Energy: 0.8462391589109163
Energy: 0.7065467650728254
Energy: 0.8462391589342351
Energy: 0.5692972755565087
Energy: 0.550702915364211
Energy: 0.5692972755631441
Energy: 0.5507029153608743
Energy: 0.5692972755652296
Energy: 0.550702915364211
Energy: 0.6924785733318494
Energy: 0.784246450468292
Energy: 0.6924785815051101
Energy: 0.7842464505295652
Energy: 0.6924785778960201
Energy: 0.7842464505020378
Energy: 0.7549111743089817
Energy: 0.7135619880061354
Energy: 0.7549111744995126
Energy: 0.7135619880069695
Energy: 0.754911174365667
Energy: 0.7135619880061354
Energy: 0.6528088006118248
Energy: 0.7726158403421021
Energy: 0.6528088006109906
Energy: 0.7726158403412678
Energy: 0.6528088006109906
Energy: 0.7726158403421021
Energy: 0.6006189402186394
Energy: 0.47885692413729153
Energy: 0.6006189402019562
Energy: 0.4788569242744358
Energy: 0.6006189402102977
Energy: 0.478856923983464
Energy: 0.6847422385431396
Energy: 0.9054579222210878
Energy: 0.6847422385456422
Energy: 0.90545747018986
Energy: 0.6847422385456422
Energy: 0.9054579517391097
Energy: 1.025008714780761
Energy: 0.5936699351316185
Energy: 1.0250087147803437
Energy: 0.5936699582243722
Energy: 1.0250087147811782
Energy: 0.5936699488250029
Energy: 0.5748589778625587
Energy: 0.7579059171487847
Energy: 0.5748589778633928
Energy: 0.7579059171479506
Energy: 0.5748589778625587
Energy: 0.7579059171479506
Energy: 0.695242374028678
Energy: 0.6190415290616598
Energy: 0.6952423740274267
Energy: 0.6190415290562756
Energy: 0.695242374048698
Energy: 0.6190415290583232
Energy: 0.6904640339285792
Energy: 0.7700158688425667
Energy: 0.6904640339310818
Energy: 0.770015868848823
Energy: 0.690464033922323
Energy: 0.7700158688826066
Energy: 0.6052010759271605
Energy: 0.8862609115976238
Energy: 0.6052010759259093
Energy: 0.8862609115980408
Energy: 0.6052010759259093
Energy: 0.8862609115976238
Energy: 0.5872014194106308
Energy: 0.443342501436115
Energy: 0.5872014194397887
Energy: 0.44334250114468815
Energy: 0.5872014193668371
Energy: 0.44334250075699105
Energy: 0.5935564223161695
Energy: 0.7777388439375843
Energy: 0.5935564223145012
Energy: 0.7777385580911381
Energy: 0.5935564223165866
Energy: 0.777744771277041
Energy: 1.2366260708532455
Energy: 0.7584328745915896
Energy: 1.236626070851577
Energy: 0.7584328745924239
Energy: 1.2366260708524113
Energy: 0.7967566084211822
Energy: 0.721224093930692
Energy: 0.6405261542684598
Energy: 0.7212240939369482
Energy: 0.6405262498567723
Energy: 0.7212240939252699
Energy: 0.6405261938683116
Energy: 0.9196710363843776
Energy: 0.5900103612077541
Energy: 0.9196710376709251
Energy: 0.5900103612135932
Energy: 0.9196710367153893
Energy: 0.590010361211925
Energy: 0.7502907039046226
Energy: 0.8092932330919067
Energy: 0.7502907039046226
Energy: 0.8092932332161216
Energy: 0.7502907039054568
Energy: 0.8092932330914898
Energy: 0.5666342744257353
Energy: 0.5904380779671063
Energy: 0.5666342744253183
Energy: 0.5904380779679405
Energy: 0.5666342744253183
Energy: 0.5904380779666893
Energy: 0.6004796140895464
Energy: 0.6110709072014404
Energy: 0.6004796140920489
Energy: 0.6110977645399706
Energy: 0.6004796140761998
Energy: 0.6110720843695738

minimum gb energy = 0.44334250075699105 eV
minimum distance =  2.34343662766683 Angstroms
sigma value = 57


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

Energy: 0.3872719203821236
Energy: 0.40032742838395885
Energy: 0.3872719203821236
Energy: 0.4003274283830094
Energy: 0.3872719203821236
Energy: 0.40032742838395885
Energy: 0.23917687837663937
Energy: 0.35602117458654564
Energy: 0.23917687837189228
Energy: 0.3560211746719511
Energy: 0.23917687837568996
Energy: 0.356021174642562
Energy: 0.24108453379478
Energy: 0.17109857797791592
Energy: 0.24108453379478
Energy: 0.17109857920785937
Energy: 0.24108453379383057
Energy: 0.17109857804817374
Energy: 0.3766971695232424
Energy: 0.3877557737776804
Energy: 0.3766971695232424
Energy: 0.38775577377858667
Energy: 0.3766971695241918
Energy: 0.3877557737776804
Energy: 0.2284852538339672
Energy: 0.14780087346223966
Energy: 0.2284852538339672
Energy: 0.14780087345749252
Energy: 0.2284852538339672
Energy: 0.1478008734536948
Energy: 0.3579112139160136
Energy: 0.27847294242725923
Energy: 0.3579112139169199
Energy: 0.27847294242441095
Energy: 0.3579112139160136
Energy: 0.27847294242725923
Energy: 0.3558111152513096
Energy: 0.18946752741300796
Energy: 0.3558111152513096
Energy: 0.1894675275800645
Energy: 0.3558111152513096
Energy: 0.18946752785906743
Energy: 0.04642990527525743
Energy: 0.1965312969460252
Energy: 0.04642988051468332
Energy: 0.19653129694697463
Energy: 0.046429927460243645
Energy: 0.19653129694507576
Energy: 0.3617029841499467
Energy: 0.378038404073782
Energy: 0.361702984152795
Energy: 0.378038404073782
Energy: 0.3617029841499467
Energy: 0.378038404073782
Energy: 0.1714798220742309
Energy: 0.3131465942561257
Energy: 0.17147955124810704
Energy: 0.3131465942561257
Energy: 0.17147976070566326
Energy: 0.3131465942551762
Energy: 0.29424820856762024
Energy: 0.3595644487000472
Energy: 0.2942482085609742
Energy: 0.3595644487095415
Energy: 0.29424820856667083
Energy: 0.3595644486934012
Energy: 0.3872719203821236
Energy: 0.4003274283830094
Energy: 0.3872719203821236
Energy: 0.4003274283830094
Energy: 0.38727192038307306
Energy: 0.40032742838395885
Energy: 0.23917687839657742
Energy: 0.3560211754235545
Energy: 0.23917687839752683
Energy: 0.3560211755953582
Energy: 0.23917687839467858
Energy: 0.3560211757386358
Energy: 0.2410845337919317
Energy: 0.17109859530112992
Energy: 0.24108453379383057
Energy: 0.17109859631468963
Energy: 0.24108453379478
Energy: 0.17109859463398266
Energy: 0.37669716952229293
Energy: 0.3877557737776804
Energy: 0.37669716952134347
Energy: 0.38775577377858667
Energy: 0.37669716952229293
Energy: 0.3877557737776804
Energy: 0.2284852538358661
Energy: 0.14780087330467745
Energy: 0.22848525383681553
Energy: 0.14780087335214895
Energy: 0.2284852538358661
Energy: 0.1478008733464524
Energy: 0.3579112139178693
Energy: 0.2784729424320064
Energy: 0.3579112139169199
Energy: 0.2784729424320064
Energy: 0.3579112139169199
Energy: 0.27847294243105697
Energy: 0.35581111525225906
Energy: 0.189467525202778
Energy: 0.3558111152503602
Energy: 0.18946752399751976
Energy: 0.3558111152494108
Energy: 0.18946752461723862
Energy: 0.04643115212723157
Energy: 0.19653129693842974
Energy: 0.046431075021257026
Energy: 0.1965312969374803
Energy: 0.046431142252814035
Energy: 0.1965312969374803

minimum gb energy = 0.04642988051468332 eV
minimum distance =  2.42688594754726 Angstroms
sigma value = 11


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

Energy: 0.049360548615748415
Energy: 0.7633563653504322
Energy: 0.049325711395180036
Energy: 0.7633563653511276
Energy: 0.06593557594677973
Energy: 0.7633563653511276
Energy: 0.30465866169459327
Energy: 0.5852364821742152
Energy: 0.3263209624236157
Energy: 0.5852364821749108
Energy: 0.3208862427901337
Energy: 0.5852364821763018
Energy: 0.6365443479618952
Energy: 0.07770969085975232
Energy: 0.6365443479639816
Energy: 0.11396186765377107
Energy: 0.63654434796885
Energy: 0.07049311986602526
Energy: 0.5457044320821522
Energy: 0.034441049382575493
Energy: 0.5457044326904411
Energy: 0.052439502334280304
Energy: 0.5457044305959192
Energy: 0.03326895676733648
Energy: 0.5635513047792352
Energy: 0.19184837968665702
Energy: 0.5635513047806261
Energy: 0.19184837973673136
Energy: 0.563551304783408
Energy: 0.1918483827468163
Energy: 0.5148760788343607
Energy: 0.6827824017963523
Energy: 0.5148760788531387
Energy: 0.6827824017366045
Energy: 0.514876078842011
Energy: 0.6827824017393864
Energy: 0.06570374739800856
Energy: 0.9065455952892466
Energy: 0.06570374732296032
Energy: 0.906545595286528
Energy: 0.06570374739314021
Energy: 0.9065455952906376
Energy: 0.7044596798590659
Energy: 0.1248772050916728
Energy: 0.7044596798576749
Energy: 0.1248772050979321
Energy: 0.7044596798583703
Energy: 0.12487720509445473
Energy: 0.7267727350786835
Energy: 0.18540339055932747
Energy: 0.7267727350786835
Energy: 0.18540339056071845
Energy: 0.7267727350786835
Energy: 0.185403390558632
Energy: 0.6847319378361826
Energy: 0.8047670333251056
Energy: 0.6847319378431375
Energy: 0.8047670333216282
Energy: 0.6847319378229686
Energy: 0.8047670333244101
Energy: 0.24341400288711348
Energy: 0.641193965080903
Energy: 0.2361064425510509
Energy: 0.6411939650739482
Energy: 0.2429597888798284
Energy: 0.6411939650558658
Energy: 0.5831651048598822
Energy: 0.22607969929465113
Energy: 0.5831651048619687
Energy: 0.22607969927239585
Energy: 0.5831651048612732
Energy: 0.22607969930925614
Energy: 0.7473833901467442
Energy: 0.03917704104546569
Energy: 0.7473833901397895
Energy: 0.03816932162799629
Energy: 0.747383390149526
Energy: 0.03961584612229747
Energy: 0.911494626827887
Energy: 0.7994241688861001
Energy: 0.9114946268466015
Energy: 0.7993800738448672
Energy: 0.9114946268251051
Energy: 0.7993662446389014
Energy: 0.28095101702953434
Energy: 0.8571857569153318
Energy: 0.279405341679888
Energy: 0.8571857569160272
Energy: 0.3045345147379003
Energy: 0.8571857569160272
Energy: 0.29537533952523404
Energy: 0.6249306176540829
Energy: 0.2953753395725265
Energy: 0.6249302316803172
Energy: 0.2953753395328843
Energy: 0.624930578933942
Energy: 0.3519530364603248
Energy: 0.6272295518288374
Energy: 0.3519530359910679
Energy: 0.6272295518281419
Energy: 0.35195303618017426
Energy: 0.6272295518288374
Energy: 0.9615781693452454
Energy: 0.5850893700109744
Energy: 0.9615781693452454
Energy: 0.5850859008689031
Energy: 0.961578169345941
Energy: 0.5850922266805842
Energy: 0.7614918424462235
Energy: 0.027071785017413707
Energy: 0.7614918424288365
Energy: 0.027507348504832906
Energy: 0.7614918424337049
Energy: 0.02740434980308572
Energy: 0.6457880683789535
Energy: 0.43049242334392684
Energy: 0.6457880683782581
Energy: 0.4304924234232111
Energy: 0.6457880683789535
Energy: 0.4304924234044333
Energy: 0.04780228028568629
Energy: 0.7182872740895717
Energy: 0.04780228025925819
Energy: 0.7182872740902672
Energy: 0.04780228023422105
Energy: 0.7182872740874853
Energy: 0.6665252514097814
Energy: 0.5937411829137196
Energy: 0.6665252515043028
Energy: 0.5972360462332087
Energy: 0.6665252515821962
Energy: 0.580593107668126
Energy: 0.6637172905801754
Energy: 0.3557665526353885
Energy: 0.663717290692147
Energy: 0.35576655262982465
Energy: 0.6637172906093853
Energy: 0.3557665526374749
Energy: 0.6585663450752909
Energy: 0.44191247070719436
Energy: 0.6585663450718136
Energy: 0.4419124707162355
Energy: 0.6585663450822457
Energy: 0.4419124706689431
Energy: 0.048733811967170484
Energy: 0.9201190808069456
Energy: 0.04873378227374387
Energy: 0.92011908080625
Energy: 0.04873384227299564
Energy: 0.9201190808041637
Energy: 0.9477056397947269
Energy: 1.2091547557072748
Energy: 0.9477056443494647
Energy: 1.2091547557072748
Energy: 0.9477056485753687
Energy: 1.2091547557072748

minimum gb energy = 0.027071785017413707 eV
minimum distance =  2.32318722103555 Angstroms
sigma value = 41


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

Energy: 0.5105910189099315
Energy: 0.33529128524446344
Energy: 0.510591018936193
Energy: 0.33529128524446344
Energy: 0.5105910189833341
Energy: 0.33529128524446344
Energy: 0.4928096690001966
Energy: 0.914723832668166
Energy: 0.49280967069927367
Energy: 0.9147238326714549
Energy: 0.49280966928892406
Energy: 0.9147238326687142
Energy: 0.9805711159273146
Energy: 1.1269966893561147
Energy: 0.9805711159267665
Energy: 1.126996689356663
Energy: 0.9805711159273146
Energy: 1.1269966893594037
Energy: 0.3745371248325904
Energy: 0.017574401843085452
Energy: 0.37673096291710667
Energy: 0.017574470935664485
Energy: 0.37084548361512487
Energy: 0.017574459507906013
Energy: 0.27575628707342764
Energy: 0.19887397120967343
Energy: 0.27575628707342764
Energy: 0.19887397169184937
Energy: 0.27575628707233135
Energy: 0.1988739712030956
Energy: 0.6504709555581405
Energy: 1.0901160372425402
Energy: 0.6504709555817112
Energy: 1.0901160373247634
Energy: 0.6504709556107133
Energy: 1.090116037245281
Energy: 0.2509689947056272
Energy: 0.6550890367508639
Energy: 0.2509689947434498
Energy: 0.6550890367486712
Energy: 0.250968994712205
Energy: 0.6550890367492195
Energy: 0.10803570030502357
Energy: 0.17747212756951156
Energy: 0.08765088512584482
Energy: 0.17747212756457814
Energy: 0.10783667271180197
Energy: 0.17747212756622263
Energy: 0.3048250667289436
Energy: 0.2103867374937133
Energy: 0.3048250667382622
Energy: 0.2103867374975504
Energy: 0.3048250667349733
Energy: 0.21038673749480963
Energy: 0.27524119563450805
Energy: 0.7115363180783102
Energy: 0.27524119563395993
Energy: 0.7115363185878439
Energy: 0.27524119563395993
Energy: 0.7115363190091749
Energy: 0.053057270168459875
Energy: 1.0906368410012477
Energy: 0.08265774871457242
Energy: 1.0906368684734644
Energy: 0.08376197192403087
Energy: 1.0906369501346094
Energy: 0.30914564596342076
Energy: 0.7341624930397216
Energy: 0.30914564596396893
Energy: 0.7341624930397216
Energy: 0.30914564596396893
Energy: 0.7341624930397216
Energy: 0.1288998252653346
Energy: 0.049938646470234896
Energy: 0.12869994717390226
Energy: 0.050651320815340954
Energy: 0.1313459351969979
Energy: 0.05049949971751534
Energy: 0.2743878340988108
Energy: 0.945784934762057
Energy: 0.27438783409990714
Energy: 0.9457849347587682
Energy: 0.27438783409935896
Energy: 0.9457849347615087
Energy: 0.5963325626996339
Energy: 1.0631242457084453
Energy: 0.5963325626870762
Energy: 1.0631242457089936
Energy: 0.5963325627007302
Energy: 1.0631242457089936
Energy: 0.29149478521188366
Energy: 0.5770916254699477
Energy: 0.29149478521188366
Energy: 0.5770916254699477
Energy: 0.29149478521243183
Energy: 0.5770916254699477
Energy: 0.16561900900804571
Energy: 0.29469909941041555
Energy: 0.16174214294029143
Energy: 0.29469909940986744
Energy: 0.16563164524670468
Energy: 0.29469909941041555
Energy: 0.9215428004251749
Energy: 1.3403413750224398
Energy: 0.9215428004317527
Energy: 1.3403413750235362
Energy: 0.9215428004196933
Energy: 1.3403413750235362
Energy: 0.4574962514358125
Energy: 0.9607198961953087
Energy: 0.45749850782473406
Energy: 0.9607198961947606
Energy: 0.45749616760936085
Energy: 0.9607198961953087
Energy: 0.07535604404874872
Energy: 0.5339027634322457
Energy: 0.05181188843477899
Energy: 0.5339027634327939
Energy: 0.05550757971163827
Energy: 0.5339027634333421
Energy: 0.1301407468523475
Energy: 0.8800582805029185
Energy: 0.10546720549204462
Energy: 0.8800582805029185
Energy: 0.13207245496129252
Energy: 0.8800582805029185
Energy: 0.848063521598663
Energy: 1.0346776106984041
Energy: 0.8480635218424918
Energy: 1.0346776108392297
Energy: 0.8480635213279748
Energy: 1.0346776107258118
Energy: 0.3839549109183936
Energy: 0.1210449447594158
Energy: 0.3839550016458012
Energy: 0.12104494476160842
Energy: 0.3839548827662172
Energy: 0.12104494476708993
Energy: 0.1061227361712636
Energy: 0.7434553078831657
Energy: 0.11608630029499754
Energy: 0.5173138205489662
Energy: 0.0992787560418887
Energy: 0.5173138142847157
Energy: 0.2674970278816326
Energy: 0.9976378799742599
Energy: 0.2674970278673806
Energy: 0.9976378799737119
Energy: 0.26749702785258045
Energy: 0.9976378799737119
Energy: 0.16433028153373763
Energy: 0.17638218663679686
Energy: 0.1643302815995161
Energy: 0.17638218664447103
Energy: 0.1643302815973235
Energy: 0.17638218662967087
Energy: 0.2612748098919569
Energy: 0.15067847982959306
Energy: 0.26127480988866797
Energy: 0.15067847919348562
Energy: 0.26127480989086055
Energy: 0.15067847922796948
Energy: 0.29911379351966355
Energy: 0.7175914661052256
Energy: 0.2991137935207599
Energy: 0.5952219705816914
Energy: 0.2991137935207599
Energy: 0.5952219705822396
Energy: 0.37992252885111055
Energy: 0.9635454562559709
Energy: 0.37992252885111055
Energy: 0.9635454562335463
Energy: 0.37992252885111055
Energy: 0.9635454562417188
Energy: 0.637745361400681
Energy: 0.234776929945632
Energy: 0.6393488045475691
Energy: 0.2347769299428912
Energy: 0.6352297299129896
Energy: 0.23477692993905416
Energy: 0.27059260828669357
Energy: 0.6541979591889626
Energy: 0.27059260826860454
Energy: 0.654197959193348
Energy: 0.2705926082691527
Energy: 0.6541979591911553
Energy: 0.292165668909074
Energy: 0.1868046504408531
Energy: 0.2921656689068814
Energy: 0.18680465043208264
Energy: 0.2921656689068814
Energy: 0.18680465038608754
Energy: 0.2516925704540486
Energy: 0.4905562306445001
Energy: 0.25169257049127325
Energy: 0.4905562304625628
Energy: 0.25169257046391535
Energy: 0.4905562302960238

minimum gb energy = 0.017574401843085452 eV
minimum distance =  2.32797683127831 Angstroms
sigma value = 33


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

Energy: 0.0824446718353942
Energy: 0.27548066457573983
Energy: 0.09856810103552782
Energy: 0.27548066471143395
Energy: 0.07097998899358443
Energy: 0.27548066464225796
Energy: 0.6484545957892454
Energy: 0.383414945250822
Energy: 0.6677360516015162
Energy: 0.383414945250822
Energy: 0.6407472381137109
Energy: 0.3834149452504022
Energy: 0.8224977936304508
Energy: 0.9500115272427962
Energy: 0.8224977937092793
Energy: 0.9500115273147001
Energy: 0.822497793671229
Energy: 0.9500115272485318
Energy: 0.5851213252535522
Energy: 0.32069865927323943
Energy: 0.585121325299716
Energy: 0.3206986592682733
Energy: 0.5851213252747456
Energy: 0.3206986592690427
Energy: 0.2309237683260295
Energy: 1.1102871169682313
Energy: 0.2309219057585425
Energy: 1.1102871169674617
Energy: 0.23092360750103988
Energy: 1.1102871169674617
Energy: 0.9866765430376265
Energy: 0.19424518143907837
Energy: 0.9866765430380462
Energy: 0.19424518134059524
Energy: 0.9866765430380462
Energy: 0.1942451823038834
Energy: 0.3527437540242411
Energy: 0.2653353350716429
Energy: 0.35274375402536023
Energy: 0.2653353355073329
Energy: 0.35274375406956576
Energy: 0.265335334965186
Energy: 0.13431342112226788
Energy: 0.26246847351291985
Energy: 0.13207381386600575
Energy: 0.2624684734841024
Energy: 0.13479279686281673
Energy: 0.2624684735606227
Energy: 1.1122480856245274
Energy: 0.27973766966420655
Energy: 1.112248085624947
Energy: 0.27973766965993985
Energy: 1.112248085624947
Energy: 0.2797376697230306
Energy: 0.6095354885174589
Energy: 0.4032034040757329
Energy: 0.5950200314285078
Energy: 0.4032034040726552
Energy: 0.5917089211244981
Energy: 0.4032034040757329
Energy: 0.13329435461546232
Energy: 0.1252050658742917
Energy: 0.16155179556148466
Energy: 0.12525544723109988
Energy: 0.1368275445333837
Energy: 0.12373340004411212
Energy: 1.4271378104135397
Energy: 0.2552635989560735
Energy: 1.42713781041277
Energy: 0.2552635989206811
Energy: 1.4271378104123507
Energy: 0.25526359870531923
Energy: 0.2946616637778174
Energy: 1.096083094063783
Energy: 0.294661663777048
Energy: 1.0960830940541304
Energy: 0.29466166364555063
Energy: 1.0960830940530113
Energy: 0.4758827804320949
Energy: 0.12846912552584178
Energy: 0.47588278043244464
Energy: 0.13718705890388785
Energy: 0.47588278043286436
Energy: 0.1365665783362258
Energy: 0.23634715465138215
Energy: 0.3300422546845575
Energy: 0.23450711771993213
Energy: 0.3300422546891739
Energy: 0.23738416516825217
Energy: 0.33004225468189957
Energy: 0.20336272793915428
Energy: 0.9053128706743194
Energy: 0.20336272845786937
Energy: 0.9053128705305117
Energy: 0.20336272819256646
Energy: 0.9053128706889382
Energy: 1.0921736336693
Energy: 0.21407317719951
Energy: 1.0921736336635646
Energy: 0.2140731772553264
Energy: 1.0921736336766443
Energy: 0.21407317792169633
Energy: 0.32040580764694826
Energy: 0.5971813081098124
Energy: 0.32040580764694826
Energy: 0.597546992042409
Energy: 0.32040580764848703
Energy: 0.5975373288251976
Energy: 0.14583128696550374
Energy: 0.8548571464993773
Energy: 0.13971891171205886
Energy: 0.8548571464993773
Energy: 0.10372754370873076
Energy: 0.854857146499727
Energy: 1.0936770970134586
Energy: 0.22108111430513927
Energy: 1.0936770970126892
Energy: 0.2210811166192132
Energy: 1.0936770970126892
Energy: 0.22108112826505388
Energy: 0.1779213602102695
Energy: -0.002230933590817405
Energy: 0.17792398670186055
Energy: -0.01957841686032861
Energy: 0.1779209605093273
Energy: 0.04784735422418946
Energy: 0.43570377257444914
Energy: 0.7949903391970063
Energy: 0.43570377258025467
Energy: 0.7949903391950479
Energy: 0.4357037725782962
Energy: 0.7949903391981257
Energy: 0.2535489931331197
Energy: 0.6569136524503901
Energy: 0.23922700930987637
Energy: 0.6569136525765017
Energy: 0.2538059596739114
Energy: 0.6569136524823552
Energy: 0.24012854058795507
Energy: 0.8386222198012507
Energy: 0.2401285405898436
Energy: 0.8386222198004812
Energy: 0.24012854058795507
Energy: 0.8386222198012507
Energy: 1.1226671135274984
Energy: 0.21568109276150796
Energy: 1.1226671135263093
Energy: 0.21568109072231947
Energy: 1.1226671135267292
Energy: 0.215681092224677
Energy: 0.17806539100926594
Energy: 0.8424797316502718
Energy: 0.1780653883748421
Energy: 0.8424797316160685
Energy: 0.17806539319953651
Energy: 0.8424797316206849
Energy: 0.46629502526344196
Energy: 0.25358568246548197
Energy: 0.45991599793703036
Energy: 0.2535856824235847
Energy: 0.45430571289051247
Energy: 0.2535856824670208
Energy: 0.2884289878502251
Energy: 0.1981880254343945
Energy: 0.2884289878505748
Energy: 0.19818802449383857
Energy: 0.2884289878533027
Energy: 0.19818802546978687
Energy: 0.22205957221301392
Energy: 1.1288635551628696
Energy: 0.22205950172923497
Energy: 1.1288635551901485
Energy: 0.2220592122777155
Energy: 1.1288635552001505
Energy: 0.3699121610637446
Energy: 0.7045617577921239
Energy: 0.3699121610641643
Energy: 0.7079812800582295
Energy: 0.3699121610660528
Energy: 0.7205525765270714
Energy: 0.5858520718342441
Energy: 0.17783826172689965
Energy: 0.5858520716669348
Energy: 0.17783826172424175
Energy: 0.5858520715677521
Energy: 0.1778382617177368
Energy: 0.1718255235317503
Energy: 1.4256892736299576
Energy: 0.17182311697650376
Energy: 1.4256892736299576
Energy: 0.17181204242922457
Energy: 1.4256892736296078
Energy: 1.1134148046285635
Energy: 0.19290135951974574
Energy: 1.1134148046296828
Energy: 0.1929014369330863
Energy: 1.1134148046201
Energy: 0.19290139151291577
Energy: 0.14393431486787975
Energy: 0.39095507147624814
Energy: 0.13228729414972556
Energy: 0.39095507147470937
Energy: 0.11572630724180749
Energy: 0.39095507147582853
Energy: 0.3231653812429386
Energy: 0.24683036330481795
Energy: 0.3231653812460162
Energy: 0.24764654237415995
Energy: 0.32316538124447736
Energy: 0.24688383375998274
Energy: 1.1086493634983645
Energy: 0.24029461162295168
Energy: 1.1086493634994836
Energy: 0.2402946090930962
Energy: 1.1086493634983645
Energy: 0.24029461095574242
Energy: 0.23314372865066002
Energy: 1.4259817946817948
Energy: 0.2332091574313945
Energy: 1.425981794681375
Energy: 0.23314437675307037
Energy: 1.4259817946810254
Energy: 0.5452721343241717
Energy: 0.3001160787768621
Energy: 0.5451349471345983
Energy: 0.30011607877532326
Energy: 0.5448520769746822
Energy: 0.3001160787764425
Energy: 0.3894866309758396
Energy: 0.8969244961394085
Energy: 0.389486630976609
Energy: 0.8969244961394085
Energy: 0.3894866309770287
Energy: 0.896924496138639
Energy: 0.22580805641876475
Energy: 1.092240033883632
Energy: 0.22580805782886418
Energy: 1.0922400338748188
Energy: 0.2258080925687205
Energy: 1.0922400338767073
Energy: 0.34289699033733495
Energy: 0.20289529885986884
Energy: 0.34289699029893483
Energy: 0.20289529883063165
Energy: 0.3428969903311797
Energy: 0.20289529887022076
Energy: 0.6221308124852457
Energy: 0.38329081806044635
Energy: 0.6221308124102642
Energy: 0.3832908180373643
Energy: 0.6221308123975342
Energy: 0.3832908180393228
Energy: 0.19754692084473838
Energy: 0.8429130949682153
Energy: 0.19754768784084478
Energy: 0.8429130949612907
Energy: 0.1975486844825578
Energy: 0.8429130949712931
Energy: 1.1020437636713407
Energy: 0.19026649203577548
Energy: 1.1020437636879177
Energy: 0.17900318875410434
Energy: 1.102043763679804
Energy: 0.18390630427624588
Energy: 0.16681549572968385
Energy: 0.5497772072189767
Energy: 0.16680980203943396
Energy: 0.5497774264008902
Energy: 0.1668082891722036
Energy: 0.549776810620813
Energy: 0.9525640116543441
Energy: 0.697826654607255
Energy: 0.952564011653155
Energy: 0.6978266546145993
Energy: 0.9525640116535747
Energy: 0.697826654616138
Energy: 0.4293421094685051
Energy: 0.7618144836241276
Energy: 0.4293421094685051
Energy: 0.7618144834037994
Energy: 0.42934210946773566
Energy: 0.7618144836045427

minimum gb energy = -0.01957841686032861 eV
minimum distance =  2.36450151113089 Angstroms
sigma value = 67


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

Energy: 0.2321780592608393
Energy: 0.5473273053388638
Energy: 0.23217805747344988
Energy: 0.5473273053388638
Energy: 0.23217805659353086
Energy: 0.5473273053388638
Energy: 0.1443793336194179
Energy: 0.4138068744903179
Energy: 0.1443793306436981
Energy: 0.4138068744903179
Energy: 0.14437933344902618
Energy: 0.4138068744903179
Energy: 0.307238434431461
Energy: 1.4228012419176135
Energy: 0.3072000087980356
Energy: 1.4227997982818381
Energy: 0.30721458465145496
Energy: 1.4228004485199468
Energy: 0.1799961133962338
Energy: 0.4156897530541965
Energy: 0.17999611589215714
Energy: 0.4156897530516254
Energy: 0.17999612044528604
Energy: 0.4156897530541965
Energy: 0.232178056494048
Energy: 0.5473273053388638
Energy: 0.23217805638536193
Energy: 0.5473273053388638
Energy: 0.23217805928809843
Energy: 0.5473273053388638
Energy: 0.14437933455026164
Energy: 0.4138068744903179
Energy: 0.14437932691935904
Energy: 0.41380687449288894
Energy: 0.14437933575939432
Energy: 0.4138068744903179
Energy: 0.308933822845104
Energy: 1.4228006665029496
Energy: 0.30781992702052463
Energy: 1.4227997799821692
Energy: 0.29834515927713456
Energy: 1.422800892349712

minimum gb energy = 0.14437932691935904 eV
minimum distance =  2.40536148074936 Angstroms
sigma value = 3


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

Energy: 0.013035390210031824
Energy: 0.08716054395788327
Energy: -9.026793252083814e-05
Energy: 0.10142990179207037
Energy: 0.011804699517530659
Energy: 0.09361677388724622
Energy: 0.41266826735061535
Energy: 0.37941043413499637
Energy: 0.4126682673436177
Energy: 0.37940980161933374
Energy: 0.41266826743452245
Energy: 0.3794109885575424
Energy: 0.8166195534049423
Energy: 0.5713061648345025
Energy: 0.8173503016387581
Energy: 0.5713061648869204
Energy: 0.8166195534224361
Energy: 0.5713061649324046
Energy: 0.3353526835460962
Energy: 0.4987467499727446
Energy: 0.36074407756258375
Energy: 0.4987467500042336
Energy: 0.3573607540977525
Energy: 0.5602292825437039
Energy: 0.7850831918621552
Energy: 0.6277496009938531
Energy: 0.7850831918621552
Energy: 0.6277496010078482
Energy: 0.7850831918621552
Energy: 0.6277496010393372
Energy: 0.38397606616972757
Energy: 0.32765125550665897
Energy: 0.38397606901996206
Energy: 0.32765120362526673
Energy: 0.38397601100794165
Energy: 0.3276537656804554
Energy: 0.510197728268711
Energy: 0.626677864828505
Energy: 0.5268265810051864
Energy: 0.6250187434555313
Energy: 0.5102295966462691
Energy: 0.6247347558914478
Energy: 0.4499069973529913
Energy: 0.4528263508937993
Energy: 0.43201245995840426
Energy: 0.5035896014565615
Energy: 0.44501896601143537
Energy: 0.48995866649732545
Energy: 0.681182886928905
Energy: 0.4308355762534859
Energy: 0.6811828869324038
Energy: 0.4308353045818333
Energy: 0.6811828869324038
Energy: 0.4308347807565114
Energy: 0.5515218214909952
Energy: 0.3168660038495575
Energy: 0.5515218214874963
Energy: 0.287337046170275
Energy: 0.5515218214944939
Energy: 0.2904927233012182
Energy: 0.35497116901624753
Energy: 0.5448432989564584
Energy: 0.3549711516245691
Energy: 0.5445136584425971
Energy: 0.35497102940342323
Energy: 0.5289140872863671
Energy: 0.3100355894730239
Energy: 0.6214381741448503
Energy: 0.31737759045806463
Energy: 0.5862021519824985
Energy: 0.29511322259917827
Energy: 0.5862034017553205
Energy: 0.3928783704105121
Energy: 0.28334114916800635
Energy: 0.3928785583689875
Energy: 0.29687419752898025
Energy: 0.3928792837570006
Energy: 0.30157850603717695
Energy: 0.529936580325793
Energy: 0.6001735073548461
Energy: 0.5299365803292919
Energy: 0.6001735082151647
Energy: 0.529936580325793
Energy: 0.6001735071415477
Energy: 0.4864204481491683
Energy: 0.36656089765748456
Energy: 0.4864203337653562
Energy: 0.35905645042828754
Energy: 0.48642018998033065
Energy: 0.3657427808782184
Energy: 0.4745416902919211
Energy: 0.09110217675411941
Energy: 0.47454169016252984
Energy: 0.40533012730788676
Energy: 0.4745416902639309
Energy: 0.4053301272764613
Energy: 0.7714894677499227
Energy: 0.31426094593967263
Energy: 0.7714894677534214
Energy: 0.31426149639981704
Energy: 0.7714894677534214
Energy: 0.3142607267998675
Energy: 0.2973134728963996
Energy: 0.6507303656192701
Energy: 0.2807653988333091
Energy: 0.6600093689477567
Energy: 0.367430633220606
Energy: 0.6612928583814259
Energy: 0.3264804342903508
Energy: 0.6138904281493702
Energy: 0.2860902048327549
Energy: 0.613890810976923
Energy: 0.3205804506540673
Energy: 0.6138905182309656
Energy: 0.18200770110525252
Energy: 0.2878301368767407
Energy: 0.1894143840096878
Energy: 0.2878209949865358
Energy: 0.17584431599783082
Energy: 0.28784867527631564
Energy: 0.7472177054370907
Energy: 0.17749844259841227
Energy: 0.7478273671339593
Energy: 0.18241500235640853
Energy: 0.7472177054370907
Energy: 0.17756326783774895
Energy: 0.37631744166367376
Energy: 0.2516929314994887
Energy: 0.5349808907656313
Energy: 0.25304898836716266
Energy: 0.48722812026408746
Energy: 0.16123664003742277
Energy: 0.5051926547056198
Energy: 0.7010637247381667
Energy: 0.5051927615879177
Energy: 0.7010637247381667
Energy: 0.5051927937379008
Energy: 0.701063724717174
Energy: 0.15071775078928126
Energy: 0.09683543610403776
Energy: 0.15692942786168992
Energy: 0.07213686533607636
Energy: 0.1507039195781159
Energy: 0.09579333718692669
Energy: 0.6643996639218422
Energy: 0.1642957950801149
Energy: 0.6643996639253411
Energy: 0.15587389152900943
Energy: 0.6643996639288399
Energy: 0.15701240031197936
Energy: 0.3190922868465778
Energy: 0.4156442930418884
Energy: 0.3233318281649201
Energy: 0.41564413752716667
Energy: 0.3004479914482162
Energy: 0.41564430201931585
Energy: 0.2703831893046556
Energy: 0.4459752594894042
Energy: 0.28515436510842807
Energy: 0.43298804302995414
Energy: 0.3051372323364978
Energy: 0.4541827473388092
Energy: 0.19280948215757313
Energy: 0.19218491800559537
Energy: 0.28738456790489564
Energy: 0.20185749315737386
Energy: 0.20590917535295425
Energy: 0.15753068310295815
Energy: 0.1670424978024817
Energy: 0.2012062633892921
Energy: 0.11056701338979126
Energy: 0.18795699030721805
Energy: 0.12190187275507434
Energy: 0.2034713847391469
Energy: 0.3106862125717674
Energy: 0.4319402164504144
Energy: 0.3690000067317431
Energy: 0.4293956165403633
Energy: 0.2239652054706755
Energy: 0.42414323999259357
Energy: 0.37421950670503196
Energy: 0.5477357653576059
Energy: 0.3027075699238401
Energy: 0.5477357657038581
Energy: 0.3789835090189843
Energy: 0.5477357654170851
Energy: 0.3237865545258079
Energy: 0.31539738655987476
Energy: 0.39708110509401867
Energy: 0.3153978333727582
Energy: 0.40452292716895893
Energy: 0.31539737460988265
Energy: 0.15113726123510496
Energy: 0.21420095334438571
Energy: 0.13513012369935992
Energy: 0.25547871220442475
Energy: 0.10207328860821646
Energy: 0.22529498950987437
Energy: 0.2740848565769498
Energy: 0.42870088930352934
Energy: 0.26325197416180296
Energy: 0.42869978793552377
Energy: 0.27583934185441383
Energy: 0.42868867754317347
Energy: 0.5332222964762179
Energy: 0.29099989090689804
Energy: 0.5332222964762179
Energy: 0.3298173789615953
Energy: 0.5332222964797168
Energy: 0.32478475047533817
Energy: 0.4003926338221704
Energy: 0.2647516003649323
Energy: 0.5921192510788891
Energy: 0.2405314451804335
Energy: 0.5001405221934278
Energy: 0.20510269896823594
Energy: 0.1461837968522868
Energy: 0.21353776199967636
Energy: 0.189499761495014
Energy: 0.2517806971370233
Energy: 0.18043026285436975
Energy: 0.19798270081516697
Energy: 0.6307838508732821
Energy: 0.5350782988736803
Energy: 0.6239521156427493
Energy: 0.5350782946804863
Energy: 0.6209072424641775
Energy: 0.5350782961807637
Energy: 0.46734120822996694
Energy: 0.39536922331366975
Energy: 0.46734120822996694
Energy: 0.39536922624431264
Energy: 0.46734120822296943
Energy: 0.3953692225792438
Energy: 0.5049404198112798
Energy: 0.21508992395521498
Energy: 0.5049403986635006
Energy: 0.24772823258181959
Energy: 0.5048996618789955
Energy: 0.2158628700419588
Energy: 0.22470108537153635
Energy: 0.3535922111917556
Energy: 0.21113943926157214
Energy: 0.3513882348083579
Energy: 0.2260422314477776
Energy: 0.3593865714942257
Energy: 0.4098652773780143
Energy: 0.5719367316168587
Energy: 0.41640256807064047
Energy: 0.5719367318651448
Energy: 0.372767482603657
Energy: 0.571936732130925
Energy: 0.5677822720205997
Energy: 0.7965371260061708
Energy: 0.5677822720380936
Energy: 0.7965371190851361
Energy: 0.5677822720205997
Energy: 0.7965371203371273
Energy: 0.6782232278507154
Energy: 0.2768781183216803
Energy: 0.6782232278472167
Energy: 0.197373533042272
Energy: 0.6782232278437178
Energy: 0.27354687955496143
Energy: 0.5116471028610776
Energy: 0.12622751292182166
Energy: 0.5116471033752076
Energy: 0.18288336108744058
Energy: 0.5116471033647114
Energy: 0.18549364111321068
Energy: 0.41201240336636075
Energy: 0.3936435819859753
Energy: 0.3051930957238183
Energy: 0.39364357131240224
Energy: 0.41200748316883795
Energy: 0.39364358150333434
Energy: 0.6472881787858235
Energy: 0.4766057231755229
Energy: 0.6471554260351672
Energy: 0.5261415638442276
Energy: 0.647288375623824
Energy: 0.4996753226165471
Energy: 0.30620336953286326
Energy: 0.4030527440663108
Energy: 0.3099520957446526
Energy: 0.4082365507773426
Energy: 0.30016206352103136
Energy: 0.39695511292904645
Energy: 0.14282129518388192
Energy: 0.6600125106594654
Energy: 0.12395584205096435
Energy: 0.660012510666463
Energy: 0.1453745811169176
Energy: 0.6600125106594654
Energy: 0.4089569614439977
Energy: 0.4878463164219509
Energy: 0.40895658553398095
Energy: 0.4878463164709339
Energy: 0.4089578369155425
Energy: 0.48784631643944487
Energy: 0.6030086736779132
Energy: 0.4212513883227398
Energy: 0.6089657333364299
Energy: 0.421251390571502
Energy: 0.6030085490156994
Energy: 0.42125138608803636

minimum gb energy = -9.026793252083814e-05 eV
minimum distance =  2.33476247994974 Angstroms
sigma value = 81


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

Energy: 0.8168745952776869
Energy: 0.16438002636481408
Energy: 0.8168745940527322
Energy: 0.16438002696672702
Energy: 0.8168745953861694
Energy: 0.16438002624480694
Energy: 0.1053770067542853
Energy: 0.13859428408945054
Energy: 0.08190706179795688
Energy: 0.13859315632936828
Energy: 0.08805833133383938
Energy: 0.13859422253743692
Energy: 0.5422034200272343
Energy: 0.4210785069312329
Energy: 0.5422034177602821
Energy: 0.42107813809682254
Energy: 0.5422034074049614
Energy: 0.4210781434338011
Energy: 0.31489138615590057
Energy: 0.37382133005420376
Energy: 0.3143667336863088
Energy: 0.3723898818195662
Energy: 0.31184576230014527
Energy: 0.3578422569671192
Energy: 0.07917237910910056
Energy: 0.09983703215080016
Energy: 0.07993999841516047
Energy: 0.09983703147593999
Energy: 0.07982173950279872
Energy: 0.09983703443220207
Energy: 0.252906872607055
Energy: 0.29839815310967266
Energy: 0.25185019988847956
Energy: 0.23359593028353023
Energy: 0.21087679378541266
Energy: 0.22297008290382014
Energy: 0.48670836768603004
Energy: 0.4927899655788047
Energy: 0.4867084880176258
Energy: 0.492789965579285
Energy: 0.4867020255916659
Energy: 0.492789965579285
Energy: 0.15503652277940863
Energy: 0.09159016364328885
Energy: 0.1550365353978836
Energy: 0.09159623904129116
Energy: 0.15503673801413645
Energy: 0.09159821749877205
Energy: 0.9474948985283093
Energy: 0.8304298123342938
Energy: 0.9474948985283093
Energy: 0.8304298124312511
Energy: 0.9474948985307103
Energy: 0.83042981222197
Energy: 0.7001832786487451
Energy: 0.6338313444224869
Energy: 0.7001832778721255
Energy: 0.6338559965185889
Energy: 0.7001832767542123
Energy: 0.6338255021729321
Energy: 0.5846609227323886
Energy: 0.3502796469993897
Energy: 0.5846609227227845
Energy: 0.3501037717763954
Energy: 0.5846609227741225
Energy: 0.34362055485462556
Energy: 0.18792725015223719
Energy: 0.4777338420068678
Energy: 0.20821842078358532
Energy: 0.47773384202607594
Energy: 0.1936848830462664
Energy: 0.4777338420174323
Energy: 0.07410664028177164
Energy: 0.10422615687805614
Energy: 0.07410665454468071
Energy: 0.10418611514232202
Energy: 0.07410655134010073
Energy: 0.10115217385949395
Energy: 0.4405482339367532
Energy: 0.4286678443259076
Energy: 0.440548330024503
Energy: 0.4298844532840797
Energy: 0.44056072122351625
Energy: 0.4285967963817048
Energy: 0.38140613138088086
Energy: 0.5144382795807134
Energy: 0.3792921006695779
Energy: 0.5144382795807134
Energy: 0.38212544153371814
Energy: 0.5144382795811936
Energy: 0.13345177413763626
Energy: 0.0853978446493886
Energy: 0.13345209854128642
Energy: 0.0853977062860306
Energy: 0.13345202726803856
Energy: 0.08539779708813977
Energy: 0.7000056874395855
Energy: 0.20273909989835961
Energy: 0.7000056874395855
Energy: 0.20273611191338017
Energy: 0.7000056874400656
Energy: 0.20274163681945107
Energy: 0.4236629289142428
Energy: 0.286872141388407
Energy: 0.423662753209583
Energy: 0.24296914186630406
Energy: 0.42366292280828405
Energy: 0.2865524810125363
Energy: 0.4144286329969692
Energy: 0.422497218389737
Energy: 0.41517830305462367
Energy: 0.4224972208621288
Energy: 0.4144547240297366
Energy: 0.42249722039703014
Energy: 0.6974550648145912
Energy: 0.05323838389470659
Energy: 0.6974550648136307
Energy: 0.0497326180670231
Energy: 0.6974550648141109
Energy: 0.05151128031770926
Energy: 0.10704223209264467
Energy: 0.09749583104394739
Energy: 0.10704230715011223
Energy: 0.09436232002582046
Energy: 0.10704221806682504
Energy: 0.10281882653603912
Energy: 0.24463407685039087
Energy: 0.5786574468179153
Energy: 0.24141853433178545
Energy: 0.5786574468270392
Energy: 0.24860065396630263
Energy: 0.578657446831361
Energy: 0.26221100939419817
Energy: 0.5559007602425082
Energy: 0.26221105390179106
Energy: 0.5559007602415479
Energy: 0.26221104946811824
Energy: 0.5559007602449093
Energy: 0.09609379159313627
Energy: 0.1184903527840269
Energy: 0.09609379473231211
Energy: 0.11849099186677525
Energy: 0.09609379415436568
Energy: 0.11849018003130739
Energy: 0.40351351028803145
Energy: 0.6872254385177773
Energy: 0.41233943029335196
Energy: 0.6872327706794478
Energy: 0.40972250511343933
Energy: 0.14560045468518046
Energy: 0.353630685081876
Energy: 1.1853673180754842
Energy: 0.3516868810281797
Energy: 1.1853673180778854
Energy: 0.3539949015031208
Energy: 1.185367318074524
Energy: 0.3932800440745426
Energy: 0.5303508163499904
Energy: 0.39328004276703654
Energy: 0.4936217476918155
Energy: 0.3932800428097746
Energy: 0.5303514071716591
Energy: 0.6390213109588606
Energy: 0.16224633673387479
Energy: 0.639021310959821
Energy: 0.1622505430305105
Energy: 0.639021310959821
Energy: 0.16223316046841016
Energy: 0.12398413743593228
Energy: 0.10075481111205638
Energy: 0.12402732286062268
Energy: 0.10075424624349505
Energy: 0.12401713145929669
Energy: 0.1007541905338959
Energy: 0.42544533650055716
Energy: 0.5078347149211548
Energy: 0.4264174843543094
Energy: 0.5078347148981049
Energy: 0.42606094805584616
Energy: 0.5078347149192338
Energy: 0.3636877190028773
Energy: 0.3416745195789172
Energy: 0.3731156003707415
Energy: 0.3541070745273097
Energy: 0.3593427121074333
Energy: 0.3458019366178853
Energy: 0.08358141816334438
Energy: 0.0747341327294259
Energy: 0.0835816884106782
Energy: 0.07473417712469482
Energy: 0.08358068852714481
Energy: 0.07473400346522066
Energy: 0.18138399385815993
Energy: 0.1497840019035674
Energy: 0.18316603637529374
Energy: 0.1504001468295344
Energy: 0.18610286024707873
Energy: 0.14978551748459742
Energy: 0.22668388031173883
Energy: 0.633132374795733
Energy: 0.2271830564660616
Energy: 0.6331323747822875
Energy: 0.23105212723643487
Energy: 0.633132374781327
Energy: 0.6071903462785543
Energy: 0.4469333939637344
Energy: 0.607190346282876
Energy: 0.442083849224653
Energy: 0.6071903462809553
Energy: 0.4368580952162452
Energy: 0.9510988180228208
Energy: 0.7684526779641226
Energy: 0.9510988180472676
Energy: 0.7684526778446393
Energy: 0.9510988180098554
Energy: 0.7684526778868536
Energy: 0.1209018394612023
Energy: 0.10695257355388746
Energy: 0.12090183777451026
Energy: 0.10695255891563407
Energy: 0.120901850457769
Energy: 0.10695257054148527
Energy: 0.33961455411878905
Energy: 0.23955006048214592
Energy: 0.3311848719384321
Energy: 0.24244329398996423
Energy: 0.34926500531077553
Energy: 0.23866068415972544

minimum gb energy = 0.0497326180670231 eV
minimum distance =  2.37115996707307 Angstroms
sigma value = 43


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

Energy: 0.23077132029634245
Energy: 0.1765131136752297
Energy: 0.2003094273300943
Energy: 0.19389642136126464
Energy: 0.23129863795839534
Energy: 0.1861367767747845
Energy: 0.4503956987683423
Energy: 0.15118026658493522
Energy: 0.45039569876598295
Energy: 0.1502878497980321
Energy: 0.4503956987636235
Energy: 0.1511168751057649
Energy: 0.7138046204954606
Energy: 0.46150505758246024
Energy: 0.7138046140141786
Energy: 0.45830413979400964
Energy: 0.7138046258718582
Energy: 0.45962493465561577
Energy: 0.292292382171261
Energy: 0.3684036324601344
Energy: 0.29229267193828656
Energy: 0.36114607628519274
Energy: 0.29229310038674006
Energy: 0.3585967895614822
Energy: 0.6427652757344816
Energy: 0.7480394274965239
Energy: 0.6427652368792849
Energy: 0.7480394274935747
Energy: 0.6427652551126912
Energy: 0.7480394274935747
Energy: 0.45077089621361527
Energy: 0.2572434379916405
Energy: 0.4490487007779651
Energy: 0.30182677299798066
Energy: 0.4483276063634936
Energy: 0.33756170759408843
Energy: 0.4089037074392375
Energy: 0.6388001614824707
Energy: 0.4089037175193162
Energy: 0.6387873619355056
Energy: 0.40890373486833254
Energy: 0.6387781781800874
Energy: 0.20070631587341067
Energy: 0.5861765183111938
Energy: 0.1883862860114249
Energy: 0.5861765183047056
Energy: 0.19556094713189048
Energy: 0.5861765183005767
Energy: 0.751075218344159
Energy: -0.11974475340825755
Energy: 0.7510752176407707
Energy: 0.09105972139967866
Energy: 0.7510752184302226
Energy: -0.12822274135184775
Energy: 0.5419069324161528
Energy: 0.5199820680227621
Energy: 0.5419069406814973
Energy: 0.5199820681235717
Energy: 0.5419068999579171
Energy: 0.5199820680239418
Energy: 0.5214284206458459
Energy: 0.44050049699203886
Energy: 0.5214284206859552
Energy: 0.44050052245548005
Energy: 0.5214284206670803
Energy: 0.4404998930575251
Energy: 0.19752056667388487
Energy: 0.7380663705449676
Energy: 0.1939579448510463
Energy: 0.7380663705078074
Energy: 0.19945812670948257
Energy: 0.7380663705449676
Energy: 0.6426232610205695
Energy: 0.3454940821446007
Energy: 0.6426232612009812
Energy: 0.2659353623412522
Energy: 0.6426232611284572
Energy: 0.3545366901264474
Energy: 0.4598901062012961
Energy: 0.45947229938967826
Energy: 0.45989010619952664
Energy: 0.4594723427162649
Energy: 0.45989010620011644
Energy: 0.45947227902377263
Energy: 0.2652818931469103
Energy: 0.7245927969137672
Energy: 0.27158081152275504
Energy: 0.724592796914357
Energy: 0.26501748133306563
Energy: 0.7245927969114078
Energy: 0.30653532474501005
Energy: 0.8612957127814901
Energy: 0.3066992448410078
Energy: 0.8612957127809004
Energy: 0.2911635936666259
Energy: 0.8612957127814901
Energy: 0.5669255432344398
Energy: 0.25860437378354184
Energy: 0.5669255432279515
Energy: 0.25639951333620165
Energy: 0.5669255432250023
Energy: 0.25676725905158765
Energy: 0.9443753435309808
Energy: 0.2519107251650865
Energy: 0.9443753435309808
Energy: 0.250617199043361
Energy: 0.9443753435292112
Energy: 0.24371219026697724
Energy: 0.9302159322358156
Energy: 0.23195006550175498
Energy: 0.9302159322352257
Energy: 0.22202899297593848
Energy: 0.9302159322369951
Energy: 0.21110533431028322
Energy: 0.4528305965668984
Energy: 0.2555560667408279
Energy: 0.4528305936354829
Energy: 0.25555638971607525
Energy: 0.4528305962609036
Energy: 0.2555864143696606
Energy: 0.30839459608513126
Energy: 0.05890591077891505
Energy: 0.31222516686908475
Energy: 0.04027580433661193
Energy: 0.3037019735935499
Energy: -0.044713694500178675
Energy: 0.6188073061315992
Energy: 0.8677893669468212
Energy: 0.618807305819706
Energy: 0.867789366947411
Energy: 0.6188073063544529
Energy: 0.867789366947411
Energy: 0.40531597059483637
Energy: 0.30641282935892794
Energy: 0.40531596956306587
Energy: 0.30641283008998543
Energy: 0.4053159718217647
Energy: 0.3064128288577753
Energy: 0.22358312736231245
Energy: 0.24717016155565222
Energy: 0.22159074977794888
Energy: 0.31617011000565187
Energy: 0.21788748598556232
Energy: 0.2180950912566868
Energy: 0.35136303147771697
Energy: 0.36045005911124584
Energy: 0.3365927516076569
Energy: 0.3604508629546428
Energy: 0.3452740908910655
Energy: 0.36044891014791536
Energy: 0.8441914743805894
Energy: 0.6341355977276151
Energy: 0.8441914743805894
Energy: 0.6341355977282049
Energy: 0.8441914743805894
Energy: 0.6341355977223065
Energy: 0.4232527285186784
Energy: 0.25584323610054566
Energy: 0.45920878594190956
Energy: 0.2669130393739578
Energy: 0.4129970964263233
Energy: 0.2452417562048696
Energy: 0.25045884542839414
Energy: -0.13204841040283002
Energy: 0.22856428378754254
Energy: -0.1090905016125432
Energy: 0.24879077119713688
Energy: -0.13228268167490762
Energy: 0.155147090577596
Energy: 0.5764721973044085
Energy: 0.18759066184173978
Energy: 0.5764721973102801
Energy: 0.1824303923523589
Energy: 0.5764721973332839
Energy: 0.4374497805500244
Energy: 0.4298966375098226
Energy: 0.43743631955072393
Energy: 0.42989670860629986
Energy: 0.4374541798479385
Energy: 0.4298968501059201
Energy: 0.5164130284381547
Energy: 0.2932075319244229
Energy: 0.5164130284381547
Energy: 0.35110614578783755
Energy: 0.5164130284381547
Energy: 0.2748873999922454

minimum gb energy = -0.13228268167490762 eV
minimum distance =  2.35863975572962 Angstroms
sigma value = 57


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

Energy: 0.2785049612852737
Energy: 0.20409510218395327
Energy: 0.2785049614654078
Energy: 0.20409510098088413
Energy: 0.27850496178297696
Energy: 0.20409510699098807
Energy: 0.13373122391653844
Energy: 0.3029894769229868
Energy: 0.13328204618552636
Energy: 0.3028301268862794
Energy: 0.13327606421173713
Energy: 0.30293324280244976
Energy: 0.876587989028539
Energy: 0.41503560439917014
Energy: 0.876587989028539
Energy: 0.41503560439917014
Energy: 0.8765879890300664
Energy: 0.41503560439917014
Energy: 0.32971727883657687
Energy: 0.8291519208380057
Energy: 0.3296982816143777
Energy: 0.8291519208357143
Energy: 0.3294969064969977
Energy: 0.8291519208380057
Energy: 0.13224420995314357
Energy: 0.16314731937425797
Energy: 0.1271195925624699
Energy: 0.0860969707967982
Energy: 0.23312971561088722
Energy: 0.06614304155639929
Energy: 0.5074230600985327
Energy: 0.27682943299244894
Energy: 0.5074230632108354
Energy: 0.2768294679744554
Energy: 0.5074230624413517
Energy: 0.276829487949861
Energy: 0.4402621838984687
Energy: 0.7407614984490309
Energy: 0.44026218388472177
Energy: 0.7407614981306981
Energy: 0.4402621838618101
Energy: 0.7407614984200095
Energy: 0.09692094440049151
Energy: 0.27015139681367345
Energy: 0.0969222512427483
Energy: 0.27015139677475836
Energy: 0.09692115003960997
Energy: 0.2701513967442095
Energy: 0.12254679783586506
Energy: 0.16596026191710841
Energy: 0.11310598388517214
Energy: 0.1659598782488855
Energy: 0.12240852676364185
Energy: 0.16596039030575824
Energy: 0.5170761164523056
Energy: 0.20263045549112618
Energy: 0.5170761164538329
Energy: 0.20579404220651995
Energy: 0.5170761164515418
Energy: 0.2057683338126213
Energy: 0.4389471126516903
Energy: 0.536944501016421
Energy: 0.43894711190740926
Energy: 0.5369445010141298
Energy: 0.43894710880194526
Energy: 0.5369445010118388
Energy: 0.1862116521752698
Energy: 0.2781035364251251
Energy: 0.1862278207354014
Energy: 0.27810137074745056
Energy: 0.18621928732023735
Energy: 0.27809987674986403
Energy: 0.83648876567761
Energy: 0.19196081360438555
Energy: 0.8364887656791377
Energy: 0.19196081348225963
Energy: 0.83648876567761
Energy: 0.19196081315858068
Energy: 0.417391408491
Energy: 0.5507264372451763
Energy: 0.41739141673172525
Energy: 0.5507264372451763
Energy: 0.41739136700424123
Energy: 0.5507264372451763
Energy: 0.4158622192333178
Energy: 0.43846217571791607
Energy: 0.4158622192111699
Energy: 0.4384621756537982
Energy: 0.41586221923026295
Energy: 0.43846217561641054
Energy: 0.2446918341950066
Energy: 0.23112658742295675
Energy: 0.24469183430414929
Energy: 0.23112658882987006
Energy: 0.24469183405528036
Energy: 0.23112658762298224
Energy: 0.5251868182702893
Energy: 0.5881383104216797
Energy: 0.5251868182710532
Energy: 0.5881383104254984
Energy: 0.5251868182702893
Energy: 0.588138310417861
Energy: 0.4094784537489183
Energy: 0.765929605340098
Energy: 0.4094784537557918
Energy: 0.7659296053385706
Energy: 0.40947845375808295
Energy: 0.7659296053087854
Energy: 0.5251462133925732
Energy: 0.6142628689953339
Energy: 0.5251462133910457
Energy: 0.6142628689999162
Energy: 0.5251462133925732
Energy: 0.6142628689915152
Energy: 0.13636536471239272
Energy: 0.2573019597468524
Energy: 0.1365782749107886
Energy: 0.2573019597437975
Energy: 0.13672185685766192
Energy: 0.2573019597437975
Energy: 0.2581080653005271
Energy: 0.38302398446202623
Energy: 0.2581210686371429
Energy: 0.38302377677398264
Energy: 0.25811915957496334
Energy: 0.38302374726848204
Energy: 0.4058458120190699
Energy: 0.476588407703084
Energy: 0.40584384172293975
Energy: 0.4765884077053752
Energy: 0.4058454086266015
Energy: 0.47658840770384775
Energy: 0.8410088745402781
Energy: 0.20286588186503365
Energy: 0.8410088745402781
Energy: 0.20286587794585945
Energy: 0.8410088745402781
Energy: 0.2028658778755971
Energy: 0.17922572252540253
Energy: 0.3131695657468822
Energy: 0.17918787398546066
Energy: 0.31317023039316744
Energy: 0.1791766578607653
Energy: 0.3131693255784704

minimum gb energy = 0.06614304155639929 eV
minimum distance =  2.32366037758774 Angstroms
sigma value = 17


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

Energy: 1.1262467984230242
Energy: 0.458377213470905
Energy: 1.1262467984241045
Energy: 0.4583772134687448
Energy: 1.1262467984295048
Energy: 0.458377213470905
Energy: 0.4056536421830189
Energy: 0.3580093149313079
Energy: 0.405653647837895
Energy: 0.3580093150770676
Energy: 0.4056536090516361
Energy: 0.3580093152389791
Energy: 1.044877704716014
Energy: 0.43391180063139934
Energy: 1.0448777047149342
Energy: 0.43391179609065933
Energy: 1.0448777047149342
Energy: 0.4339117958293819
Energy: 0.3732770764496715
Energy: 0.5725411416978783
Energy: 0.37327587629086006
Energy: 0.572541141405279
Energy: 0.3732770703511342
Energy: 0.572541141288681
Energy: 0.671404402903625
Energy: 0.5581253114170586
Energy: 0.671404402904705
Energy: 0.5580144775939073
Energy: 0.6714044029003847
Energy: 0.5121681056596998
Energy: 1.106290195694889
Energy: 0.584772592134562
Energy: 1.106290195695969
Energy: 0.5847725921324018
Energy: 1.106290195693809
Energy: 0.584772592133482
Energy: 0.47206802189731445
Energy: 0.4653808591963746
Energy: 0.47206802197286984
Energy: 0.4653808591985347
Energy: 0.4720680219393879
Energy: 0.4653808591801737
Energy: 0.36663812892996406
Energy: 0.29400754345662655
Energy: 0.3666381289818072
Energy: 0.293343049108044
Energy: 0.36663812892888403
Energy: 0.2940251633886596
Energy: 0.741117988334676
Energy: 0.28189700072827567
Energy: 0.741117988334676
Energy: 0.28189701083208624
Energy: 0.741117988334676
Energy: 0.2818970032026552
Energy: 0.39318772781476363
Energy: 0.3431146972051015
Energy: 0.3931877335322344
Energy: 0.34311469082692564
Energy: 0.3931877294654465
Energy: 0.34311469529962163
Energy: 0.28423196806528583
Energy: 0.6277186044180273
Energy: 0.2843957786683268
Energy: 0.6277186044180273
Energy: 0.27494404410768974
Energy: 0.6277186044180273
Energy: 0.6810985740970311
Energy: 0.2880064029096572
Energy: 0.6810985747793377
Energy: 0.28800637889102715
Energy: 0.6810985705559893
Energy: 0.2880065295655268
Energy: 0.8328494432471102
Energy: 0.40554086630248
Energy: 0.8328494432460303
Energy: 0.40554086004301315
Energy: 0.8328494432460303
Energy: 0.405540874539693
Energy: 0.3670026344905439
Energy: 0.8930039310801515
Energy: 0.3670026106878287
Energy: 0.8930039310801515
Energy: 0.36700261390715844
Energy: 0.8930039310801515
Energy: 0.6324127501743821
Energy: 0.4948718182706054
Energy: 0.6324127501797825
Energy: 0.4948718180892526
Energy: 0.6324127501765423
Energy: 0.4948718187456375
Energy: 0.6296754022649924
Energy: 0.7312582151694309
Energy: 0.6296756319240964
Energy: 0.7312582153842656
Energy: 0.6296754225201363
Energy: 0.7312582151953525
Energy: 0.3563979512707009
Energy: 0.8934689270266155
Energy: 0.35639795125666
Energy: 0.8934689270298558
Energy: 0.356397951272861
Energy: 0.8934689270233755

minimum gb energy = 0.27494404410768974 eV
minimum distance =  2.32044128388327 Angstroms
sigma value = 17


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

Energy: 0.6421408331474387
Energy: 0.3778587046090325
Energy: 0.642140833143268
Energy: 0.37785870461320337
Energy: 0.6421408331453532
Energy: 0.377858704611535
Energy: 0.44701063990486317
Energy: 0.5878913288374233
Energy: 0.4470106400045079
Energy: 0.5878913288386746
Energy: 0.4470106397006065
Energy: 0.5878913288228255
Energy: 0.6599668618766981
Energy: 0.48528682198316136
Energy: 0.6599668618875423
Energy: 0.48528682203275625
Energy: 0.6599668619025572
Energy: 0.4852868219844126
Energy: 0.6698957617767933
Energy: 0.6460195374626614
Energy: 0.669895761780547
Energy: 0.6460195374634955
Energy: 0.6698957617872202
Energy: 0.6460195374630785
Energy: 0.6516359812199015
Energy: 0.3593695296488817
Energy: 0.6516359841252597
Energy: 0.35936952965138413
Energy: 0.651635981755625
Energy: 0.35936952964804747
Energy: 0.6573107659682011
Energy: 0.39222044943141454
Energy: 0.6573107659281612
Energy: 0.39222044938178174
Energy: 0.6573107659065108
Energy: 0.3922204493509555
Energy: 0.6207609820465366
Energy: 0.5725049230284385
Energy: 0.620760982058632
Energy: 0.5725049230259359
Energy: 0.6207609820477878
Energy: 0.5725049230251018
Energy: 0.8683469977358411
Energy: 0.40349856766237485
Energy: 0.868346997735424
Energy: 0.4041181017780074
Energy: 0.868346997735424
Energy: 0.3994006374000139
Energy: 0.8305561726043192
Energy: 0.36363214752947315
Energy: 0.8305561726055705
Energy: 0.3636386519331235
Energy: 0.8305561725980631
Energy: 0.363600645261153
Energy: 0.41867865650041974
Energy: 0.44477595712920975
Energy: 0.4186786559542692
Energy: 0.444775957130044
Energy: 0.4186786575989389
Energy: 0.4447759571304611
Energy: 0.5413334062772629
Energy: 0.41936174125974035
Energy: 0.5413334062743432
Energy: 0.4193617412914007
Energy: 0.5413334062601625
Energy: 0.41936174130599857
Energy: 0.5550215517901337
Energy: 0.47289006442726034
Energy: 0.5550215517976411
Energy: 0.4728944325318694
Energy: 0.5550215518046936
Energy: 0.47289088070080626
Energy: 0.3213079478039422
Energy: 0.34327801863450996
Energy: 0.32130796473995266
Energy: 0.34327801884923154
Energy: 0.321307960100745
Energy: 0.3432780169364916
Energy: 0.6534388558682774
Energy: 0.5141118478050891
Energy: 0.653438855871197
Energy: 0.5141118478063403
Energy: 0.6534388558695287
Energy: 0.5141118478063403
Energy: 0.5946092893012874
Energy: 0.47487797972933915
Energy: 0.5946092892958654
Energy: 0.4748831443269437
Energy: 0.5946092892921495
Energy: 0.4740395220648164
Energy: 0.3901957425981222
Energy: 0.32423741278572227
Energy: 0.3901957425947855
Energy: 0.32423746594765335
Energy: 0.39019574260187595
Energy: 0.324237486075444
Energy: 0.360804652900862
Energy: 0.594577998804136
Energy: 0.3608074876520279
Energy: 0.594577998804553
Energy: 0.36080312579087714
Energy: 0.5945779988053872
Energy: 0.541341618727657
Energy: 0.6652939711626712
Energy: 0.5413416187309935
Energy: 0.6652939711585003
Energy: 0.5413416187314106
Energy: 0.6652939711559978
Energy: 0.5534179623432188
Energy: 0.7567171473964805
Energy: 0.5534179624336878
Energy: 0.7567171473948123
Energy: 0.5534179624024446
Energy: 0.7567171473943953
Energy: 0.3518635976774417
Energy: 0.6211870990731729
Energy: 0.3518635977011774
Energy: 0.6211870990760925
Energy: 0.3518635976966275
Energy: 0.9354200766865133
Energy: 0.5233859422524522
Energy: 0.739695997575214
Energy: 0.5233859395680718
Energy: 0.7396959975760481
Energy: 0.5233859464468603
Energy: 0.7396959975672894
Energy: 0.5443321726662911
Energy: 0.6468684515228604
Energy: 0.5443321726642436
Energy: 0.6468684515370035
Energy: 0.5443321726662911
Energy: 0.6468684515291168
Energy: 0.3403695600136022
Energy: 0.5885341147831539
Energy: 0.3403712131970599
Energy: 0.5885341147823195
Energy: 0.34069861901741905
Energy: 0.5885341147827367
Energy: 0.39551328429289995
Energy: 0.35248623368563964
Energy: 0.3955132841828281
Energy: 0.35248623111754945
Energy: 0.39551328444464207
Energy: 0.35248623269552387
Energy: 0.5925183359020937
Energy: 0.3113413809072823
Energy: 0.5925183071432755
Energy: 0.31134133646813694
Energy: 0.5925182896556923
Energy: 0.3113413697115391
Energy: 0.3153314183921442
Energy: 0.5189319215168223
Energy: 0.3153314148435311
Energy: 0.5189319215159881
Energy: 0.3153314136520405
Energy: 0.5189319214993428
Energy: 0.3292144462670541
Energy: 0.33303567603253564
Energy: 0.32921444641587666
Energy: 0.33303567597414413
Energy: 0.3292144467235318
Energy: 0.3330356759949982
Energy: 0.5541450181507335
Energy: 0.30453741700755066
Energy: 0.5541450181486481
Energy: 0.3031550141920283
Energy: 0.5541450181590752
Energy: 0.29349526959998273
Energy: 0.4007018249520914
Energy: 0.44657101675857763
Energy: 0.4007019613950671
Energy: 0.446571016750653
Energy: 0.40070187165375715
Energy: 0.44657101676108013
Energy: 0.42372156203088845
Energy: 0.4477259710393416
Energy: 0.42372156203130557
Energy: 0.44772597103642203
Energy: 0.4237215620300543
Energy: 0.4477259710339575
Energy: 0.8780652707163115
Energy: 0.4726299630667027
Energy: 0.8780652707154774
Energy: 0.47262996305422816
Energy: 0.8780652707167286
Energy: 0.47262996306461724
Energy: 0.45289683910078593
Energy: 0.4189797094574949
Energy: 0.4528908291285064
Energy: 0.41897937337703617
Energy: 0.45290343844649855
Energy: 0.41897931150904055
Energy: 0.6141216781896697
Energy: 0.5860800428728866
Energy: 0.6141216804196576
Energy: 0.586080042889532
Energy: 0.6141216823824095
Energy: 0.5860800428791049
Energy: 0.6507262158217898
Energy: 0.5847512446724042
Energy: 0.6507262158192872
Energy: 0.584751244671153
Energy: 0.650726215823041
Energy: 0.5847512447103588
Energy: 0.6973080654186532
Energy: 0.34678484537901244
Energy: 0.6973080654353365
Energy: 0.34678483498827617
Energy: 0.6973080654153164
Energy: 0.34678484534856535
Energy: 0.35768060089393383
Energy: 0.8424154677744079
Energy: 0.3590483024840966
Energy: 0.8424154677748249
Energy: 0.3601145124195503
Energy: 0.8424154677731568
Energy: 0.6814634945878157
Energy: 0.5028441441552836
Energy: 0.6814634945819766
Energy: 0.5028441441323819
Energy: 0.6814634945865645
Energy: 0.5028441441640422
Energy: 0.39759300096949846
Energy: 0.3944201684820498
Energy: 0.39759300039377304
Energy: 0.39442016847829603
Energy: 0.39759300059469305
Energy: 0.3944201684787132
Energy: 0.6421408314802844
Energy: 0.3778587046107008
Energy: 0.6421408314882091
Energy: 0.37785870461320337
Energy: 0.6421408314798673
Energy: 0.3778587046111179
Energy: 0.44701061712143303
Energy: 0.5878913289583393
Energy: 0.4470106173749053
Energy: 0.5878913289920851
Energy: 0.44701061729402924
Energy: 0.5878913289324802
Energy: 0.6599668619342176
Energy: 0.48528682203108786
Energy: 0.6599668618958839
Energy: 0.48528682202232926
Energy: 0.6599668619154867
Energy: 0.4852868220423491
Energy: 0.6698957617897228
Energy: 0.6054514492094666
Energy: 0.6698957617851349
Energy: 0.6054514492098836
Energy: 0.6698957617817982
Energy: 0.6054514492115519
Energy: 0.651635971859321
Energy: 0.3593695296672333
Energy: 0.6516359714816339
Energy: 0.35936952968804947
Energy: 0.6516359714023883
Energy: 0.35936952967307245

minimum gb energy = 0.29349526959998273 eV
minimum distance =  2.35600227225407 Angstroms
sigma value = 57


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

Energy: 0.7931465696527051
Energy: 0.3194131993875758
Energy: 0.7931465696513471
Energy: 0.3194131995491422
Energy: 0.7931465696520261
Energy: 0.3194131994527086
Energy: 0.27700207099008073
Energy: 0.31812259125333964
Energy: 0.27689091894689744
Energy: 0.31812259124586945
Energy: 0.2754501036882378
Energy: 0.3181225912499441
Energy: 0.5780994822516057
Energy: 0.38177768187505673
Energy: 0.5780994822482101
Energy: 0.3817776818669074
Energy: 0.5780994822488893
Energy: 0.3817776818560417
Energy: 0.4546852027624215
Energy: 0.4890546991077858
Energy: 0.4546852027617425
Energy: 0.4890546991077858
Energy: 0.45468520277668284
Energy: 0.48905469910846494
Energy: 0.5346099703600955
Energy: 0.37164291932602805
Energy: 0.5346099703573791
Energy: 0.3716429193185578
Energy: 0.5346099703621328
Energy: 0.37164291931719956
Energy: 0.5631120331505995
Energy: 0.32365254917290565
Energy: 0.5631120332042493
Energy: 0.3236525491444448
Energy: 0.5631120331512788
Energy: 0.32365254922315984
Energy: 0.5353263141612941
Energy: 0.7518041312184675
Energy: 0.5353263135564542
Energy: 0.7518041312184675
Energy: 0.5353263140785044
Energy: 0.7518041312177884
Energy: 0.41825531674779104
Energy: 0.5103283764745299
Energy: 0.418237074476873
Energy: 0.510328376481321
Energy: 0.4181235101264651
Energy: 0.5103283764772463
Energy: 0.5261993905114604
Energy: 0.38594361073494104
Energy: 0.526199390509423
Energy: 0.38593084211240664
Energy: 0.5261993905087439
Energy: 0.3859442070097514
Energy: 0.5279441829013246
Energy: 0.5035041605092608
Energy: 0.5279441828904589
Energy: 0.5035041605764309
Energy: 0.5279441829026829
Energy: 0.5035041604644395
Energy: 0.5627034145801312
Energy: 0.35094013512139843
Energy: 0.5627034145801312
Energy: 0.3509401350087279
Energy: 0.5627034145794519
Energy: 0.350940133392508
Energy: 0.5211089120404951
Energy: 0.407072697066667
Energy: 0.5211089120384578
Energy: 0.4070685346216193
Energy: 0.5211089120404951
Energy: 0.40705314226814887
Energy: 0.3458609705579622
Energy: 0.5030316516639115
Energy: 0.3458609705667907
Energy: 0.5030316516632324
Energy: 0.34586097055524584
Energy: 0.5030316516659489
Energy: 0.35503776689661354
Energy: 0.3755843203675643
Energy: 0.35503776689933
Energy: 0.3756597408392611
Energy: 0.3550377669122331
Energy: 0.3756620281229048
Energy: 0.5146948310441305
Energy: 0.37479881822103445
Energy: 0.5146948310434514
Energy: 0.37399148163232937
Energy: 0.5146948310448095
Energy: 0.37495421045540805
Energy: 0.35661560503028333
Energy: 0.32059202780338064
Energy: 0.35661560521827335
Energy: 0.32059202770768785
Energy: 0.3566156049976861
Energy: 0.32059202795883507
Energy: 0.29918636970461493
Energy: 0.4681485949070721
Energy: 0.2991874592790077
Energy: 0.46814859490367655
Energy: 0.29918690467283876
Energy: 0.4681485949063931
Energy: 0.3921558861405936
Energy: 0.5068918544133298
Energy: 0.3921558861371981
Energy: 0.5068923459208646
Energy: 0.3921558861656589
Energy: 0.5068895844182814
Energy: 0.5106922937394055
Energy: 0.3138206541747279
Energy: 0.5106922937380473
Energy: 0.3138206540640947
Energy: 0.5106922937387265
Energy: 0.3138206540077903
Energy: 0.3334838602858929
Energy: 0.6608784635431333
Energy: 0.33348385931995156
Energy: 0.6608784635451707
Energy: 0.33348386928897655
Energy: 0.6608784635451707
Energy: 0.45935056899898624
Energy: 1.2270563326244006
Energy: 0.4593505689799712
Energy: 1.2270563326244006
Energy: 0.45935056889718145
Energy: 1.2270563326237216
Energy: 0.37161978676597746
Energy: 0.5972528126301038
Energy: 0.3716197867794979
Energy: 0.5972528019796229
Energy: 0.37161978676733565
Energy: 0.5972528136415454
Energy: 0.28940877048719726
Energy: 0.5894274507137836
Energy: 0.28940880759833193
Energy: 0.5894275345866989
Energy: 0.2894087631926924
Energy: 0.5894275696674801
Energy: 0.47813238165839267
Energy: 0.793333197485657
Energy: 0.47813238056619867
Energy: 0.793333197478866
Energy: 0.4781323805966968
Energy: 0.7933331974951646
Energy: 0.5231419520170524
Energy: 0.5792563418172196
Energy: 0.5231419519959999
Energy: 0.5792563418328391
Energy: 0.5231419520014329
Energy: 0.5792563418423466
Energy: 0.38473189230543936
Energy: 0.5528473713050357
Energy: 0.3847318921656044
Energy: 0.5528473713050357
Energy: 0.3847318923434695
Energy: 0.5528473713050357
Energy: 0.35801368234267367
Energy: 0.5648171857960816
Energy: 0.35801368228908576
Energy: 0.5648171188112102
Energy: 0.3580136824702846
Energy: 0.5648171988020245

minimum gb energy = 0.2754501036882378 eV
minimum distance =  2.31685429624098 Angstroms
sigma value = 43


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

Energy: 0.5137486077510989
Energy: 0.21829047278917288
Energy: 0.5137487176468909
Energy: 0.21829421352942968
Energy: 0.5137487575038088
Energy: 0.21828882290377943
Energy: 0.26768285353329946
Energy: 0.3207173139754577
Energy: 0.26732553045991064
Energy: 0.3207521760477912
Energy: 0.26768985596646494
Energy: 0.3207151223419412
Energy: 0.46705493363783956
Energy: 0.4117250016088153
Energy: 0.4670549209992819
Energy: 0.41172500159694003
Energy: 0.46705492249884806
Energy: 0.4117250016088153
Energy: 0.3223213525909061
Energy: 0.3378519076853547
Energy: 0.3223213995312351
Energy: 0.3378519076774379
Energy: 0.3223213419237312
Energy: 0.33785190767892237
Energy: 0.4099550946372886
Energy: 0.2322531199819583
Energy: 0.4099550925254269
Energy: 0.23225378700784052
Energy: 0.40995509341517156
Energy: 0.23225337195845921
Energy: 0.38099176334971535
Energy: 0.203358466260058
Energy: 0.38099176335119983
Energy: 0.20335880896334638
Energy: 0.38099176334971535
Energy: 0.20335841098599716
Energy: 0.4047785145412123
Energy: 0.4525345197024735
Energy: 0.40477851454616026
Energy: 0.45253452082320095
Energy: 0.4047785144952406
Energy: 0.4525345205610906
Energy: 0.4213143829149206
Energy: 0.4247779914449349
Energy: 0.4213143801323768
Energy: 0.42477799153791274
Energy: 0.4213143815815181
Energy: 0.4247779914335545
Energy: 0.41377613745436753
Energy: 0.43303228512487546
Energy: 0.413776137452883
Energy: 0.43303228513328706
Energy: 0.413776137455357
Energy: 0.4330322850937029
Energy: 0.37387646937750457
Energy: 0.3804889487129781
Energy: 0.3738764677097956
Energy: 0.38048897144995786
Energy: 0.3738764691262799
Energy: 0.3804889452597971
Energy: 0.33506206461703664
Energy: 0.4595718246118215
Energy: 0.3350620670666683
Energy: 0.4595718246118215
Energy: 0.33506206930317517
Energy: 0.4595718246118215
Energy: 0.35673978318677846
Energy: 0.3859900149939443
Energy: 0.3567397831847993
Energy: 0.3859900151081987
Energy: 0.3567397831862837
Energy: 0.3859900151309596
Energy: 0.4146983466606645
Energy: 0.529503318565844
Energy: 0.4146983460804862
Energy: 0.5295033188165738
Energy: 0.41469835018851564
Energy: 0.5295033186603061
Energy: 0.493846979689163
Energy: 0.41062589845307956
Energy: 0.49384697969609026
Energy: 0.4106258986449729
Energy: 0.493846979711924
Energy: 0.41062589768550606
Energy: 0.540152100103339
Energy: 0.36476087893491094
Energy: 0.5401521001028443
Energy: 0.36476087218085823
Energy: 0.5401521001013599
Energy: 0.3647608951493156
Energy: 0.3496882095702718
Energy: 0.37587632937936505
Energy: 0.34968820959942015
Energy: 0.3758763294743221
Energy: 0.3496882095153487
Energy: 0.37587632927847037
Energy: 0.3790447837466081
Energy: 0.4168571941271242
Energy: 0.37904478374363926
Energy: 0.41685719417804384
Energy: 0.37904478374264966
Energy: 0.41685719413944927
Energy: 0.357134530595863
Energy: 0.39555160708714115
Energy: 0.3571345305953682
Energy: 0.3955516070831827
Energy: 0.35713453059635786
Energy: 0.39555160708664633
Energy: 0.45685788773280045
Energy: 0.3644200065782907
Energy: 0.45685788770612606
Energy: 0.3644200064897661
Energy: 0.4568578877189459
Energy: 0.3644200064877869
Energy: 0.3543063568855558
Energy: 0.4168199444152009
Energy: 0.3543061088582527
Energy: 0.416819944234643
Energy: 0.35430736810741026
Energy: 0.4168199440942091
Energy: 0.3908873695416193
Energy: 0.39354319392206316
Energy: 0.39088736953964004
Energy: 0.3935431497038671
Energy: 0.39088736953226305
Energy: 0.393543205518522
Energy: 0.400584233371569
Energy: 0.5873940867393865
Energy: 0.4016738923890662
Energy: 0.5873940993700273
Energy: 0.3945460424868138
Energy: 0.5873940904437921
Energy: 0.19370913273845802
Energy: 0.701750917416942
Energy: 0.19337808670189374
Energy: 0.701750917416942
Energy: 0.19484820057773383
Energy: 0.701750917416447
Energy: 0.36952603733730793
Energy: 0.5936755104634195
Energy: 0.36952603735606543
Energy: 0.593677331866171
Energy: 0.3695260373476538
Energy: 0.5936801139335324
Energy: 0.45168943535881034
Energy: 0.42622266615111076
Energy: 0.45168943549033785
Energy: 0.42622266615111076
Energy: 0.45168943526484295
Energy: 0.42622266614863663
Energy: 0.22622854134399512
Energy: 0.3336181420518865
Energy: 0.23301071862562586
Energy: 0.333618145175664
Energy: 0.2261841376152027
Energy: 0.3336181445480296
Energy: 0.35492362607531514
Energy: 0.40955130052051286
Energy: 0.35492362607531514
Energy: 0.40955135836295803
Energy: 0.35492362607630473
Energy: 0.4095514524113089
Energy: 0.2634972738011141
Energy: 0.459897570070834
Energy: 0.26349727874693396
Energy: 0.45989757009606896
Energy: 0.26349727585512883
Energy: 0.45989757009112087
Energy: 0.22753928646613222
Energy: 0.3782640689920669
Energy: 0.22753928648048155
Energy: 0.3782640689881085
Energy: 0.2275392864785023
Energy: 0.37826406899454096
Energy: 0.3517560879879625
Energy: 0.462428905629666
Energy: 0.3517560880146368
Energy: 0.46242818005557057
Energy: 0.3517560879627275
Energy: 0.4624295934587054
Energy: 0.3205811481083287
Energy: 0.4280706035790495
Energy: 0.3205811480835887
Energy: 0.4280706035028949
Energy: 0.3205811480954639
Energy: 0.42807060365030103
Energy: 0.3890785373520876
Energy: 0.4925448662969021
Energy: 0.38907853736544723
Energy: 0.49254486629640726
Energy: 0.38907853734812914
Energy: 0.49254486629640726
Energy: 0.42078343276958613
Energy: 0.4170662399073657
Energy: 0.420783430626552
Energy: 0.41706624019718497
Energy: 0.4207834283208178
Energy: 0.4170662400700657
Energy: 0.3100911957219216
Energy: 0.44227895758602853
Energy: 0.3263776100384865
Energy: 0.44227895758305974
Energy: 0.30675486011591296
Energy: 0.44227895757662733
Energy: 0.37192629182323783
Energy: 0.5812333656606689
Energy: 0.3719262921476483
Energy: 0.581233365662648
Energy: 0.37192629204477434
Energy: 0.5812333656631428
Energy: 0.28883781375602874
Energy: 0.4004021125788171
Energy: 0.2888378616004966
Energy: 0.4004021154414288
Energy: 0.2888378483347994
Energy: 0.4004021127256834

minimum gb energy = 0.19337808670189374 eV
minimum distance =  2.30870081877254 Angstroms
sigma value = 81


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

Energy: -0.041394603716002704
Energy: -0.04247717073742833
Energy: -0.041394603716002704
Energy: -0.04247717073742833
Energy: -0.041394603716002704
Energy: -0.04247717073742833
Energy: 0.6964606288331572
Energy: -0.00238338052274289
Energy: 0.6964606288331572
Energy: -0.0023833805209248697
Energy: 0.6964606288331572
Energy: -0.00238338052274289
Energy: 0.6964345687512357
Energy: 0.012627676398002979
Energy: 0.6964345687494177
Energy: 0.012627676398002979
Energy: 0.6964345687512357
Energy: 0.012627676399821
Energy: -0.041394603716002704
Energy: -0.04247717073742833
Energy: -0.041394603716002704
Energy: -0.04247717073742833
Energy: -0.041394603716002704
Energy: -0.04247717073742833
Energy: 0.6964606288331572
Energy: -0.00238338052274289
Energy: 0.6964606288331572
Energy: -0.00238338052274289
Energy: 0.6964606288331572
Energy: -0.0023833805209248697
Energy: 0.6964345687512357
Energy: 0.01262767640163902
Energy: 0.6964345687512357
Energy: 0.012627676399821
Energy: 0.6964345687512357
Energy: 0.01262767640163902
Energy: -0.041394603716002704
Energy: -0.04247717073742833
Energy: -0.041394603716002704
Energy: -0.04247717073742833
Energy: -0.041394603716002704
Energy: -0.04247717073742833
Energy: 0.6964606288331572
Energy: -0.00238338052274289
Energy: 0.6964606288331572
Energy: -0.0023833805209248697
Energy: 0.6964606288331572
Energy: -0.0023833805209248697
Energy: 0.6964345687512357
Energy: 0.012627676399821
Energy: 0.6964345687512357
Energy: 0.012627676399821
Energy: 0.6964345687512357
Energy: 0.012627676399821
Energy: -0.041394603716002704
Energy: -0.04247717073742833
Energy: -0.041394603716002704
Energy: -0.04247717073742833
Energy: -0.041394603716002704
Energy: -0.04247717073742833

minimum gb energy = -0.04247717073742833 eV
minimum distance =  2.47623911651027 Angstroms
sigma value = 3


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

Energy: 0.03350974945888993
Energy: -0.04405225295120052
Energy: 0.0335097652613461
Energy: -0.04405228479702704
Energy: 0.03350975505956326
Energy: -0.04405235927615489
Energy: -0.05763716973739047
Energy: 0.0801699663085254
Energy: -0.05753936417698595
Energy: 0.0801699663188623
Energy: -0.057808846038776285
Energy: 0.08016996631233374
Energy: 0.04580581564913704
Energy: 0.10173302740230482
Energy: 0.04580581555887459
Energy: 0.10173302804071996
Energy: 0.045805815640432276
Energy: 0.10173302741748869
Energy: 0.007481020761419741
Energy: 0.08453919467528968
Energy: 0.007481020791836949
Energy: 0.08453919450510171
Energy: 0.007481020760875695
Energy: 0.08453919475254446
Energy: 0.003256161919223188
Energy: 0.005310927855963924
Energy: 0.0032561619257517596
Energy: 0.005310927867388924
Energy: 0.0032561619061660454
Energy: 0.005310927855963924
Energy: -0.07732984625820812
Energy: 0.11929049775993884
Energy: -0.07732984094523704
Energy: 0.11929049776592335
Energy: -0.07732984100231258
Energy: 0.11929049776809957
Energy: 0.05191549359506766
Energy: 0.26148627041898553
Energy: 0.05191549710966464
Energy: 0.26148627041844147
Energy: 0.05191549406220672
Energy: 0.26148627041898553
Energy: 0.05959102220296182
Energy: 0.011733945982914334
Energy: 0.059591022204049916
Energy: 0.011733955243395898
Energy: 0.05959102220296182
Energy: 0.011733951096318848
Energy: -0.011088479843112604
Energy: 0.16329117525192496
Energy: -0.011088483040727671
Energy: 0.16329117525736545
Energy: -0.011088484354009128
Energy: 0.1632911752546452
Energy: 0.03764664128667742
Energy: 0.16012861531379233
Energy: 0.03764664128558933
Energy: 0.1601286154377857
Energy: 0.03764664128232505
Energy: 0.1601286153834304
Energy: 0.169553186797653
Energy: 0.016818333093583344
Energy: 0.16955318679602085
Energy: 0.016822290415981045
Energy: 0.169553186797653
Energy: 0.01681905875822538
Energy: -0.07167086329645608
Energy: 0.07033746998720276
Energy: -0.07167086329101562
Energy: 0.0703374805827277
Energy: -0.071670863306793
Energy: 0.07033746806701147
Energy: -0.005356553760388479
Energy: 0.11806397156081012
Energy: -0.00535655234705172
Energy: 0.11806397155863392
Energy: -0.005356554118223425
Energy: 0.11806397155808988
Energy: 0.176850842847358
Energy: 0.23576308432629886
Energy: 0.17685084284681396
Energy: 0.2321881301132302
Energy: 0.176850842847358
Energy: 0.2359598775428616
Energy: 0.15180767400161133
Energy: -0.08039098130731671
Energy: 0.15180767400754636
Energy: -0.15266131835191715
Energy: 0.15180767242347756
Energy: -0.1515175330358703
Energy: -0.0030906784102276755
Energy: 0.06784995371583426
Energy: -0.0030906784972258338
Energy: 0.06784995371801045
Energy: -0.003090678471705055
Energy: 0.06784995371583426
Energy: 0.13322541177035316
Energy: 0.12982513159178288
Energy: 0.13322541177579364
Energy: 0.12982512610476604
Energy: 0.13322541176817695
Energy: 0.1298251293817626
Energy: 0.07366594546109918
Energy: -0.11026389397431685
Energy: 0.07366594544482721
Energy: -0.1102639359664828
Energy: 0.07366594546490753
Energy: -0.11026390801049772
Energy: 0.12254911236980513
Energy: 0.25440233444340166
Energy: 0.12254911236817298
Energy: 0.2544023344504249
Energy: 0.12254911236218845
Energy: 0.2544023344536892
Energy: -0.07174478012875475
Energy: 0.21320628712981976
Energy: -0.0717447854585913
Energy: 0.21320628811627698
Energy: -0.07174478159105578
Energy: 0.2132062887003368
Energy: 0.06114987988425221
Energy: 0.05759849081169391
Energy: 0.061149877535549235
Energy: 0.0575984910232295
Energy: 0.06114991831231285
Energy: 0.057598490715990984
Energy: 0.08138635553136848
Energy: -0.03528761179696578
Energy: 0.0813863575548299
Energy: -0.03528763714701229
Energy: 0.081386354979358
Energy: -0.03528762579016692
Energy: -0.04746599187802729
Energy: 0.08573840387979284
Energy: -0.04746597895664939
Energy: 0.08573840490759768
Energy: -0.047465980937180505
Energy: 0.08573840603867265
Energy: 0.13384660669343643
Energy: -0.12660256198734368
Energy: 0.13384660669126022
Energy: -0.12660256198788775
Energy: 0.13384660669289236
Energy: -0.12660256198788775
Energy: 0.09502452524206495
Energy: 0.07326692665339289
Energy: 0.095024525242609
Energy: 0.07326692722004319
Energy: 0.09502452524097686
Energy: 0.07326692712325218
Energy: 0.004521770715302917
Energy: 0.1182641456323695
Energy: 0.004521773403293753
Energy: 0.11826414558835112
Energy: 0.004521769978959214
Energy: 0.1182641456231207
Energy: 0.09003347839032465
Energy: 0.11822066039818654
Energy: 0.0900334783908687
Energy: 0.11822066039165798
Energy: 0.09003347856382639
Energy: 0.11822066039383416
Energy: 0.05872959171002529
Energy: 0.10195332669766896
Energy: 0.05872958572485868
Energy: 0.10195321367736802
Energy: 0.05872958534422319
Energy: 0.10195332733771624
Energy: 0.1529107552527512
Energy: -0.011917611747822203
Energy: 0.1529107552609119
Energy: -0.011917611956637566
Energy: 0.15291075525819167
Energy: -0.011917611854406075
Energy: 0.08572257637596412
Energy: 0.12660953390115826
Energy: 0.08572257636290698
Energy: 0.12660953390115826
Energy: 0.08572257637759625
Energy: 0.12660953389299753
Energy: 0.06809321712075628
Energy: 0.1185662557691021
Energy: 0.06809299563398122
Energy: 0.11856625576202945
Energy: 0.06809305126210687
Energy: 0.1185662557691021
Energy: 0.2175247984213861
Energy: 0.05199514991642409
Energy: 0.21752479842247424
Energy: 0.051995149913703846
Energy: 0.21752479842193015
Energy: 0.05199514992186456
Energy: 0.1563190800469628
Energy: 0.1365605807011958
Energy: 0.1563190800132813
Energy: 0.136560580703372
Energy: 0.15631908003499373
Energy: 0.13656058070173985

minimum gb energy = -0.15266131835191715 eV
minimum distance =  2.38934442355093 Angstroms
sigma value = 67


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

Energy: 0.12117140975068393
Energy: 0.9932890481550556
Energy: 0.12117120919232183
Energy: 0.9932890481550556
Energy: 0.12117139723666842
Energy: 0.993289048155831
Energy: 0.1277678810422918
Energy: 0.3411353762711097
Energy: 0.12776788106167195
Energy: 0.3411353759224077
Energy: 0.12776788103143893
Energy: 0.3411353759782226
Energy: 0.20923847937415577
Energy: 0.21847260646427677
Energy: 0.2092152806833043
Energy: 0.2184726068408861
Energy: 0.20924255595824504
Energy: 0.2184726065317197
Energy: 0.32715566581694605
Energy: 0.3616370170257169
Energy: 0.3271556660021499
Energy: 0.36163701725503705
Energy: 0.3271556639309394
Energy: 0.3616370175773819
Energy: 0.2652969748250814
Energy: 0.13227228878937838
Energy: 0.2652969748266318
Energy: 0.13227228881023848
Energy: 0.26529697482585657
Energy: 0.1322722888094633
Energy: 0.2148996314727502
Energy: 0.2722952272424813
Energy: 0.2148996314735254
Energy: 0.27229522724170613
Energy: 0.21489963147119978
Energy: 0.27229522724325655
Energy: 0.10098304818890656
Energy: 0.41216659228778696
Energy: 0.1009830481578983
Energy: 0.41216659229011265
Energy: 0.10098304816720077
Energy: 0.412166592291663
Energy: 0.3378897197724938
Energy: 0.42893531145631275
Energy: 0.3378897197701682
Energy: 0.42893531145708796
Energy: 0.3378897197709434
Energy: 0.42893531145708796
Energy: 0.24665506837118903
Energy: 0.25973362351964185
Energy: 0.24665506836963863
Energy: 0.25973362521353827
Energy: 0.24665506836963863
Energy: 0.2597336231338005
Energy: 0.13157976529125345
Energy: 0.3436710864815471
Energy: 0.13157976358037296
Energy: 0.3436710866171378
Energy: 0.1315797662016981
Energy: 0.34367108610106173
Energy: 0.3399549077333351
Energy: 0.2781688179111089
Energy: 0.3399549077286838
Energy: 0.27816881791188414
Energy: 0.3399549077341103
Energy: 0.2781688179111089
Energy: 0.2724405608499199
Energy: 0.159769047010046
Energy: 0.2724405608506951
Energy: 0.1597690464986212
Energy: 0.27244056084681906
Energy: 0.15976904650482285
Energy: 0.030630808321169944
Energy: 0.6625640943939103
Energy: 0.030630808328076332
Energy: 0.6625640943760807
Energy: 0.03063080832272036
Energy: 0.6625640943799567
Energy: 0.2010777637595684
Energy: 0.2142262115715735
Energy: 0.20107776007747907
Energy: 0.21422621122442204
Energy: 0.20107776199681957
Energy: 0.21422621152273552
Energy: 0.08100107949558244
Energy: 0.08869063333075064
Energy: 0.08100107788308272
Energy: 0.08869063334005312
Energy: 0.08100107889423372
Energy: 0.08869063333075064
Energy: 0.2239489570626531
Energy: 0.19449350530642323
Energy: 0.22394895705490103
Energy: 0.19449349344097358
Energy: 0.22394895705645143
Energy: 0.1944935045145147
Energy: 0.2475681413566642
Energy: 0.232795805508571
Energy: 0.24756814135588898
Energy: 0.23279580551244702
Energy: 0.2475681413574394
Energy: 0.23279580551244702
Energy: 0.13485890655636149
Energy: 0.14838198400431238
Energy: 0.13485892000097702
Energy: 0.1483819839950099
Energy: 0.13485888327557516
Energy: 0.148381983935319
Energy: 0.25218864272510144
Energy: 0.2123955341606012
Energy: 0.2521886427266518
Energy: 0.21239553415362433
Energy: 0.25218864272510144
Energy: 0.21239553417067888
Energy: 0.6871981782678581
Energy: 0.09605407475000452
Energy: 0.6871981782655324
Energy: 0.09605429040424221
Energy: 0.6871981782577803
Energy: 0.09605412722294862
Energy: 0.1455576821936351
Energy: 0.1909363059351054
Energy: 0.14555768177826542
Energy: 0.1909363059351054
Energy: 0.1455576813342836
Energy: 0.19093630593665584
Energy: 0.09540186663077956
Energy: 0.639356409965351
Energy: 0.09540186666488863
Energy: 0.6393564099700022
Energy: 0.095401866636206
Energy: 0.6393564099715527
Energy: 0.38516638296562594
Energy: 0.22011834203561598
Energy: 0.3851663829648508
Energy: 0.22011834202243744
Energy: 0.3851663829648508
Energy: 0.22011834202088704

minimum gb energy = 0.030630808321169944 eV
minimum distance =  2.40447140619242 Angstroms
sigma value = 33


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

Energy: 0.330131133603044
Energy: 0.21655976102854282
Energy: 0.330131132611087
Energy: 0.2165597610290346
Energy: 0.3301311332093102
Energy: 0.21655976102952637
Energy: 0.2754742470189315
Energy: 0.2588605733839201
Energy: 0.27547424716740315
Energy: 0.25886057338490365
Energy: 0.27547424703024226
Energy: 0.2588605733829366
Energy: 0.29241100616615096
Energy: 0.08736050747083983
Energy: 0.2924109450424111
Energy: 0.08735932405839644
Energy: 0.2924108642799522
Energy: 0.08736097003892758
Energy: 0.39424642622548284
Energy: 0.4610292751071806
Energy: 0.39424642621023775
Energy: 0.46102927510570524
Energy: 0.39424642623187595
Energy: 0.46102927510570524
Energy: 0.42576632291449384
Energy: 0.258127470325187
Energy: 0.42576632278126725
Energy: 0.25812747420454
Energy: 0.4257663221850111
Energy: 0.258127470875708
Energy: 0.6468315822020653
Energy: 0.30331487152710856
Energy: 0.6468315839672283
Energy: 0.3033148715280921
Energy: 0.646831578997563
Energy: 0.3033148715295674
Energy: 0.4362750489946101
Energy: 0.6512514941111459
Energy: 0.4362750489951019
Energy: 0.6512514941121295
Energy: 0.43627504899411834
Energy: 0.6512514941116377
Energy: 0.30499497589136304
Energy: 0.4693756843441939
Energy: 0.30499497588742885
Energy: 0.46937568434321036
Energy: 0.3049949758898877
Energy: 0.4693756843446857
Energy: 0.26135362658702893
Energy: 0.39086468274050035
Energy: 0.26135362658702893
Energy: 0.39086468274148384
Energy: 0.26135362658702893
Energy: 0.3908646827395168
Energy: 0.2951874533366102
Energy: 0.8728653138633139
Energy: 0.2951877811756291
Energy: 0.8728653138638057
Energy: 0.29518753200700903
Energy: 0.8728653138633139
Energy: 0.34309227943956205
Energy: 0.6846905298049001
Energy: 0.3430922676092632
Energy: 0.6846905298053918
Energy: 0.34309226784670166
Energy: 0.6846905298063753
Energy: 0.26531875788486536
Energy: 0.30956749663413413
Energy: 0.26531875767152396
Energy: 0.30956749663708477
Energy: 0.2653187583887123
Energy: 0.30956749664249433
Energy: 0.6336774615937532
Energy: 0.3283560133167437
Energy: 0.6336774615996544
Energy: 0.32835601331477665
Energy: 0.6336774615952284
Energy: 0.3283560133167437
Energy: 0.34464255206423106
Energy: 0.24441802159193537
Energy: 0.34464253194330324
Energy: 0.24441802165094847
Energy: 0.34464254110544873
Energy: 0.24441802162881857
Energy: 0.23199207617519765
Energy: 0.15905232044372167
Energy: 0.23199212571291722
Energy: 0.15905232044962295
Energy: 0.23199212422989945
Energy: 0.159052320440771
Energy: 0.3989929512543562
Energy: 0.3717433746364837
Energy: 0.3989929512548479
Energy: 0.3717433747372531
Energy: 0.3989929512577986
Energy: 0.3717433746473028
Energy: 1.0372653292423315
Energy: 0.06162728573942427
Energy: 1.0372653292428233
Energy: 0.061627286106602154
Energy: 1.0372653292423315
Energy: 0.061627286336172156
Energy: 0.3580684223203618
Energy: 0.17157151358972336
Energy: 0.3580684223262631
Energy: 0.17157149583566897
Energy: 0.3580684223159805
Energy: 0.1715714681147446
Energy: 0.2774554103843712
Energy: 0.40980887911588537
Energy: 0.2774554103863383
Energy: 0.40980890730180636
Energy: 0.2774554103799452
Energy: 0.4098088908434925
Energy: 0.46232959544583224
Energy: 0.09655238114989043
Energy: 0.4623295905602607
Energy: 0.09653268608721802
Energy: 0.46232959905533433
Energy: 0.09655474162085179
Energy: 0.40059933553839605
Energy: 0.3439387373990562
Energy: 0.40059933554183846
Energy: 0.34393873738823716
Energy: 0.40059933554872335
Energy: 0.3439387374029904
Energy: 0.08048917205015958
Energy: 0.38310259088766585
Energy: 0.08048915084683265
Energy: 0.3831025909038944
Energy: 0.08048921330216792
Energy: 0.3831025908700066
Energy: 0.3825812156562203
Energy: 0.26829831565503554
Energy: 0.38258121567048176
Energy: 0.2683000903514215
Energy: 0.38258121566703934
Energy: 0.26829846420180437
Energy: 0.1862906296661878
Energy: 0.22703821521503273
Energy: 0.186290249372055
Energy: 0.2270382152135574
Energy: 0.18629098280569878
Energy: 0.2270382152120821
Energy: 0.24903814218562723
Energy: 0.39663858194555285
Energy: 0.24903814148860173
Energy: 0.396638602874111
Energy: 0.24903814022527376
Energy: 0.39663857597507857
Energy: 0.45514641577630943
Energy: 0.3951206218872594
Energy: 0.45514641577970716
Energy: 0.39512062186808017
Energy: 0.45514641577581766
Energy: 0.39512062188627584
Energy: 0.432863105385709
Energy: 0.43787501141117535
Energy: 0.43286310538620076
Energy: 0.4378750114082247
Energy: 0.4328631053916103
Energy: 0.4378750114101918
Energy: 0.08008173403373532
Energy: 0.45358232575822427
Energy: 0.08003888356723113
Energy: 0.45358232575969964
Energy: 0.08010142988731775
Energy: 0.45358232576363383
Energy: 0.3190611187189907
Energy: 0.273532387000213
Energy: 0.31906111871800713
Energy: 0.2735323869943117
Energy: 0.3190611187189907
Energy: 0.27353238699529525
Energy: 0.26165551115797925
Energy: 0.6318948239977318
Energy: 0.2616555111633888
Energy: 0.6318948239937975
Energy: 0.2616555111501108
Energy: 0.6318948240006824
Energy: 0.3548391318695875
Energy: 0.38110120916704826
Energy: 0.35483913071051604
Energy: 0.38110120916655654
Energy: 0.3548391315269984
Energy: 0.38110120916655654
Energy: 0.28853172431956875
Energy: 0.49126765767603653
Energy: 0.2885317243132204
Energy: 0.49126765767505304
Energy: 0.28853172431469565
Energy: 0.49126765767603653
Energy: 0.376164574395013
Energy: 0.40172131099121544
Energy: 0.376164574395013
Energy: 0.4017213109892483
Energy: 0.3761645743881281
Energy: 0.40172131099072367
Energy: 0.08089140508768737
Energy: 0.16117507346649068
Energy: 0.08089140596362994
Energy: 0.16117507347140844
Energy: 0.08089140015195466
Energy: 0.16117507346944132
Energy: 0.33814583515506197
Energy: 0.0757936962167622
Energy: 0.3381458351442429
Energy: 0.07579369425493337
Energy: 0.3381458351968629
Energy: 0.07579369548826302
Energy: -0.2993617384874958
Energy: 0.2212951964331966
Energy: -0.31660060666303064
Energy: 0.2212951964253282
Energy: -0.31209412578680595
Energy: 0.22129519643565548
Energy: 0.25915821122441474
Energy: 0.08447209220719623
Energy: 0.25915821124851174
Energy: 0.08446431005072151
Energy: 0.25915821121802163
Energy: 0.08446026415762714

minimum gb energy = -0.31660060666303064 eV
minimum distance =  2.36092121143088 Angstroms
sigma value = 41


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

Energy: 0.6447271625154509
Energy: 0.8665593734182048
Energy: 0.644727162519479
Energy: 0.8665593734182048
Energy: 0.644727162519479
Energy: 0.8665593734182048
Energy: 0.4434376221866466
Energy: 0.42965413540053055
Energy: 0.44343762218798927
Energy: 0.42965413540187314
Energy: 0.44343762218798927
Energy: 0.42965413540053055
Energy: 0.4989317588754936
Energy: 0.4327258519900668
Energy: 0.4989317588714657
Energy: 0.4327258519900668
Energy: 0.4989317588768364
Energy: 0.4327258519900668
Energy: 0.32843676222450224
Energy: 0.7920113360402492
Energy: 0.32843676171049346
Energy: 0.7920113361865421
Energy: 0.3284367610837592
Energy: 0.7920113360214514
Energy: 0.7536176554413424
Energy: 0.6597158960292163
Energy: 0.7536176554467132
Energy: 0.6597158957943664
Energy: 0.7536176554426851
Energy: 0.6597158959983954
Energy: 0.47578790423911715
Energy: 0.46030805373480926
Energy: 0.47578790440017976
Energy: 0.4603080537442082
Energy: 0.4757879042042681
Energy: 0.46030805376294487
Energy: 0.30156868426676653
Energy: 0.8902341831955698
Energy: 0.30156868351918953
Energy: 0.8902341831969125
Energy: 0.3015686842023171
Energy: 0.8902341831969125
Energy: 0.3368088024969255
Energy: 0.5614177948074225
Energy: 0.3368088024995498
Energy: 0.561417794810108
Energy: 0.3368088024969255
Energy: 0.5614177948087652
Energy: 0.5989726192365982
Energy: 0.6623813322617852
Energy: 0.5989726192365982
Energy: 0.6623813322604426
Energy: 0.5989726192365982
Energy: 0.6623813322577572
Energy: 0.42708103896306054
Energy: 0.5473662995428599
Energy: 0.4270810389362066
Energy: 0.5473662995442026
Energy: 0.42708103897783023
Energy: 0.5473662995428599
Energy: 0.4412149592130426
Energy: 0.43014816571159187
Energy: 0.4412149592130426
Energy: 0.43014816571159187
Energy: 0.44121495921438536
Energy: 0.43014816571159187
Energy: 0.38966366514072565
Energy: 0.46253949740885597
Energy: 0.38966366514072565
Energy: 0.46253949740885597
Energy: 0.38966366514072565
Energy: 0.46253949740885597
Energy: 0.4861371796211827
Energy: 0.6253808140346603
Energy: 0.4861371796037276
Energy: 0.6253808140346603
Energy: 0.48613717961849723
Energy: 0.6253808140319749
Energy: 0.6968906733464765
Energy: 0.42124665674314743
Energy: 0.6968906733531899
Energy: 0.42124665674180467
Energy: 0.6968906733330495
Energy: 0.42124665674180467

minimum gb energy = 0.30156868351918953 eV
minimum distance =  2.34727133552513 Angstroms
sigma value = 11


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

Energy: 0.9977980017114021
Energy: 1.0263515143753446
Energy: 0.9977980011961199
Energy: 1.0263515143765243
Energy: 0.9977980013382186
Energy: 1.0263515143753446
Energy: 0.7218703176226503
Energy: 0.6071217459372774
Energy: 0.7218703176167518
Energy: 0.6071217465008998
Energy: 0.7218703176155721
Energy: 0.6071217458452887
Energy: 0.7667478966704541
Energy: 0.659310714229407
Energy: 0.7667478966716337
Energy: 0.6593107141068
Energy: 0.7667478966698642
Energy: 0.659310714000065
Energy: 0.7303018471126009
Energy: 0.8867476634731563
Energy: 0.7303018471090619
Energy: 0.8867476634607965
Energy: 0.7303018471137807
Energy: 0.8867476634731563
Energy: 0.8256053276448855
Energy: 0.7716904975841121
Energy: 0.8256053276896866
Energy: 0.7716904975841121
Energy: 0.8256053276501671
Energy: 0.771690497584702
Energy: 0.9100623758172856
Energy: 0.7655969827530592
Energy: 0.9100623755944319
Energy: 0.765596982715336
Energy: 0.9100623757760233
Energy: 0.7655969828190949
Energy: 0.7575056787461913
Energy: 0.9116430537326232
Energy: 0.7575056787426522
Energy: 0.9116430537314436
Energy: 0.7575056787385234
Energy: 0.9116430537332131
Energy: 0.7821314628232732
Energy: 0.5551293685909026
Energy: 0.782131462823863
Energy: 0.5551293688332211
Energy: 0.7821314628226833
Energy: 0.5551293685348943
Energy: 0.6727411148871147
Energy: 0.623827682298203
Energy: 0.6727411148882945
Energy: 0.6238276824910014
Energy: 0.6727411148882945
Energy: 0.623827682340055
Energy: 0.7388259771709136
Energy: 1.1164881029054625
Energy: 0.7388259771691441
Energy: 1.1164881029007439
Energy: 0.7388259771715034
Energy: 1.1164881029084117
Energy: 0.8159252163074521
Energy: 0.8554267617274786
Energy: 0.815925214693774
Energy: 0.8554267617274786
Energy: 0.8159252164683989
Energy: 0.8554267617274786
Energy: 0.687650393537564
Energy: 0.683433102254038
Energy: 0.6876503935393333
Energy: 0.6834331022510889
Energy: 0.6876503935363841
Energy: 0.6834331022499092
Energy: 0.7205867321726137
Energy: 0.826665745914877
Energy: 0.7205867325057411
Energy: 0.8266657459154669
Energy: 0.7205867329449601
Energy: 0.826665745914877
Energy: 0.8283743566093308
Energy: 0.8070051337107311
Energy: 0.8283743566435148
Energy: 0.8070051337213482
Energy: 0.8283743566228704
Energy: 0.8070051337066022
Energy: 0.7789381523082916
Energy: 0.7962784092771281
Energy: 0.7789381523094712
Energy: 0.7962784092175808
Energy: 0.7789381523077017
Energy: 0.7962784093042607
Energy: 0.7640071391836386
Energy: 0.9824703347596843
Energy: 0.7640071391966151
Energy: 0.9824703347602741
Energy: 0.764007139197205
Energy: 0.9824703347272695
Energy: 0.9089956826346809
Energy: 0.6541433010570883
Energy: 0.9089956826340909
Energy: 0.6541433010576782
Energy: 0.9089956826346809
Energy: 0.6541433010570883
Energy: 0.6878929565738789
Energy: 0.6755436372065882
Energy: 0.6878929565644416
Energy: 0.6755436372065882
Energy: 0.6878929565850861
Energy: 0.6755436372059983
Energy: 0.7177142941166084
Energy: 0.9677914188817529
Energy: 0.7177142941148389
Energy: 0.9677914188823428
Energy: 0.7177142941171982
Energy: 0.9677914188841122
Energy: 0.9137110784033714
Energy: 0.8690213757207529
Energy: 0.9137370276180633
Energy: 0.8690213757183936
Energy: 0.9137024196233208
Energy: 0.8690213757183936
Energy: 0.8318961285410146
Energy: 0.7406801986940729
Energy: 0.8318961285416044
Energy: 0.7406801986946627
Energy: 0.8318961285457332
Energy: 0.7406801986946627
Energy: 0.6988469323158355
Energy: 0.887788012245746
Energy: 0.6988469320652593
Energy: 0.8877880122439765
Energy: 0.6988469321937916
Energy: 0.887788012245746
Energy: 0.8432754239828928
Energy: 0.6518685546071521
Energy: 0.8432754239828928
Energy: 0.6518685547498406
Energy: 0.8432754239823029
Energy: 0.6518685550157259
Energy: 0.7398982724842411
Energy: 0.6952686166354718
Energy: 0.7398982724824715
Energy: 0.6952686166360618
Energy: 0.7398982724842411
Energy: 0.6952686166366516
Energy: 0.7645951303683169
Energy: 1.078394192407598
Energy: 0.7645951303689068
Energy: 1.078394192407008
Energy: 0.7645951303689068
Energy: 1.078394192407008
Energy: 0.9531670182228316
Energy: 0.7768481724358458
Energy: 0.9531670182228316
Energy: 0.7768481724334865
Energy: 0.9531670182228316
Energy: 0.7768481724293576
Energy: 0.6255221855615759
Energy: 0.8228572993423326
Energy: 0.6255221855515485
Energy: 0.8228572989726616
Energy: 0.6255221855698336
Energy: 0.8228572993824151
Energy: 0.615202336394106
Energy: 0.7418977681153576
Energy: 0.615202336394106
Energy: 0.741897768121256
Energy: 0.6152023363952858
Energy: 0.7418977681159474
Energy: 0.847091009048502
Energy: 0.6310950450255509
Energy: 0.8470910090496818
Energy: 0.6310950448610649
Energy: 0.8470910090496818
Energy: 0.631095044849858
Energy: 0.7186085360251849
Energy: 0.8254870994354764
Energy: 0.7186085360240052
Energy: 0.8254870994348865
Energy: 0.7186085360216458
Energy: 0.8254870994366562
Energy: 0.7625924411940731
Energy: 0.7980617102832168
Energy: 0.762592441194663
Energy: 0.7980617102891154
Energy: 0.7625924411940731
Energy: 0.7980617102873458

minimum gb energy = 0.5551293685348943 eV
minimum distance =  2.3069305593501 Angstroms
sigma value = 57


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

Energy: 1.0234855301855943
Energy: 0.9843203268859457
Energy: 1.0234855301855943
Energy: 0.9843203268859457
Energy: 1.0234855301855943
Energy: 0.9843203268848961
Energy: 1.125527039154634
Energy: 0.801952306062313
Energy: 1.1255270391567334
Energy: 0.801952306062313
Energy: 1.1255270391556838
Energy: 0.8019523060612633
Energy: 1.110011889053551
Energy: 0.8745766081948279
Energy: 1.1100118890546007
Energy: 0.8745766081948279
Energy: 1.1100118890546007
Energy: 0.8745766081948279
Energy: 0.8704332377110132
Energy: 0.8894587639592164
Energy: 0.8704332377120629
Energy: 0.8894587642687153
Energy: 0.8704332377110132
Energy: 0.8180671461917239
Energy: 1.1029927688597734
Energy: 0.8745515000973354
Energy: 1.1029927688597734
Energy: 0.874551500098385
Energy: 1.1029927688597734
Energy: 0.874551500098385
Energy: 1.132920705000778
Energy: 0.8188229653659111
Energy: 1.1329207050039267
Energy: 0.8188229653711594
Energy: 1.132920705000778
Energy: 0.8188229653669609
Energy: 1.0234855301855943
Energy: 0.9843203268859457
Energy: 1.0234855301855943
Energy: 0.9843203268859457
Energy: 1.0234855301855943
Energy: 0.9843203268869954
Energy: 1.1255270391525347
Energy: 0.801952306062313
Energy: 1.1255270391525347
Energy: 0.8019523060602137
Energy: 1.1255270391525347
Energy: 0.8019523060633627
Energy: 1.1100118890556503
Energy: 0.8745766081948279
Energy: 1.1100118890556503
Energy: 0.8745766081948279
Energy: 1.1100118890556503
Energy: 0.8745766081948279
Energy: 0.8704332377120629
Energy: 0.8293220198828642
Energy: 0.8704332377120629
Energy: 0.8293220198828642
Energy: 0.8704332377120629
Energy: 0.8096070617786858
Energy: 1.1029927688618726
Energy: 0.8745515000994345
Energy: 1.1029927688587238
Energy: 0.874551500098385
Energy: 1.1029927688629224
Energy: 0.874551500098385
Energy: 1.1329207050039267
Energy: 0.8188229653984499
Energy: 1.1329207050028771
Energy: 0.8188229653911023
Energy: 1.1329207050028771
Energy: 0.8188229654015987
Energy: 1.0234855301855943
Energy: 0.9843203268859457
Energy: 1.0234855301855943
Energy: 0.9843203268859457
Energy: 1.0234855301845447
Energy: 0.9843203268859457
Energy: 1.125527039154634
Energy: 0.801952306062313
Energy: 1.125527039154634
Energy: 0.8019523060612633
Energy: 1.125527039154634
Energy: 0.8019523060633627
Energy: 1.1100118890546007
Energy: 0.8745766081948279
Energy: 1.110011889053551
Energy: 0.8745766081958775
Energy: 1.110011889053551
Energy: 0.8745766081958775
Energy: 0.8704332377057652
Energy: 0.829322019883914
Energy: 0.8704332377057652
Energy: 0.829322019883914
Energy: 0.8704332377068149
Energy: 0.7991130717236619
Energy: 1.1029927688618726
Energy: 0.874551500098385
Energy: 1.1029927688618726
Energy: 0.874551500098385
Energy: 1.1029927688618726
Energy: 0.874551500098385

minimum gb energy = 0.7991130717236619 eV
minimum distance =  2.32680830734701 Angstroms
sigma value = 9


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

Energy: 0.9345819659385923
Energy: 1.1335865513885535
Energy: 0.9345820116156139
Energy: 1.1335865513765553
Energy: 0.934581969677004
Energy: 1.133586551369699
Energy: 1.029757879816282
Energy: 0.9606265874053861
Energy: 1.029757879815425
Energy: 0.960626587403672
Energy: 1.0297578798239952
Energy: 0.960626587403672
Energy: 0.9718231287358131
Energy: 0.9606371521601673
Energy: 0.9718231291718429
Energy: 0.9606371521601673
Energy: 0.971823128996231
Energy: 0.9606371521601673
Energy: 0.826018698939536
Energy: 1.1069251592138658
Energy: 0.826018698935251
Energy: 1.1069251592121516
Energy: 0.8260186989223955
Energy: 1.1069251592112945
Energy: 1.040130013272746
Energy: 0.9584604872462281
Energy: 1.040130013388405
Energy: 0.9584604872436572
Energy: 1.0401300132984568
Energy: 0.958460487245371
Energy: 0.9645251454653403
Energy: 0.9471508856780685
Energy: 0.9645251454644833
Energy: 0.9471508856583568
Energy: 0.9645251454636262
Energy: 0.9471508856549288
Energy: 0.8973735542922644
Energy: 1.138213204628278
Energy: 0.8973735542914075
Energy: 1.138213204629992
Energy: 0.8973735542914075
Energy: 1.1382132046291351
Energy: 0.919498448924648
Energy: 0.9339423993840282
Energy: 0.9194984489177919
Energy: 0.9339423993848853
Energy: 0.9194984489126498
Energy: 0.9339423993848853
Energy: 1.3026175938491225
Energy: 0.9620901882109276
Energy: 1.302617593873119
Energy: 0.9620901882109276
Energy: 1.30261759387569
Energy: 0.9620901882109276
Energy: 0.900617711069525
Energy: 0.969495817865296
Energy: 0.9006177111320877
Energy: 0.9694958214074885
Energy: 0.9006177110601368
Energy: 0.969495819623985
Energy: 1.0375545850218797
Energy: 1.0599013542908853
Energy: 1.0375545850227366
Energy: 1.0599013542891715
Energy: 1.0375545850227366
Energy: 1.0599013542891715
Energy: 1.1669887696336538
Energy: 1.0633385143478802
Energy: 1.166988769634511
Energy: 1.063338514348737
Energy: 1.1669887696499373
Energy: 1.0633385143641638
Energy: 0.9243906500852528
Energy: 0.9836622617427331
Energy: 0.9243906500843958
Energy: 0.983662261741876
Energy: 0.9243906500835389
Energy: 0.9836622617427331
Energy: 0.9772415795295564
Energy: 0.9867353431320892
Energy: 0.9772415795286995
Energy: 0.9867353428391433
Energy: 0.9772415795295564
Energy: 0.9867353428879546
Energy: 1.083621933771099
Energy: 0.8782735643223114
Energy: 1.0836219337693849
Energy: 0.8782735643300246
Energy: 1.083621933775384
Energy: 0.8782735643214544
Energy: 0.9305231887154547
Energy: 1.080771276564932
Energy: 0.9305231887257
Energy: 1.080771276561504
Energy: 0.9305231887197009
Energy: 1.080771276564932
Energy: 0.9282196478492699
Energy: 1.0759002609065456
Energy: 0.9282196478449847
Energy: 1.0759002609074024
Energy: 0.9282196478329864
Energy: 1.0759002609074024
Energy: 1.1463881508913694
Energy: 0.9342705666114542
Energy: 1.146388150886227
Energy: 0.9342705666123114
Energy: 1.1463881509016536
Energy: 0.9342705666097403
Energy: 0.9779351733932294
Energy: 0.9677299797371461
Energy: 0.9779351733940865
Energy: 0.9677299797397173
Energy: 0.9779351733923723
Energy: 0.9677299797362892
Energy: 0.9727943393499298
Energy: 0.9732316074653623
Energy: 0.9727943392471259
Energy: 0.9732316074662195
Energy: 0.9727943398887633
Energy: 0.9732316074670764
Energy: 1.1866223922744141
Energy: 1.0559850076002537
Energy: 1.186622392270129
Energy: 1.0559850076036816
Energy: 1.1866223922744141
Energy: 1.0559850076002537

minimum gb energy = 0.8260186989223955 eV
minimum distance =  2.32179893468201 Angstroms
sigma value = 27


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

Energy: 0.9719885141152249
Energy: 1.3410598345136517
Energy: 0.9719886769502084
Energy: 1.341059834514374
Energy: 0.9719885080634165
Energy: 1.3410598345150968
Energy: 1.078232303263776
Energy: 0.8739373896439698
Energy: 1.078232303261609
Energy: 0.8739373896439698
Energy: 1.078232303260164
Energy: 0.8739373896439698
Energy: 1.015806540386649
Energy: 1.1321388465651547
Energy: 1.015806540850205
Energy: 1.1321388465658775
Energy: 1.0158065407678833
Energy: 1.1321388465658775
Energy: 1.0501566306267722
Energy: 0.9794744364668938
Energy: 1.0501566306260497
Energy: 0.979474436444532
Energy: 1.0501566306260497
Energy: 0.9794744364871211
Energy: 1.03167801148551
Energy: 1.0817342243537185
Energy: 1.0316780115006807
Energy: 1.0817342243537185
Energy: 1.0316780114912891
Energy: 1.0817342243537185
Energy: 0.7949568338010758
Energy: 0.9885764544768908
Energy: 0.7949568338010758
Energy: 0.9885764542819062
Energy: 0.7949568338046878
Energy: 0.9885764544573858
Energy: 1.1256494177387635
Energy: 1.4360834604476505
Energy: 1.1256494177770182
Energy: 1.436083460448373
Energy: 1.1256494177488445
Energy: 1.436083460448373
Energy: 0.9696987803561036
Energy: 1.073657296879336
Energy: 0.9696987803517693
Energy: 1.0736572968778912
Energy: 0.9696987803496019
Energy: 1.0736572968786138
Energy: 1.150297366621907
Energy: 0.9647036844361332
Energy: 1.150297366614683
Energy: 0.9647036844361332
Energy: 1.1502973666204621
Energy: 0.9647036844354108
Energy: 1.3076932456840726
Energy: 0.9711126886517009
Energy: 1.3076932457627821
Energy: 0.971112688650256
Energy: 1.3076932456790158
Energy: 0.9711126886524232
Energy: 1.0869891345331533
Energy: 1.0399257124414556
Energy: 1.0869891345389326
Energy: 1.0399257130097608
Energy: 1.0869891345223173
Energy: 1.0399257115554552
Energy: 1.250236177657532
Energy: 1.177559983429102
Energy: 1.250236185909532
Energy: 1.177559983429824
Energy: 1.2502361843700478
Energy: 1.1775599834341588
Energy: 1.147501175227233
Energy: 0.8607256471403857
Energy: 1.1475011752294002
Energy: 0.8607256471360513
Energy: 1.147501175225788
Energy: 0.8607256471389408
Energy: 0.8696330719669217
Energy: 0.7979250922973
Energy: 0.8696330719690891
Energy: 0.7979250922973
Energy: 0.8696330719726681
Energy: 0.7979250922965775
Energy: 1.2398433116177088
Energy: 0.8718151435050034
Energy: 1.2398433116169865
Energy: 0.8718151475465475
Energy: 1.2398433116169865
Energy: 0.8718151426601803
Energy: 1.0896576573749404
Energy: 1.0542990620201744
Energy: 1.0896576573308736
Energy: 1.0542990620201744
Energy: 1.0896576573641044
Energy: 1.0542990620259538
Energy: 0.9246171765199519
Energy: 1.2089549252532061
Energy: 0.9246171764888882
Energy: 1.2089549252951057
Energy: 0.9246171768463161
Energy: 1.2089549252611527
Energy: 0.8275740624308712
Energy: 1.0193483345129528
Energy: 0.827574062520384
Energy: 1.0193483345115082
Energy: 0.8275740621687355
Energy: 1.01934833451512
Energy: 1.2116117683012206
Energy: 0.8404742632172199
Energy: 1.2116117683012206
Energy: 0.8404742626388337
Energy: 1.2116117683019432
Energy: 0.8404742630980881
Energy: 0.9719884543841728
Energy: 1.3410598345136517
Energy: 0.971988615130905
Energy: 1.341059834514374
Energy: 0.9719884727685023
Energy: 1.3410598345136517
Energy: 1.0782323032731347
Energy: 0.8739373896425249
Energy: 1.0782323032644987
Energy: 0.8739373896425249
Energy: 1.0782323032608863
Energy: 0.8739373896425249
Energy: 1.0158065395128966
Energy: 1.1321388465644326
Energy: 1.0158065401129548
Energy: 1.1321388465629878
Energy: 1.0158065390413942
Energy: 1.1321388465622653
Energy: 1.050156630628217
Energy: 0.9794744364676161
Energy: 1.0501566306253274
Energy: 0.9794744364423649
Energy: 1.0501566306289394
Energy: 0.979474436465449
Energy: 1.0316780115006807
Energy: 1.0817342243537185
Energy: 1.0316780114862323
Energy: 1.0817342243537185
Energy: 1.0316780115028477
Energy: 1.0817342243537185
Energy: 0.7949568338082998
Energy: 0.98857645463211
Energy: 0.7949568338039653
Energy: 0.988576454491306
Energy: 0.7949568338082998
Energy: 0.9885764546371669

minimum gb energy = 0.7949568338010758 eV
minimum distance =  2.31844251116944 Angstroms
sigma value = 19


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

Energy: 0.9946017787620565
Energy: 1.2200123951698307
Energy: 0.9946017787626801
Energy: 1.2200123832156005
Energy: 0.9946017787570679
Energy: 1.2200123894541923
Energy: 0.9180267991852786
Energy: 1.049715810742937
Energy: 0.9180267991753014
Energy: 1.0497158107454312
Energy: 0.9180267991871492
Energy: 1.0497158107435605
Energy: 0.9439981632707134
Energy: 0.9298104511019479
Energy: 0.9439981632757019
Energy: 0.9298104511044423
Energy: 0.9439981632844037
Energy: 0.9298104511013243
Energy: 1.0124295976555941
Energy: 0.8329008009779265
Energy: 1.012429597658712
Energy: 0.8329008009779265
Energy: 1.0124295976568412
Energy: 0.83290080097855
Energy: 0.8666978307079115
Energy: 0.9513410509516402
Energy: 0.8666978306119091
Energy: 0.9513410509528873
Energy: 0.8666978306187684
Energy: 0.9513410509528873
Energy: 0.8352104847283575
Energy: 0.9995033925496247
Energy: 0.8352104847271102
Energy: 0.9995033925234629
Energy: 0.8352104847283575
Energy: 0.9995033924972727
Energy: 0.9891858118828302
Energy: 1.1111297243250888
Energy: 0.9891858118828302
Energy: 1.1111297281110157
Energy: 0.9891858118828302
Energy: 1.1111297208813635
Energy: 0.9115640760931016
Energy: 1.1424342838372656
Energy: 0.9115640760476089
Energy: 1.1424342838322767
Energy: 0.9115640761934407
Energy: 1.1424342838378891
Energy: 1.1109347185359388
Energy: 0.8955145793903906
Energy: 1.1109347185371856
Energy: 0.8955145793860254
Energy: 1.1109347185346914
Energy: 0.8955145793891433
Energy: 0.8901200682439007
Energy: 0.9551523653957869
Energy: 0.8901200684757574
Energy: 0.9551523653970341
Energy: 0.8901200684633143
Energy: 0.9551523653970341
Energy: 1.0080430187679101
Energy: 1.2285102800266485
Energy: 1.0080430187672866
Energy: 1.2285102800266485
Energy: 1.0080430187816005
Energy: 1.228510280026025
Energy: 0.9406278452189709
Energy: 0.9087991273896007
Energy: 0.9406278452189709
Energy: 0.9087991273908477
Energy: 0.9406278452195944
Energy: 0.9087991273908477
Energy: 0.9090148912445676
Energy: 1.0036445322565322
Energy: 0.9090148912975432
Energy: 1.0036445322571557
Energy: 0.9090148912545447
Energy: 1.0036445322584029
Energy: 1.0270125948578093
Energy: 0.9570608274799083
Energy: 1.0270125948584328
Energy: 0.9570608283587534
Energy: 1.0270125948578093
Energy: 0.9570608267618609
Energy: 0.8917494969712475
Energy: 0.8793174487838874
Energy: 0.8917494974742749
Energy: 0.8793174487851344
Energy: 0.8917494971320734
Energy: 0.8793174487838874
Energy: 1.012964371537614
Energy: 0.8787975870766602
Energy: 1.012964371537614
Energy: 0.8787975871065635
Energy: 1.012964371537614
Energy: 0.878797587077879
Energy: 0.937371753399499
Energy: 0.7903708255490456
Energy: 0.9373717533938867
Energy: 0.790370861424889
Energy: 0.9373717533777022
Energy: 0.7903708183580551
Energy: 1.030933179138121
Energy: 0.8575786759766573
Energy: 1.0309331791374976
Energy: 0.8575786777056628
Energy: 1.030933179136874
Energy: 0.8575786759529616
Energy: 1.0093105976605983
Energy: 0.8860184719359302
Energy: 1.0093105975321985
Energy: 0.8860184678601825
Energy: 1.0093105972248892
Energy: 0.8860184696266025
Energy: 0.8875650622105551
Energy: 1.0515076408345396
Energy: 0.8875650622111787
Energy: 1.0515076408364104
Energy: 0.8875650622105551
Energy: 1.0515076408332924
Energy: 0.9085236865877646
Energy: 1.1047228919836833
Energy: 0.9085236865248119
Energy: 1.1047228919818126
Energy: 0.9085236865796581
Energy: 1.1047228919799417
Energy: 0.9756544273775869
Energy: 0.9415766069077189
Energy: 0.9756544273794575
Energy: 0.94157660689777
Energy: 0.9756544273775869
Energy: 0.9415766069058483
Energy: 0.9035761676793642
Energy: 0.9579656470448594
Energy: 0.903579184074547
Energy: 0.9579656470629432
Energy: 0.9035736899515869
Energy: 0.957965647089757
Energy: 1.1427159451976199
Energy: 1.0013500810722136
Energy: 1.1427159451957494
Energy: 1.0013500810977802
Energy: 1.1427159451994906
Energy: 1.0013500810734608
Energy: 1.0155132855410678
Energy: 0.9223441368988655
Energy: 1.0155132863463592
Energy: 0.9223441368994891
Energy: 1.0155132888139902
Energy: 0.9223441368988655
Energy: 0.9200017117293905
Energy: 0.9178113589969061
Energy: 0.9200017117293905
Energy: 0.9178113589969061
Energy: 0.9200017117293905
Energy: 0.9178113589969061
Energy: 0.9397065600314363
Energy: 1.074811979490712
Energy: 0.9397065600351777
Energy: 1.0748119794863757
Energy: 0.9397065600401663
Energy: 1.07481197948887
Energy: 0.8827107172906558
Energy: 0.9830991701080226
Energy: 0.8826842724488323
Energy: 0.9830991701080226
Energy: 0.882703868193833
Energy: 0.983099170106152
Energy: 0.9944473252626688
Energy: 0.9238392160869096
Energy: 0.9944473235878575
Energy: 0.9238392225093713
Energy: 0.9944473240728012
Energy: 0.923839216732027

minimum gb energy = 0.7903708183580551 eV
minimum distance =  2.30574832282477 Angstroms
sigma value = 101


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

Energy: 0.9909249440719728
Energy: 0.9990739434525537
Energy: 0.990924944072521
Energy: 0.9990739434492649
Energy: 0.9909249440719728
Energy: 0.9990739434514576
Energy: 0.9710992955586994
Energy: 0.9349581853682537
Energy: 0.9710992955597959
Energy: 0.934958185358935
Energy: 0.9710992955586994
Energy: 0.9349581853682537
Energy: 0.8021817893857506
Energy: 0.9682117859354047
Energy: 0.8021817893791727
Energy: 0.9682117859365008
Energy: 0.8021817893852025
Energy: 0.9682117859365008
Energy: 0.9106606849725621
Energy: 0.9244493871478597
Energy: 0.9106606849725621
Energy: 0.924449387148956
Energy: 0.9106606849725621
Energy: 0.9244493871473116
Energy: 0.8716947408030311
Energy: 0.8780142605957615
Energy: 0.8716947407997421
Energy: 0.8780142605952134
Energy: 0.8716947407975495
Energy: 0.8780142605957615
Energy: 0.9631449078151276
Energy: 0.9557051831218449
Energy: 0.9631449078162241
Energy: 0.9557051831218449
Energy: 0.9631449078134833
Energy: 0.9557051831229413
Energy: 0.8560276102823088
Energy: 0.9620290406364503
Energy: 0.8560276105031149
Energy: 0.9620290406320652
Energy: 0.8560276103655783
Energy: 0.9620290406342578
Energy: 0.9113658000094461
Energy: 0.8631557612724778
Energy: 0.9113658000094461
Energy: 0.8631557612587741
Energy: 0.9113658000088981
Energy: 0.8631557612774112
Energy: 0.8384395421924375
Energy: 1.0062720796728317
Energy: 0.8384395421951781
Energy: 1.006272079673928
Energy: 0.8384395421962746
Energy: 1.0062720796750244
Energy: 0.8624786848381149
Energy: 0.8350597661184422
Energy: 0.8624776503357757
Energy: 0.8350597685342053
Energy: 0.8624699529963272
Energy: 0.8350597709175774
Energy: 0.9459000312722672
Energy: 0.9808627523511878
Energy: 0.9459000312717191
Energy: 0.9808627523517359
Energy: 0.9459000312717191
Energy: 0.9808627523528322
Energy: 0.8132730543665933
Energy: 0.9455357812822741
Energy: 0.8132730543682377
Energy: 0.9455357812833705
Energy: 0.8132730543638523
Energy: 0.945535781281726
Energy: 0.8954631080296387
Energy: 0.9757708696228927
Energy: 0.895463108006068
Energy: 0.9757708696234408
Energy: 0.8954631080405518
Energy: 0.9757708696223445
Energy: 1.0302741162072602
Energy: 0.9973510527538947
Energy: 1.0302741162089046
Energy: 0.997351052758828
Energy: 1.0302741162078082
Energy: 0.997351052748413
Energy: 0.8470973473670018
Energy: 0.9868136926838559
Energy: 0.8470973473648092
Energy: 0.9868136926876929
Energy: 0.8470973473637129
Energy: 0.986813692684952
Energy: 0.8120756784678842
Energy: 1.0185373551352133
Energy: 0.8120756784684322
Energy: 1.0185373551352133
Energy: 0.8120756784684322
Energy: 1.0185373551352133
Energy: 0.9311240810864808
Energy: 1.005441792700074
Energy: 0.9311240810870292
Energy: 1.005441792699526
Energy: 0.9311240810870292
Energy: 1.005441792699526
Energy: 0.9056891977244798
Energy: 0.7636283951631088
Energy: 0.9056891977244798
Energy: 0.7636283951685903
Energy: 0.9056891977261242
Energy: 0.7636283951609161
Energy: 0.8062429467445532
Energy: 1.005913329771972
Energy: 0.8062429467440051
Energy: 1.005913329771972
Energy: 0.806242946740168
Energy: 1.0059133297708756
Energy: 0.8797284436004972
Energy: 0.91081566111611
Energy: 0.8797284436131046
Energy: 0.910815661116658
Energy: 0.8797284435528576
Energy: 0.9108156611144655
Energy: 0.9224134716816323
Energy: 0.9494437784963436
Energy: 0.9224134717062992
Energy: 0.9494437785034698
Energy: 0.9224134716882101
Energy: 0.9494437785100476
Energy: 1.2836439973760772
Energy: 1.0069304402321115
Energy: 1.2836439973821068
Energy: 1.0069304402332078
Energy: 1.2836439973733362
Energy: 1.0069304402321115
Energy: 1.0211896701882501
Energy: 0.8642210342488976
Energy: 1.0211896701833667
Energy: 0.8642210342604089
Energy: 1.0211896701882501
Energy: 0.8642210343184634
Energy: 0.9043059971683812
Energy: 0.7899822310766209
Energy: 0.9043059971683812
Energy: 0.7899822310750263
Energy: 0.9043059971672848
Energy: 0.78998223107393
Energy: 1.241262353952994
Energy: 0.8831939917735047
Energy: 1.2412623539540903
Energy: 0.883193991774601
Energy: 1.2412623539540903
Energy: 0.8831939917735047
Energy: 0.8002333582278389
Energy: 0.957024393749918
Energy: 0.8002333582042684
Energy: 0.9570243937510144
Energy: 0.8002333582009794
Energy: 0.9570243937504663
Energy: 0.8974261369732316
Energy: 1.018158624901578
Energy: 0.8974261369721351
Energy: 1.018158624901578
Energy: 0.8974261369732316
Energy: 1.0181586249037704
Energy: 0.8653137782512275
Energy: 0.872118075701474
Energy: 0.8653137782501312
Energy: 0.8721180757096963
Energy: 0.8653137782506793
Energy: 0.872118075704763
Energy: 1.2451392427560202
Energy: 0.9392119955252214
Energy: 1.2451392427560202
Energy: 0.939211995524673
Energy: 1.2451392427565684
Energy: 0.9392119955235769
Energy: 0.8771054277594854
Energy: 0.9342662344217927
Energy: 0.8771054277600334
Energy: 0.9342662344655952
Energy: 0.8771054277594854
Energy: 0.9342662343642365
Energy: 0.9199968199881544
Energy: 1.0118404163717383
Energy: 0.9199968199881544
Energy: 1.0118404163711903
Energy: 0.9199968199881544
Energy: 1.0118404163722863
Energy: 1.0555740247471936
Energy: 0.9704156990929222
Energy: 1.0555740247444527
Energy: 0.970415699088537
Energy: 1.0555740247504826
Energy: 0.9704156990923739
Energy: 1.2592633761369858
Energy: 0.9044557402924388
Energy: 1.2592633761353413
Energy: 0.9044557402924388
Energy: 1.2592633761430154
Energy: 0.9044557402907942

minimum gb energy = 0.7636283951609161 eV
minimum distance =  2.30919428821581 Angstroms
sigma value = 33


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

Energy: 0.019077717988910756
Energy: 0.0917633110285753
Energy: 0.019077717988910756
Energy: 0.09176331102811985
Energy: 0.019077717988910756
Energy: 0.09176331102811985
Energy: 0.056288998990549725
Energy: -0.7587038351010406
Energy: 0.056288998991005174
Energy: -0.758703810381916
Energy: 0.056288998991460615
Energy: -0.7587038429392166
Energy: 0.09723348093943608
Energy: -0.6797938840346471
Energy: 0.09723347902581592
Energy: -0.6797938840061567
Energy: 0.09723347392606756
Energy: -0.6797938837938189
Energy: 0.056288998990549725
Energy: -0.7587034258473472
Energy: 0.056288998991005174
Energy: -0.7587038324471735
Energy: 0.056288998991005174
Energy: -0.7587034065093844

minimum gb energy = -0.7587038429392166 eV
minimum distance =  2.46111850461282 Angstroms
sigma value = 1