Model name: model_name=SNAP_LiHuChen_2018_Cu__MO_529419924683_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6336620748043056
cohesive_energy=2.566513389751755
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-8.182364135137019e-34, 1.1506832585387998e-20, 7.56506149982316e-20, 1.500760455244434e-19, 2.1339230370582599e-19, 2.6238045646701e-19, 2.9880273788773197e-19, 3.2516975875347e-19, 3.43894397075028e-19, 3.57099536892456e-19, 3.6653475509008196e-19, 3.73553890923636e-19, 3.7912305690341993e-19, 3.83878317153132e-19, 3.8819137665185996e-19, 3.9224328135924595e-19, 3.9607889222104196e-19, 3.9966456352793395e-19, 4.02920186448222e-19, 4.05746426030598e-19, 4.0804554950038793e-19, 4.09737448025892e-19, 4.10801293310868e-19, 4.11168191760054e-19, 4.10745217128678e-19, 4.09320882101052e-19, 4.0664364494563795e-19, 4.0242030733841393e-19, 3.9631441218623995e-19, 3.8792701750725e-19, 3.76774265957976e-19, 3.62258545653936e-19, 3.43614016164078e-19, 3.19847327975322e-19, 2.8963988971788597e-19, 2.5125654409714796e-19, 2.02428608999364e-19, 1.402543823226966e-19, 6.11842417345188e-20, -3.89122241276214e-20, -1.64469840186636e-19, -3.17504945736414e-19, -4.95067773376098e-19, -7.039499498572139e-19, -9.590260830498179e-19, -1.278826947902754e-18, -1.6752358885103999e-18, -2.15005695576264e-18, -2.7731274269588996e-18, -3.70522572732108e-18, -5.4764800615070994e-18, -1.016430469669404e-17, -2.2350844697290196e-17, -5.79177240131196e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.53523501962818 eV

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

Energy: 0.009796526737193518
Energy: 0.010189134311879467
Energy: 0.010111088052470902
Energy: 0.009967204080884055
Energy: 0.5470977058107418
Energy: 0.010100043555423432
Energy: 0.010189134312172618
Energy: 0.1057111926834149
Energy: 0.10570348230765336
Energy: 0.10563779688021992
Energy: 0.10565789572735212
Energy: 0.10698404867118406
Energy: 0.010111088052470902
Energy: 0.10570348230765336
Energy: 0.1066929376827257
Energy: 0.010073042855494457
Energy: 0.10573049458328694
Energy: 0.10644742847089474
Energy: 0.009967204080884055
Energy: 0.10563779688021992
Energy: 0.010073042855494457
Energy: 0.010061603623767993
Energy: 0.10566006341979367
Energy: 0.010037132874158926
Energy: 0.5470977058107418
Energy: 0.10565789572735212
Energy: 0.10573049458328694
Energy: 0.10566006341979367
Energy: 0.1056078853249828
Energy: 0.10568320046179602
Energy: 0.010100043555423432
Energy: 0.10698404867118406
Energy: 0.10644742847089474
Energy: 0.010037132874158926
Energy: 0.10568320046179602
Energy: 0.01006741703953924

minimum gb energy = 0.009796526737193518 eV
minimum distance =  2.56678110954141 Angstroms
sigma value = 1


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

Energy: 1.3254754502038846
Energy: 0.711397901994061
Energy: 0.7114929867773195
Energy: 0.7115922475978413
Energy: 0.7766456445663257
Energy: 0.7111121626689765
Energy: 1.2248741293605807
Energy: 0.6790369562991118
Energy: 0.6794251214621291
Energy: 0.6786012143240482
Energy: 0.6726120607395673
Energy: 0.6810397741007209
Energy: 0.6923923798121094
Energy: 0.6705766241386921
Energy: 0.6719369466454341
Energy: 0.6931655537331691
Energy: 0.6705657282451418
Energy: 0.6731688846895143
Energy: 1.2771107860093363
Energy: 0.6697311471736125
Energy: 0.6749645507458075
Energy: 0.6677233195827803
Energy: 0.6693877788299342
Energy: 0.6755257369551727
Energy: 0.692932404776089
Energy: 0.6784534206091878
Energy: 0.6781134807553891
Energy: 0.6806951674289564
Energy: 0.6799397165223149
Energy: 0.6779948690922439
Energy: 1.1272561893877506
Energy: 0.6862274365445775
Energy: 0.686748527689902
Energy: 0.6962990999890659
Energy: 0.6863448984511444
Energy: 0.6867725399085235
Energy: 1.1278650051822707
Energy: 0.6863406667901563
Energy: 0.686183432401172
Energy: 0.6932369762532015
Energy: 0.6797915656641501
Energy: 0.6858723959346323
Energy: 1.091983876840865
Energy: 0.6894687782258289
Energy: 0.6883640658803531
Energy: 0.6765764456177754
Energy: 0.6952567868972691
Energy: 0.6864849524048183
Energy: 0.8747308518052908
Energy: 0.6959873275972372
Energy: 0.6880351665532065
Energy: 0.6927405957206918
Energy: 0.69385974738713
Energy: 0.6862667629446823
Energy: 0.8727009251486754
Energy: 0.6812986542563816
Energy: 0.6792936778067942
Energy: 0.6702080347368106
Energy: 0.6804523126929103
Energy: 0.6792575263366948
Energy: 1.023746604610466
Energy: 0.6764572699520237
Energy: 0.6759093473450618
Energy: 0.669685797398042
Energy: 0.6757429734811718
Energy: 0.6709705096815146
Energy: 0.7608644824826517
Energy: 0.679780966395506
Energy: 0.6822988144456252
Energy: 0.668499192158627
Energy: 0.6957189475108705
Energy: 0.6723405135240801
Energy: 0.7585852302536011
Energy: 0.6792459432020675
Energy: 0.6829743743233433
Energy: 0.6767142940010261
Energy: 0.6965137782237388
Energy: 0.6804914757237764
Energy: 0.8933616882834245
Energy: 0.6790322947818327
Energy: 0.6667171189838946
Energy: 0.6747225138430875
Energy: 0.6749310442310451
Energy: 0.6683565401306274
Energy: 0.7876405627393205
Energy: 0.680783600675483
Energy: 0.6793118771447924
Energy: 0.6698385569799324
Energy: 0.6775884002131608
Energy: 0.6789842681245764
Energy: 0.787978403368
Energy: 0.6939398623037241
Energy: 0.6766186812603272
Energy: 0.6776158724430166
Energy: 0.6916851715752016
Energy: 0.6766262279830262
Energy: 1.0543366191037198
Energy: 0.6842324161661637
Energy: 0.6842956007203639
Energy: 0.6762090755625711
Energy: 0.6915251702265808
Energy: 0.6772259400099545
Energy: 0.9907579315513153
Energy: 0.69389434715517
Energy: 0.6929200995668734
Energy: 0.6951746390023552
Energy: 0.6814795238856789
Energy: 0.6925081296972142
Energy: 0.9932497949488046
Energy: 0.6921225023599167
Energy: 0.6922588861854402
Energy: 0.6947818762784759
Energy: 0.6944836752238056
Energy: 0.6915515857738153
Energy: 0.6752605879819882
Energy: 0.6958206239941093
Energy: 0.6924368961848136
Energy: 0.6931973505052369
Energy: 0.6947149219125603
Energy: 0.6916786965573363
Energy: 1.1954846083422233
Energy: 0.6766874907187003
Energy: 0.6766551665343804
Energy: 0.6767289973602948
Energy: 0.6762447641303445
Energy: 0.6769684917514864
Energy: 1.197978810882429
Energy: 0.6779175042161047
Energy: 0.6764804557956599
Energy: 0.6899067622956141
Energy: 0.6741067417736301
Energy: 0.6766521759268773
Energy: 1.2253052137403053
Energy: 0.6791366973361508
Energy: 0.6799517501783652
Energy: 0.6700396988404543
Energy: 0.6710861679358683
Energy: 0.6808200772231248

minimum gb energy = 0.6667171189838946 eV
minimum distance =  2.41397889256683 Angstroms
sigma value = 33


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

Energy: 1.5295302697885411
Energy: 0.819225031704979
Energy: 0.7466006310606091
Energy: 0.744830010727484
Energy: 0.7062678087602755
Energy: 0.8147719899811461
Energy: 0.7950444776732061
Energy: 0.7006296949856176
Energy: 0.7124308109608628
Energy: 0.7112092173428659
Energy: 0.7099853268477021
Energy: 0.7145954262582555
Energy: 0.7770269228176976
Energy: 0.7180126580646683
Energy: 0.7121145851359962
Energy: 0.7680654890154816
Energy: 0.7080026208422031
Energy: 0.7846285580267531
Energy: 0.7793245089928216
Energy: 0.8326969235518351
Energy: 0.7186921940150379
Energy: 0.760659921320519
Energy: 0.7189616772875913
Energy: 0.7598496207928167
Energy: 0.8045996591934698
Energy: 0.71742256312429
Energy: 0.710951255964395
Energy: 0.7240127418693112
Energy: 0.708092873457501
Energy: 0.7142555088142223
Energy: 0.7943126465979519
Energy: 0.8328099939752162
Energy: 0.7225688430911631
Energy: 0.8565939381192607
Energy: 0.8386618777274661
Energy: 0.7954856023770145
Energy: 0.7737980277754422
Energy: 0.8378057255543413
Energy: 0.7774916124460415
Energy: 0.7806159943666798
Energy: 0.7760068266346597
Energy: 0.7817897144648269
Energy: 0.7921275993263819
Energy: 0.7633220983546315
Energy: 0.7642429324834589
Energy: 0.7711711642993935
Energy: 0.7642151320885177
Energy: 0.7646963259031351
Energy: 0.9023099961593636
Energy: 0.7640198121650014
Energy: 0.8484801190170759
Energy: 0.786420453392281
Energy: 0.7636977378789929
Energy: 0.7781916694772298
Energy: 0.9002397950865877
Energy: 0.8450732510957141
Energy: 0.7748912908614574
Energy: 0.781657740311634
Energy: 0.7757009536073475
Energy: 0.7714789862446383
Energy: 0.8034794052410125
Energy: 0.7224016401483754
Energy: 0.7219513480284059
Energy: 0.7725784686176608
Energy: 0.6885192519024335
Energy: 0.6879192333747093
Energy: 0.7980549844735786
Energy: 0.7407441992607072
Energy: 0.7708779532620321
Energy: 0.7725354824384747
Energy: 0.704821375427959
Energy: 0.7739298161535407
Energy: 0.796151500953263
Energy: 0.8456683531755604
Energy: 0.8454101722174223
Energy: 0.7681210322146931
Energy: 0.7812091577512142
Energy: 0.7735464665492614
Energy: 0.8087301865735875
Energy: 0.759977500894414
Energy: 0.76018470236666
Energy: 0.8147752201103208
Energy: 0.7617963498172589
Energy: 0.7606640869500468
Energy: 0.7963196384500475
Energy: 0.7719697790076083
Energy: 0.7718545639591126
Energy: 0.770639927233721
Energy: 0.774219542542439
Energy: 0.7716644638462712
Energy: 0.8056205144691697
Energy: 0.8295067386956794
Energy: 0.8293292666806696
Energy: 0.8319458025752858
Energy: 0.8467012198077271
Energy: 0.7783669587334586
Energy: 0.8343526612716272
Energy: 0.8412817698760654
Energy: 0.8418258825429932
Energy: 0.8373003875712925
Energy: 0.8438757590526106
Energy: 0.8361748421808918
Energy: 0.9159315852178619
Energy: 0.8442454769147008
Energy: 0.8438291606932323
Energy: 0.7635623562647542
Energy: 0.781905955788524
Energy: 0.7635040932291426
Energy: 0.9146947179353595
Energy: 0.8447671792148499
Energy: 0.8434413633120129
Energy: 0.7639134636349163
Energy: 0.8459070787747469
Energy: 0.8428351066998097
Energy: 0.8493209177903205
Energy: 0.8394003902133229
Energy: 0.8389170837065064
Energy: 0.8399809246376223
Energy: 0.8424953055274662
Energy: 0.8396167740174597
Energy: 0.687891888867417
Energy: 0.774547512280565
Energy: 0.6878044791337959
Energy: 0.6886214957585491
Energy: 0.7748532479549418
Energy: 0.6881704820001155
Energy: 0.729962362718831
Energy: 0.8287798547931123
Energy: 0.831906035485762
Energy: 0.7049306726708904
Energy: 0.832374344789542
Energy: 0.8282194257886055
Energy: 0.8291223826195634
Energy: 0.8324028554669397
Energy: 0.8420537898698576
Energy: 0.8395650295226225
Energy: 0.8334014801430696
Energy: 0.8406049957505375
Energy: 0.7534548095472552
Energy: 0.9148504200729987
Energy: 0.8159551873342351
Energy: 0.7653432807084727
Energy: 0.9138056473059957
Energy: 0.7912132646959901
Energy: 0.8458131854535721
Energy: 0.8372483844205515
Energy: 0.8393787783860654
Energy: 0.8349994245550777
Energy: 0.8354812695587848
Energy: 0.8382549705205417
Energy: 0.7920626633913104
Energy: 0.8361532461903377
Energy: 0.775875644339854
Energy: 0.7800652478158336
Energy: 0.8328403418640851
Energy: 0.8310020658408144
Energy: 0.7907705605634318
Energy: 0.7682131115813928
Energy: 0.7703154111367134
Energy: 0.8425548969730345
Energy: 0.7679284972778574
Energy: 0.8428607126711551
Energy: 0.9509925917791273
Energy: 0.7636724806340504
Energy: 0.763942738720606
Energy: 0.7838723989336034
Energy: 0.764009391287576
Energy: 0.7785504237874238
Energy: 0.900888451875021
Energy: 0.7636519440844075
Energy: 0.76356097912982
Energy: 0.7819117294649005
Energy: 0.7641452856390827
Energy: 0.7769585526691889
Energy: 0.8990590384289986
Energy: 0.7737452337203586
Energy: 0.7785604642517876
Energy: 0.7815869272877792
Energy: 0.8497320638848498
Energy: 0.7720199712386285
Energy: 0.7738206906339611
Energy: 0.6877156199552972
Energy: 0.6876831856528052
Energy: 0.7692020306670584
Energy: 0.7230231418093808
Energy: 0.7219588997234797
Energy: 0.797312421377193
Energy: 0.7047896669544804
Energy: 0.6924849077895223
Energy: 0.7709277404037884
Energy: 0.740177360884555
Energy: 0.7635905243514385
Energy: 0.7983362762648453
Energy: 0.7757525820993537
Energy: 0.7744763860467827
Energy: 0.7743294273281891
Energy: 0.7756076435270971
Energy: 0.77590325608559
Energy: 0.7823300587153476
Energy: 0.7631177704696315
Energy: 0.7601406987967811
Energy: 0.7840857039924578
Energy: 0.7702841392854685
Energy: 0.7606942566383438
Energy: 0.804284992686147
Energy: 0.7794024141812756
Energy: 0.7822118696715475
Energy: 0.7845809057942235
Energy: 0.7840340825655756
Energy: 0.8406351789701678
Energy: 0.8705239088487754
Energy: 0.7889687263979209
Energy: 0.7909890197808164
Energy: 0.7743864292622965
Energy: 0.8394302919023434
Energy: 0.8349406997501119
Energy: 0.809350876896445
Energy: 0.7231280677210037
Energy: 0.7136735129743595
Energy: 0.7032022364217647
Energy: 0.7131022517833664
Energy: 0.8494537329780539
Energy: 0.7644435639924411
Energy: 0.7776489180486491
Energy: 0.7133074806329079
Energy: 0.7639008031377322
Energy: 0.7147501234214994
Energy: 0.7187356075519384
Energy: 1.0295430035861475
Energy: 0.7292466694181133
Energy: 0.7131146570650649
Energy: 0.7634126903003782
Energy: 0.7201689806716207
Energy: 0.7641795614659511
Energy: 0.7155680572809786
Energy: 0.7244448584342255
Energy: 0.7118094899629653
Energy: 0.7117239180193697
Energy: 0.7159375100311167
Energy: 0.7132083443052596
Energy: 0.8061939705704784
Energy: 0.7101259510427762
Energy: 0.6874586878710186
Energy: 0.6879268283153971
Energy: 0.7055254543935094
Energy: 0.7597055621454657

minimum gb energy = 0.6874586878710186 eV
minimum distance =  2.34799930018304 Angstroms
sigma value = 51


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

Energy: 1.3571516973002915
Energy: 0.8437444333508087
Energy: 0.8433629434372683
Energy: 0.7542593697348514
Energy: 0.8002836557821873
Energy: 0.7544769775634056
Energy: 1.031645409863763
Energy: 0.7205105707424838
Energy: 0.7219652644160385
Energy: 0.7065755843526376
Energy: 0.7277815272837778
Energy: 0.7253229201823059
Energy: 1.1401437062184978
Energy: 0.7160891205717212
Energy: 0.7168144751981205
Energy: 0.7235862046495724
Energy: 0.7248465811236384
Energy: 0.7260141185622817
Energy: 1.1403639125356382
Energy: 0.7170264349187273
Energy: 0.7259756309017684
Energy: 0.7204763682184203
Energy: 0.7173199983822358
Energy: 0.720922470498507
Energy: 0.9549182813784651
Energy: 0.7069174636739316
Energy: 0.7110485023052824
Energy: 0.7208856674616768
Energy: 0.7174998086620437
Energy: 0.7112944348741926
Energy: 0.9559133119034572
Energy: 0.7053946900280191
Energy: 0.705810169169588
Energy: 0.704773725665236
Energy: 0.7050886270872712
Energy: 0.7064934710693532
Energy: 0.9561846890251753
Energy: 0.7140612972087216
Energy: 0.7148833248493861
Energy: 0.7047086096105938
Energy: 0.7140733255663332
Energy: 0.7075693445099077
Energy: 1.1035314860949486
Energy: 0.7215121593972709
Energy: 0.7219217831000239
Energy: 0.7257239364321411
Energy: 0.7210846335597777
Energy: 0.7205333104780474
Energy: 0.7730102169503413
Energy: 0.7214582009088197
Energy: 0.7209848430235518
Energy: 0.7268446834609393
Energy: 0.7162001409680787
Energy: 0.7180042977114671
Energy: 0.7727844624175999
Energy: 0.7209965757860751
Energy: 0.7200815164216523
Energy: 0.7254995590255234
Energy: 0.7149746006312448
Energy: 0.7254544388982735
Energy: 0.7971196359775181
Energy: 0.7235599259016061
Energy: 0.7236959265345377
Energy: 0.7264813477525619
Energy: 0.723094309854948
Energy: 0.7227074981184337
Energy: 0.8182532193059567
Energy: 0.7161705717832045
Energy: 0.7223520786731887
Energy: 0.7153662315548078
Energy: 0.7181291923221182
Energy: 0.7238765388337649
Energy: 0.8189448314697193
Energy: 0.7329729474925619
Energy: 0.7329222381788251
Energy: 0.7242229157844288
Energy: 0.7336933805917959
Energy: 0.7228657812086883
Energy: 0.8186626527277948
Energy: 0.722746221377846
Energy: 0.7226264374840529
Energy: 0.7449616761605009
Energy: 0.722809457034585
Energy: 0.7236532067093323
Energy: 1.0311486057737738
Energy: 0.7184090925196546
Energy: 0.7249673871916237
Energy: 0.727580051149898
Energy: 0.717832013487726
Energy: 0.7242961239091661
Energy: 1.0320960535551091
Energy: 0.7190489460659002
Energy: 0.7165631070203594
Energy: 0.7025218379550303
Energy: 0.7232597221434341
Energy: 0.699954811184582
Energy: 0.7402224152919121
Energy: 0.7241603454641837
Energy: 0.7170934223073987
Energy: 0.7191473282805528
Energy: 0.7231159408653466
Energy: 0.7246091801503872
Energy: 1.2476037385963368
Energy: 0.7112763917078848
Energy: 0.7170564547825669
Energy: 0.7202401644028885
Energy: 0.7144806582595964
Energy: 0.7164508776494334

minimum gb energy = 0.699954811184582 eV
minimum distance =  2.40568123990232 Angstroms
sigma value = 19


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

Energy: 1.1225989145962059
Energy: 0.7736807033654245
Energy: 0.7738811573298158
Energy: 0.765074403607359
Energy: 0.7197336042775129
Energy: 0.7671984171049387
Energy: 1.0702823542649516
Energy: 0.719338718014771
Energy: 0.719020881268058
Energy: 0.7196830986677105
Energy: 0.7194171276904069
Energy: 0.7205264507068823
Energy: 1.1306516077055142
Energy: 0.719163562825683
Energy: 0.7199298260973224
Energy: 0.7197088415691634
Energy: 0.7192309970278833
Energy: 0.7195061711554078
Energy: 0.8916842979893551
Energy: 0.7194342168157142
Energy: 0.7202732040671389
Energy: 0.7454113231181289
Energy: 0.7195239628986587
Energy: 0.7203481857094556
Energy: 0.8900864912464392
Energy: 0.7554764672984635
Energy: 0.7489527876907436
Energy: 0.7510136769174162
Energy: 0.7535401435614655
Energy: 0.7518402123330582
Energy: 0.8902644515799233
Energy: 0.7013086898831329
Energy: 0.7486108435016317
Energy: 0.7538352417172584
Energy: 0.7009152389972302
Energy: 0.7515470388990234
Energy: 0.8900406685016451
Energy: 0.750474411652459
Energy: 0.7490425613184261
Energy: 0.7539346696913486
Energy: 0.7499770137321247
Energy: 0.75155974057203
Energy: 0.8261752278485406
Energy: 0.701111257764958
Energy: 0.7019693164609948
Energy: 0.7197354544469622
Energy: 0.7013876610080059
Energy: 0.7019679478885211
Energy: 0.7191170309194838
Energy: 0.7019128016421435
Energy: 0.7016305879831678
Energy: 0.7193166228562898
Energy: 0.7032373458350236
Energy: 0.7009575261185343
Energy: 0.7193555776951465
Energy: 0.7194563305356318
Energy: 0.719867828253483
Energy: 0.719335347574326
Energy: 0.7192649138658204
Energy: 0.7195594014326965
Energy: 0.7193483451767129
Energy: 0.7458144048235695
Energy: 0.7460486030364907
Energy: 0.719176854653871
Energy: 0.7458365883715348
Energy: 0.7201186495669777
Energy: 0.8898279965215429
Energy: 0.7517562082911879
Energy: 0.751794561621307
Energy: 0.7190214887849464
Energy: 0.7514138378256863
Energy: 0.7203239358436908
Energy: 0.7026831004195475
Energy: 0.7525302952942929
Energy: 0.750446206868151
Energy: 0.7047748717804024
Energy: 0.7539188597571281
Energy: 0.753963563255283
Energy: 0.8898254812581273
Energy: 0.7536334767014524
Energy: 0.7532975003476532
Energy: 0.7488833867263737
Energy: 0.7514966663463142
Energy: 0.7540488916398664
Energy: 1.070155741730033
Energy: 0.7194710944251259
Energy: 0.7200551132690319
Energy: 0.7032366530410602
Energy: 0.7192551109828406
Energy: 0.7012697054987682
Energy: 1.0716767255362964
Energy: 0.7538535807964332
Energy: 0.7018911419050113
Energy: 0.7012095692135898
Energy: 0.7203260397865137
Energy: 0.7019542638867714
Energy: 1.1330877565707396
Energy: 0.7193797304299089
Energy: 0.7192897548325533
Energy: 0.7195988940322094
Energy: 0.7205726897394548
Energy: 0.7197824761709736
Energy: 0.8928892736111474
Energy: 0.7194791270294142
Energy: 0.7201806268906376
Energy: 0.7447808036474033
Energy: 0.7190194256039816
Energy: 0.720540639056579
Energy: 0.8925386436308336
Energy: 0.7194570075051102
Energy: 0.7200229643020974
Energy: 0.7442894476284164
Energy: 0.7191855775527862
Energy: 0.7200496994911432
Energy: 0.8899861460975174
Energy: 0.7010051505919248
Energy: 0.7488653735155453
Energy: 0.7514564423808594
Energy: 0.7010060300308373
Energy: 0.7532868851436983
Energy: 0.8897617477463098
Energy: 0.7485136162902107
Energy: 0.7512460758981573
Energy: 0.7522751720169568
Energy: 0.7538558688182835
Energy: 0.7538185381239785
Energy: 0.889845885485134
Energy: 0.7515820143000069
Energy: 0.7493283178706319
Energy: 0.7535907965138983
Energy: 0.7512410067491702
Energy: 0.7511229715768605
Energy: 0.8269304077885599
Energy: 0.7023577251073803
Energy: 0.7017521806168074
Energy: 0.7195333374134153
Energy: 0.7030181643000234
Energy: 0.7705150009354711
Energy: 0.7191864366758682
Energy: 0.7192772247991049
Energy: 0.7197754443062782
Energy: 0.7193497587846073
Energy: 0.7021461336671492
Energy: 0.7189301741530324
Energy: 0.7193002244985028
Energy: 0.7193144242450038
Energy: 0.7193823401667838
Energy: 0.7193573599281747
Energy: 0.7196372370882343
Energy: 0.7198787549094926
Energy: 0.8270449669076078
Energy: 0.7447243271331009
Energy: 0.7451046199940456
Energy: 0.7193838112467007
Energy: 0.7453389634028864
Energy: 0.7199322210251188
Energy: 0.8900778764240223
Energy: 0.7504981538261465
Energy: 0.7514140475893919
Energy: 0.7535668014939597
Energy: 0.7505655655897263
Energy: 0.7496959082931848
Energy: 0.7007648442104064
Energy: 0.7525392618734729
Energy: 0.7526963952531813
Energy: 0.7008779242074294
Energy: 0.753540531277585
Energy: 0.7493303462914119
Energy: 0.8898384669289302
Energy: 0.7523802788888563
Energy: 0.7526910728370068
Energy: 0.7058908357679459
Energy: 0.7538229272355212
Energy: 0.7502917083968008
Energy: 1.070418155454391
Energy: 0.7214526135792168
Energy: 0.7022644935062974
Energy: 0.7012563956089047
Energy: 0.7197390593642781
Energy: 0.701724135016792

minimum gb energy = 0.7007648442104064 eV
minimum distance =  2.40911250476941 Angstroms
sigma value = 27


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

Energy: 0.9569534244004154
Energy: 0.6543984400952411
Energy: 0.6541883339982144
Energy: 0.6608524246032971
Energy: 0.6705515800422824
Energy: 0.654206421207287
Energy: 0.7744717434847612
Energy: 0.6713128771185394
Energy: 0.6710983527634733
Energy: 0.6672370988853524
Energy: 0.6735750365314391
Energy: 0.6708018601237427
Energy: 0.8157704107090367
Energy: 0.6712436456166271
Energy: 0.6717626005113361
Energy: 0.6722488151848369
Energy: 0.6702430962116798
Energy: 0.6714846968006186
Energy: 1.072790931924609
Energy: 0.6705727537592666
Energy: 0.671313269281162
Energy: 0.6722872244095222
Energy: 0.6709503975956917
Energy: 0.6721992466742054
Energy: 0.8877280480326264
Energy: 0.6559215030204426
Energy: 0.6743400392568111
Energy: 0.6715629288656995
Energy: 0.6545329313590966
Energy: 0.6738527137769695
Energy: 0.7312358783979355
Energy: 0.6560171235115746
Energy: 0.6557129212089443
Energy: 0.7145448096367505
Energy: 0.6560218748232849
Energy: 0.6504126029088441
Energy: 0.7301345268404587
Energy: 0.6687140362359706
Energy: 0.67547753107536
Energy: 0.714669760258846
Energy: 0.6696081012582442
Energy: 0.674164613711313
Energy: 0.774785286545054
Energy: 0.654566456482805
Energy: 0.6552805275990053
Energy: 0.7608826903143142
Energy: 0.6608534521817683
Energy: 0.661753394349297
Energy: 0.8156140180278493
Energy: 0.6628202842897107
Energy: 0.6665957180737152
Energy: 0.6707912389186422
Energy: 0.6631171224447768
Energy: 0.6674872953994766
Energy: 0.6837868133053573
Energy: 0.6642940251399062
Energy: 0.6706963516221719
Energy: 0.668147058405573
Energy: 0.665098620243401
Energy: 0.6704793412480903
Energy: 0.8167592734927962
Energy: 0.6707273809242551
Energy: 0.6697132457566051
Energy: 0.6707487285501171
Energy: 0.6720845706822134
Energy: 0.6672279207967217
Energy: 0.7744717508739085
Energy: 0.6692124652019854
Energy: 0.6692811489501485
Energy: 0.6677642501829756
Energy: 0.6704479416133113
Energy: 0.6691683632490306

minimum gb energy = 0.6504126029088441 eV
minimum distance =  2.42881334017253 Angstroms
sigma value = 9


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

Energy: 1.3711736517945246
Energy: 0.7289818985509864
Energy: 0.6325754659574814
Energy: 0.5680026113318649
Energy: 0.8156480818501071
Energy: 0.5666809137390664
Energy: 0.6319107613653744
Energy: 0.5916643876303164
Energy: 0.5874500430297426
Energy: 0.5904553304725025
Energy: 0.5908239529206427
Energy: 0.5722675540319975
Energy: 0.5975171742519905
Energy: 0.6050668875229691
Energy: 0.6053848046070469
Energy: 0.5964807063285612
Energy: 0.6023812582345737
Energy: 0.6037163481971364
Energy: 0.9387013092957261
Energy: 0.604076081146897
Energy: 0.5934820304995185
Energy: 0.5901455332117708
Energy: 0.6026789079896125
Energy: 0.5718202078026888
Energy: 0.6613542849072209
Energy: 0.6049459012308683
Energy: 0.6047447419277246
Energy: 0.6045438225812427
Energy: 0.6043564403424535
Energy: 0.5889218198838747
Energy: 0.6912847786328565
Energy: 0.5668154495351311
Energy: 0.5948022804823614
Energy: 0.5972411927307695
Energy: 0.5668273399945217
Energy: 0.566889363232356
Energy: 0.6589848416955786
Energy: 0.6031913962619754
Energy: 0.6020436001493533
Energy: 0.6211766515596521
Energy: 0.5974622183009551
Energy: 0.6056846282661918
Energy: 0.6763639913913585
Energy: 0.5683883978260238
Energy: 0.5882808494143394
Energy: 0.5914004805718475
Energy: 0.568069067102089
Energy: 0.5893604479935987
Energy: 0.9890676397846316
Energy: 0.6099844624391983
Energy: 0.6099760618425061
Energy: 0.6012740306488259
Energy: 0.6082627135920297
Energy: 0.6045777221105549
Energy: 1.090903160738279
Energy: 0.6026205148408097
Energy: 0.6015421197902213
Energy: 0.6065202397468854
Energy: 0.6015590859784349
Energy: 0.568587526636708
Energy: 0.6313536208974537
Energy: 0.6022498460776855
Energy: 0.6030776120552344
Energy: 0.6002772128515457
Energy: 0.6033096249637374
Energy: 0.6045777881374156
Energy: 0.6188746884139484
Energy: 0.6082972570926335
Energy: 0.6002437602201898
Energy: 0.603267876230686
Energy: 0.609712804087354
Energy: 0.5926748526670944
Energy: 0.9232090263540873
Energy: 0.5947158814111756
Energy: 0.5907456921862999
Energy: 0.5874642687663011
Energy: 0.6074995293675799
Energy: 0.5846855320439578
Energy: 0.6189494928236231
Energy: 0.6013497966221928
Energy: 0.5894223091982632
Energy: 0.615401189046254
Energy: 0.6084091281105174
Energy: 0.6079746740952569
Energy: 0.6486235357278882
Energy: 0.5701020177964696
Energy: 0.5694597847605863
Energy: 0.598931345037777
Energy: 0.567754382747102
Energy: 0.5968336577283038
Energy: 0.6490954379904418
Energy: 0.5886119379891211
Energy: 0.5870714057587076
Energy: 0.5989248308212984
Energy: 0.5888263430940126
Energy: 0.5981743720798995
Energy: 0.6478453119069784
Energy: 0.5888367404060221
Energy: 0.5892393124531068
Energy: 0.6102739350385383
Energy: 0.6015169535327142
Energy: 0.574537759066259
Energy: 0.7015803112011927
Energy: 0.592819577956142
Energy: 0.577612691820224
Energy: 0.5971290386656155
Energy: 0.5928218357023085
Energy: 0.577056738918118
Energy: 0.7083077188717337
Energy: 0.5886376077532421
Energy: 0.5877744099384137
Energy: 0.5987654616870682
Energy: 0.5896740859707791
Energy: 0.5713319883960998
Energy: 0.7089867336121557
Energy: 0.5857297257903876
Energy: 0.579860239274926
Energy: 0.588730339547146
Energy: 0.5858125955064992
Energy: 0.5688557043264696
Energy: 0.7077093615648617
Energy: 0.5800098044529376
Energy: 0.5709757918997193
Energy: 0.5892584254022889
Energy: 0.583268409597087
Energy: 0.5702424945086518
Energy: 0.7576858176877306
Energy: 0.5886925366047743
Energy: 0.590000294574462
Energy: 0.6032213185955486
Energy: 0.5766350090765465
Energy: 0.5712146855880886
Energy: 0.9566006836627007
Energy: 0.5765387376308296
Energy: 0.5871434479792157
Energy: 0.6014325310929475
Energy: 0.6020065509368835
Energy: 0.5931846429248075
Energy: 0.5984808702639631
Energy: 0.5992165594237301
Energy: 0.5971166828042367
Energy: 0.5897961100535107
Energy: 0.5986542137337001
Energy: 0.5879414809879234
Energy: 0.9381716093028555
Energy: 0.5978281394587938
Energy: 0.5947667003073493
Energy: 0.5944438743942825
Energy: 0.6090909842243918
Energy: 0.5935795944507598
Energy: 0.5979518057471919
Energy: 0.606602862859357
Energy: 0.6069935474940428
Energy: 0.608306550425916
Energy: 0.6042752596331149
Energy: 0.6072156649931281
Energy: 0.6146958659920521
Energy: 0.5998771780987011
Energy: 0.5994056629343226
Energy: 0.5996255343415083
Energy: 0.6062646265616497
Energy: 0.5690812212794304
Energy: 0.6576729358663914
Energy: 0.6066860197140331
Energy: 0.607647629783321
Energy: 0.6194385763102372
Energy: 0.603793668548466
Energy: 0.5920925523792802
Energy: 0.6580561317182114
Energy: 0.6079918294746516
Energy: 0.6072978541713083
Energy: 0.6063149887065256
Energy: 0.6081894508071868
Energy: 0.6044631651878185
Energy: 0.6373427323382936
Energy: 0.5685275029217045
Energy: 0.6077804972401668
Energy: 0.6079814139671577
Energy: 0.5683446478470199
Energy: 0.5909107430658165
Energy: 0.6313241666302368
Energy: 0.6020992450277887
Energy: 0.6047311196959086
Energy: 0.5682972692158877
Energy: 0.60080414508879
Energy: 0.6042836429819645
Energy: 1.0916833737507097
Energy: 0.5893085345245856
Energy: 0.5893554925690673
Energy: 0.6061349508258254
Energy: 0.589558272815448
Energy: 0.5683108529313652
Energy: 0.8118863584080508
Energy: 0.6107374247017883
Energy: 0.608377316235975
Energy: 0.5976197858994913
Energy: 0.6093864253951982
Energy: 0.6036313664935913
Energy: 0.9265834483803649
Energy: 0.5831412705789365
Energy: 0.5955866083835089
Energy: 0.6103737733371294
Energy: 0.6013906372167594
Energy: 0.5840973136014845
Energy: 0.8142000672788343
Energy: 0.5732520819827727
Energy: 0.5921579083266829
Energy: 0.6073044917119174
Energy: 0.5963790242792065
Energy: 0.5987611063352157
Energy: 0.7053989513096977
Energy: 0.5692881373069786
Energy: 0.5905611108016797
Energy: 0.6030315386262591
Energy: 0.5680456006799661
Energy: 0.5912899590676159
Energy: 0.6490646431173916
Energy: 0.591943138934995
Energy: 0.5898125618397321
Energy: 0.6019996841834766
Energy: 0.5908668510773882
Energy: 0.5902922205396999
Energy: 0.6478029743560078
Energy: 0.5894267946023904
Energy: 0.5891966815123729
Energy: 0.60875029457281
Energy: 0.5901185325411588
Energy: 0.5731001364861166
Energy: 1.1190765904495656
Energy: 0.590511181914652
Energy: 0.5891906708911658
Energy: 0.6033505854764276
Energy: 0.5916153366721657
Energy: 0.5697525611138471
Energy: 0.7093469407861727
Energy: 0.5898293413569272
Energy: 0.5892272298734735
Energy: 0.5970327398873131
Energy: 0.5904941903152661
Energy: 0.5896981212734312
Energy: 0.7074456958727319
Energy: 0.5705893908429248
Energy: 0.5687503773730249
Energy: 0.5904306677926887
Energy: 0.5707666352075319
Energy: 0.5702822299040432
Energy: 0.7079215454621235
Energy: 0.5827505687281653
Energy: 0.5797476682263242
Energy: 0.5857927657768247
Energy: 0.5860281922737255
Energy: 0.5710270935731555
Energy: 0.9551865330732967
Energy: 0.5736639340189343
Energy: 0.5921840593226618
Energy: 0.6010573678149805
Energy: 0.5928618268693213
Energy: 0.5934780788227222

minimum gb energy = 0.5666809137390664 eV
minimum distance =  2.42706956370833 Angstroms
sigma value = 57


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

Energy: 0.3598364634396032
Energy: 0.29618534339886754
Energy: 0.29711617838180115
Energy: 0.296903971752698
Energy: 0.313838555181757
Energy: 0.295968707383018
Energy: 0.3606365002133869
Energy: 0.30658239310658686
Energy: 0.30526699465184126
Energy: 0.3088600137204148
Energy: 0.3084700235069235
Energy: 0.304821009883536
Energy: 0.44039872480957015
Energy: 0.307510695585686
Energy: 0.3051837073790342
Energy: 0.310043668592826
Energy: 0.3096087796148829
Energy: 0.30409011900155763
Energy: 0.4407278247061697
Energy: 0.3075916064271415
Energy: 0.30581225881889884
Energy: 0.3104341715363872
Energy: 0.3098723926120102
Energy: 0.3051837321300799
Energy: 0.43578861246609707
Energy: 0.2971852022224014
Energy: 0.29714516287640313
Energy: 0.31018633281475816
Energy: 0.29652955262374603
Energy: 0.30580136390812984
Energy: 0.4024197322405745
Energy: 0.29595583443225904
Energy: 0.2971977149447258
Energy: 0.3094047635018369
Energy: 0.2966808309815852
Energy: 0.2961165801321681
Energy: 0.3966970889400348
Energy: 0.3066998298645872
Energy: 0.30513560290585257
Energy: 0.3091926517142828
Energy: 0.3084163751324766
Energy: 0.30463436641069314
Energy: 0.40248238282296084
Energy: 0.30786751003834434
Energy: 0.3056018788879719
Energy: 0.31006259528819813
Energy: 0.3099850833371687
Energy: 0.30562412900684266
Energy: 0.4352434261230865
Energy: 0.3071410968881482
Energy: 0.3052346554702416
Energy: 0.3099870731060427
Energy: 0.30877741528149716
Energy: 0.305305755978189
Energy: 0.36053873414675475
Energy: 0.3076084174086679
Energy: 0.29729699110185115
Energy: 0.29736711202878474
Energy: 0.3091811756668738
Energy: 0.2965560918368
Energy: 0.36058391736449824
Energy: 0.30717963523916786
Energy: 0.3057132867347619
Energy: 0.29664122924446296
Energy: 0.30892145713279556
Energy: 0.2967587349212701
Energy: 0.4370837649412522
Energy: 0.3070059720146308
Energy: 0.3051648072686307
Energy: 0.3084952364247953
Energy: 0.3091551908692068
Energy: 0.30421461792576193
Energy: 0.4401417491166598
Energy: 0.30744978053968963
Energy: 0.3046467350738213
Energy: 0.30866918107136143
Energy: 0.30894358290095003
Energy: 0.30313592462264954
Energy: 0.43599970960405104
Energy: 0.30748001175290407
Energy: 0.3059470711550271
Energy: 0.30937977438344694
Energy: 0.3092681669888369
Energy: 0.3053490399852042
Energy: 0.4400759366173525
Energy: 0.2959406862257937
Energy: 0.29679308238105395
Energy: 0.31102011648313677
Energy: 0.2966032688954998
Energy: 0.2959987805324953
Energy: 0.39931610803134354
Energy: 0.3064877734870016
Energy: 0.3051755017873358
Energy: 0.3098877647844187
Energy: 0.296617602624914
Energy: 0.3048781456796123
Energy: 0.4019474926887151
Energy: 0.3064482266759996
Energy: 0.30437832249706825
Energy: 0.3104062415711467
Energy: 0.3084772022482063
Energy: 0.3045173344357589
Energy: 0.43979256006849626
Energy: 0.3080219792469779
Energy: 0.3056102261332685
Energy: 0.31056172817796673
Energy: 0.3099224322663586
Energy: 0.30532989149805506
Energy: 0.36054174583961063
Energy: 0.3075176960672431
Energy: 0.30602012012063257
Energy: 0.29643657812694596
Energy: 0.3091718796988903
Energy: 0.30566212180566366

minimum gb energy = 0.2959406862257937 eV
minimum distance =  2.46829976394329 Angstroms
sigma value = 11


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

Energy: 1.272780063900036
Energy: 0.7625425370493252
Energy: 0.47739804867734337
Energy: 0.4851490854378941
Energy: 0.8338352966845356
Energy: 0.5772255262686268
Energy: 0.5535499554461859
Energy: 0.4713754862486987
Energy: 0.46915377539644215
Energy: 0.4661625188555045
Energy: 0.46740577956211066
Energy: 0.46866719487659353
Energy: 0.5429789762670969
Energy: 0.46613110402775726
Energy: 0.46657097735288927
Energy: 0.4671286703906025
Energy: 0.4660923472427619
Energy: 0.4667292260568701
Energy: 0.5423631676364493
Energy: 0.4670296363808712
Energy: 0.46931368357177894
Energy: 0.4676336577137855
Energy: 0.4672637707640427
Energy: 0.4691416986275572
Energy: 0.5375559972935157
Energy: 0.5646406859996107
Energy: 0.5144201850867207
Energy: 0.46759666526169325
Energy: 0.5166502200638244
Energy: 0.46693967404092307
Energy: 0.5230170274309023
Energy: 0.5153558512856382
Energy: 0.5165454724359021
Energy: 0.4665691938374025
Energy: 0.46994758853739427
Energy: 0.5604008895234927
Energy: 0.740651320681139
Energy: 0.46847526624787167
Energy: 0.4699502658192807
Energy: 0.46719012861001985
Energy: 0.4672370294052604
Energy: 0.46971193630850666
Energy: 0.5536126988297329
Energy: 0.468372447495455
Energy: 0.46807069778423815
Energy: 0.4691972546457721
Energy: 0.4680003845709012
Energy: 0.47837277988465016
Energy: 0.5835234793964931
Energy: 0.4697534143382248
Energy: 0.4694468421826256
Energy: 0.4669574819964975
Energy: 0.4669257999542414
Energy: 0.4691483989659053
Energy: 1.0042829766834878
Energy: 0.517392904736461
Energy: 0.5162690512299491
Energy: 0.46922769930743224
Energy: 0.5161163308344423
Energy: 0.5185490439124179
Energy: 1.0924584126003405
Energy: 0.5164635817567611
Energy: 0.5154334460645744
Energy: 0.5137524642296663
Energy: 0.5143930853641873
Energy: 0.5143779978091059
Energy: 0.5835203071028748
Energy: 0.46646222267331405
Energy: 0.4710916238484317
Energy: 0.4672358025325342
Energy: 0.46635074166252266
Energy: 0.47069569846531206
Energy: 0.7139461860541982
Energy: 0.4661538367074562
Energy: 0.46613961774867335
Energy: 0.4669684925672436
Energy: 0.46657335591621824
Energy: 0.470874873361546
Energy: 0.7127738780927463
Energy: 0.5620762358587343
Energy: 0.561934491215924
Energy: 0.5601785135454266
Energy: 0.561080229024308
Energy: 0.561368627253434
Energy: 0.713317982372177
Energy: 0.6115484789562082
Energy: 0.6110448763702917
Energy: 0.46737157919219485
Energy: 0.6121777409764211
Energy: 0.614743486908156
Energy: 0.8251655083504031
Energy: 0.5629353258267132
Energy: 0.5621546547473131
Energy: 0.5600679074009273
Energy: 0.5608577604153624
Energy: 0.5621364080724734
Energy: 0.9111294602692744
Energy: 0.5174483409184704
Energy: 0.4707265269944578
Energy: 0.7389118688633487
Energy: 0.5172541925407639
Energy: 0.47088469072830147
Energy: 1.0712185671391259
Energy: 0.5630200304610107
Energy: 0.5624708633487696
Energy: 0.4673057809405124
Energy: 0.5145003189445565
Energy: 0.562127616176016
Energy: 0.998143885591381
Energy: 0.4685659366696753
Energy: 0.5193797612871978
Energy: 0.4698245963240616
Energy: 0.4687929849868315
Energy: 0.5182798857768869
Energy: 0.7386037319836064
Energy: 0.4783595796419615
Energy: 0.47985283074381113
Energy: 0.6039744735869292
Energy: 0.4737046345257362
Energy: 0.46914757028316856
Energy: 0.8194713169671026
Energy: 0.5168442708754049
Energy: 0.5145652916208028
Energy: 0.5130209363716339
Energy: 0.5606642067163381
Energy: 0.5138580238198955
Energy: 0.5260267527643944
Energy: 0.4692739979164759
Energy: 0.46935453047837067
Energy: 0.6217894427503224
Energy: 0.46825464759521734
Energy: 0.4675128285849159
Energy: 0.6079177399722612
Energy: 0.5142239983774478
Energy: 0.5153965946837417
Energy: 0.523181552983435
Energy: 0.5132666684064703
Energy: 0.5144561403789735
Energy: 0.6095291949451851
Energy: 0.46719954108489703
Energy: 0.4671146533432292
Energy: 0.4666808796654749
Energy: 0.46738500354391793
Energy: 0.4672301464224851
Energy: 0.5403113417079587
Energy: 0.4706018684735128
Energy: 0.47102345373826465
Energy: 0.4672407345305995
Energy: 0.4668967172492327
Energy: 0.4714182118533282
Energy: 0.510905440975905
Energy: 0.4689839562977367
Energy: 0.4676258918519998
Energy: 0.5574119071761643
Energy: 0.4663388017065156
Energy: 0.4675101139901328

minimum gb energy = 0.4660923472427619 eV
minimum distance =  2.42762749420559 Angstroms
sigma value = 41


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

Energy: 1.187529236920271
Energy: 0.9572341562363026
Energy: 0.9571162763666722
Energy: 0.9227673841271995
Energy: 0.6331651507033875
Energy: 0.9227515333334625
Energy: 0.6006210108075574
Energy: 0.5021804115598062
Energy: 0.5019087043131322
Energy: 0.5019857278112217
Energy: 0.5028483195302277
Energy: 0.5017330984145575
Energy: 0.5764266707859811
Energy: 0.5041460213330802
Energy: 0.5030475014642057
Energy: 0.5031133152573988
Energy: 0.5036539859709203
Energy: 0.5013959663037324
Energy: 0.5783343446100258
Energy: 0.5024477758093967
Energy: 0.5023042993985035
Energy: 0.5026295428712957
Energy: 0.5023160588517209
Energy: 0.5016759957397555
Energy: 0.5748560563869154
Energy: 0.502600266079017
Energy: 0.5842423306441643
Energy: 0.5010824555803971
Energy: 0.5032392857332624
Energy: 0.5017946556775102
Energy: 0.5658475914151447
Energy: 0.5057306003196614
Energy: 0.5055719059937263
Energy: 0.5008553911095037
Energy: 0.5047645311881717
Energy: 0.5044107266815052
Energy: 0.6419229356003809
Energy: 0.5011279446194086
Energy: 0.5006744087644522
Energy: 0.5023662002336334
Energy: 0.501922922581595
Energy: 0.5007222318191049
Energy: 0.6011554601658912
Energy: 0.5033079633564459
Energy: 0.5028884939284551
Energy: 0.5023572018974427
Energy: 0.5031704201818649
Energy: 0.5017124130976737
Energy: 0.8803840762839469
Energy: 0.5022889310996814
Energy: 0.503314339226094
Energy: 0.5022215570076368
Energy: 0.5017782656787045
Energy: 0.5034697508158291
Energy: 0.8720898099639501
Energy: 0.5044526017442398
Energy: 0.5826248040996251
Energy: 0.7183740614561442
Energy: 0.5031185000236919
Energy: 0.5009862311812207
Energy: 0.8855516893525237
Energy: 0.5025373732030217
Energy: 0.50281512236151
Energy: 0.5050561804370218
Energy: 0.5022480436137855
Energy: 0.5010997590076819
Energy: 0.880494594569351
Energy: 0.5037646239959077
Energy: 0.5037807044223421
Energy: 0.5025024545200769
Energy: 0.5052010137645541
Energy: 0.5030198159448404
Energy: 0.6616274713901154
Energy: 0.5013734681891209
Energy: 0.5032900534855516
Energy: 0.5028200399877264
Energy: 0.5021623097214652
Energy: 0.5053401819798251
Energy: 0.667488714309325
Energy: 0.5022135647373213
Energy: 0.5019547078607365
Energy: 0.5009150150405024
Energy: 0.502565977727466
Energy: 0.5021611158972555
Energy: 0.74899487713821
Energy: 0.7174983824701737
Energy: 0.7166059678360291
Energy: 0.7225732507820646
Energy: 0.7166265561150087
Energy: 0.71682989550121
Energy: 0.5755508084005669
Energy: 0.5011608773238528
Energy: 0.5009879901885624
Energy: 0.5014891767861028
Energy: 0.5016165910577073
Energy: 0.5011129612261256
Energy: 1.1433902647900867
Energy: 0.5028673062952896
Energy: 0.5045182294984478
Energy: 0.9235694641126407
Energy: 0.5009236313456542
Energy: 0.9232984856214839
Energy: 0.6003475810850153
Energy: 0.500803979436028
Energy: 0.501421732868856
Energy: 0.582676792699567
Energy: 0.5012443468479301
Energy: 0.5022075223324153
Energy: 0.5781012086106101
Energy: 0.5018543474127379
Energy: 0.501083200296261
Energy: 0.5032257373134987
Energy: 0.5026236355893925
Energy: 0.5009790123847871
Energy: 0.5760072638338347
Energy: 0.504477196323267
Energy: 0.502629668182051
Energy: 0.5038555346571771
Energy: 0.5028729548585338
Energy: 0.5023768142376378
Energy: 0.5751604764627825
Energy: 0.5012654932776286
Energy: 0.5014299816097993
Energy: 0.5027651007829395
Energy: 0.501575804074615
Energy: 0.5031478877599403
Energy: 1.0421318928943941
Energy: 0.7200257627004261
Energy: 0.7202079373380837
Energy: 0.623641315510764
Energy: 0.7199227132489306
Energy: 0.7207719650482342
Energy: 0.5705355020787798
Energy: 0.5023567603697633
Energy: 0.5021401442943628
Energy: 0.50081950765483
Energy: 0.5012951011294184
Energy: 0.5048980168025936
Energy: 0.6009262831663242
Energy: 0.5143740930529325
Energy: 0.5115735632246236
Energy: 0.5065075133923546
Energy: 0.5151461169154111
Energy: 0.5024893016551769
Energy: 0.5659401273876289
Energy: 0.5016903886327493
Energy: 0.502963699911412
Energy: 0.5017839942428596
Energy: 0.5015886785038084
Energy: 0.5017418241857721
Energy: 0.8791451318637973
Energy: 0.5026952319736946
Energy: 0.5027668447218607
Energy: 0.503985563139103
Energy: 0.502445744079063
Energy: 0.5046193016788985
Energy: 0.8720921508711345
Energy: 0.49929923899877254
Energy: 0.5017334770971199
Energy: 0.5067524989568398
Energy: 0.5034517682404773
Energy: 0.5012997992975653
Energy: 0.5613039574963563
Energy: 0.5026158795677984
Energy: 0.5013965004629484
Energy: 0.5013930942521737
Energy: 0.5026899438028891
Energy: 0.5030585665261337
Energy: 0.6632376748481461
Energy: 0.9244195749255134
Energy: 0.9242044911212787
Energy: 0.5024020490531949
Energy: 0.7195721634949415
Energy: 0.9241815977784739
Energy: 0.6669139124977466
Energy: 0.501244627684977
Energy: 0.5016790563541861
Energy: 0.5029139969804038
Energy: 0.5026712844313889
Energy: 0.5017181271577756
Energy: 0.6641104862556624
Energy: 0.5018593214882615
Energy: 0.5012146356838919
Energy: 0.5020017292369298
Energy: 0.5032231796863901
Energy: 0.501438322817683
Energy: 0.5764418702533397
Energy: 0.502567536134711
Energy: 0.5017568785412287
Energy: 0.5033376917646276
Energy: 0.5031880126384191
Energy: 0.5016481636852866
Energy: 1.1582851074637865
Energy: 0.5019477370913235
Energy: 0.5838526884133806
Energy: 0.508399677075912
Energy: 0.5009369754731717
Energy: 0.5026131783554683

minimum gb energy = 0.49929923899877254 eV
minimum distance =  2.42490383143615 Angstroms
sigma value = 33


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

Energy: 0.7059638246263732
Energy: 1.1305767363719323
Energy: 1.13569705969103
Energy: 0.5669338120049046
Energy: 1.436002427672461
Energy: 1.1287380167708174
Energy: 0.6564650715520813
Energy: 0.5480357316513766
Energy: 0.5468121458030218
Energy: 0.546050869501812
Energy: 0.545535920942352
Energy: 0.5462566556977694
Energy: 0.6227767145318406
Energy: 0.5456964958132277
Energy: 0.5445544922303495
Energy: 0.5485025771673607
Energy: 0.547856998204075
Energy: 0.5443752644368961
Energy: 0.6313170075023145
Energy: 0.5485242836288079
Energy: 0.5481065410931836
Energy: 0.5464525957864524
Energy: 0.5471311732812563
Energy: 0.54676283421078
Energy: 0.6193981180861519
Energy: 0.5497080105029776
Energy: 0.5498846994156807
Energy: 0.5462593623988414
Energy: 0.5483808850792545
Energy: 0.5483006917746287
Energy: 0.6561698716757145
Energy: 0.8459983447023142
Energy: 0.8459772790550627
Energy: 0.5462977000286937
Energy: 0.8453812237686715
Energy: 0.8461009872603552
Energy: 0.6538915099651426
Energy: 0.5452223744864036
Energy: 0.5537608600358082
Energy: 0.5458582865500001
Energy: 0.5456059674373344
Energy: 0.5532278857096339
Energy: 0.651772902707671
Energy: 0.5623727849318905
Energy: 0.5627247774021243
Energy: 0.5473151715095654
Energy: 0.5641168649489067
Energy: 0.5647813596058527
Energy: 0.6585782232449353
Energy: 0.547984707820497
Energy: 0.5470214756367692
Energy: 0.546337686979761
Energy: 0.5483180874927793
Energy: 0.5484173976662904
Energy: 0.6123409604636401
Energy: 0.545748265132295
Energy: 0.5456179049965451
Energy: 0.5482620212072964
Energy: 0.5494971878845216
Energy: 0.5455086225845924
Energy: 0.6122460328352375
Energy: 0.5456895721748499
Energy: 0.5485224406000024
Energy: 0.5474758862305462
Energy: 0.546668615974746
Energy: 0.5477894207467334
Energy: 0.6543392518383774
Energy: 0.5599474913294565
Energy: 0.5599692285958436
Energy: 0.5447771161659831
Energy: 0.5480279699668363
Energy: 0.5484596730745115
Energy: 0.6192637227557124
Energy: 0.5430268932435179
Energy: 0.5449530317908076
Energy: 0.5453700508700629
Energy: 0.5442147878867105
Energy: 0.5486478380510155
Energy: 0.6256513236012493
Energy: 0.5457548357261334
Energy: 0.5548064585788036
Energy: 0.5452842121154774
Energy: 0.5460655447167629
Energy: 0.5545577894253341
Energy: 0.601218472525412
Energy: 0.5488609405493102
Energy: 0.5880094647616335
Energy: 0.5485994794101295
Energy: 0.550265447504511
Energy: 0.5867324401444652
Energy: 0.623053343601833
Energy: 0.5481451155321875
Energy: 0.5509336900224955
Energy: 0.5446972117162562
Energy: 0.5452941781531427
Energy: 0.5503640841702283
Energy: 1.0326313377662801
Energy: 0.5475918575201225
Energy: 0.8469827910148817
Energy: 0.8456246851532927
Energy: 0.5456806556280988
Energy: 0.846637843193637
Energy: 0.6150793696712737
Energy: 0.5491242669687859
Energy: 0.5480691810334799
Energy: 0.5479865591437789
Energy: 0.5452214603239178
Energy: 0.5492380206959213
Energy: 0.6290643357491492
Energy: 0.5477578483417236
Energy: 0.5485545528744658
Energy: 0.5458487778795006
Energy: 0.5481593230629522
Energy: 0.5458422131862405
Energy: 0.5867440447666006
Energy: 0.5478759023948893
Energy: 0.5471303259463506
Energy: 0.546276297685185
Energy: 0.5479344126443051
Energy: 0.5476839486434285
Energy: 0.5867774087568172
Energy: 0.5485534261416715
Energy: 0.5478473259278562
Energy: 0.5443189961642787
Energy: 0.5478103072679379
Energy: 0.5483637569899591
Energy: 0.869118131029784
Energy: 0.8427998425968101
Energy: 0.8429479286311624
Energy: 0.8442349055320026
Energy: 0.844265242945345
Energy: 0.8434270968140322
Energy: 0.62232523724931
Energy: 0.5488493521887279
Energy: 0.5501403576573526
Energy: 0.5480930270036793
Energy: 0.5455988478476678
Energy: 0.5467119323524192
Energy: 0.6576834208943261
Energy: 0.8426363998403781
Energy: 1.1294865828172778
Energy: 1.1292650986647568
Energy: 0.8428296510535647
Energy: 1.129148909216559
Energy: 0.656371849828767
Energy: 0.5458530344854055
Energy: 0.5467641189883508
Energy: 0.5468708729445044
Energy: 0.546096278397384
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Energy: 0.5471374579770408
Energy: 0.5460141318667365
Energy: 0.5463805117605239
Energy: 0.5478251826677234
Energy: 0.5458632002527548
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Energy: 0.5476157340235466
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Energy: 0.5483914697704335
Energy: 0.5471886140190229
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Energy: 0.8461875345934111
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Energy: 0.6577641181775273
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Energy: 0.5474648192752554
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Energy: 0.5450608704541677
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Energy: 0.6085767791765766
Energy: 0.5482535350423905
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Energy: 0.5505530905753631
Energy: 0.5884680582349131
Energy: 0.6238295174174996
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Energy: 1.032328839494285
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Energy: 0.5518311029546463
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Energy: 0.5452309601336908
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Energy: 0.6127510628316205
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Energy: 0.5492785381924074
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Energy: 0.5455468358455332
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Energy: 0.6264071355549787
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Energy: 0.5471077456404569
Energy: 0.5467894406188308
Energy: 0.5474150019010594
Energy: 0.8709829605980527
Energy: 0.8586274514384127
Energy: 0.8486190299366514
Energy: 0.5547089390118728
Energy: 0.844580886702337
Energy: 0.848942497978892
Energy: 0.6228316656713067
Energy: 0.5508686725101862
Energy: 0.550319758023228
Energy: 0.5459417998841872
Energy: 0.5453616321666381
Energy: 0.5523781200607926
Energy: 0.5726384530458404
Energy: 0.5463261467303983
Energy: 0.5475164943452485
Energy: 0.5467171575894102
Energy: 0.5458513114970793
Energy: 0.5466758355606627

minimum gb energy = 0.5430268932435179 eV
minimum distance =  2.42345913823299 Angstroms
sigma value = 67


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

Energy: 0.9739615861488883
Energy: 0.6251515518371952
Energy: 0.6244291707771549
Energy: 0.6243026198186196
Energy: 0.6105167435926467
Energy: 0.624283036950408
Energy: 0.700711546418842
Energy: 0.5877931819925309
Energy: 0.5877853422374
Energy: 0.5876234692646504
Energy: 0.5880078690884638
Energy: 0.5876721659625039
Energy: 0.6532573081167983
Energy: 0.5780379202433222
Energy: 0.5848798725766085
Energy: 0.5833952676143394
Energy: 0.5802992533967029
Energy: 0.5846765289516034
Energy: 0.6526091867616637
Energy: 0.5835107241369022
Energy: 0.5879242713413793
Energy: 0.5901506337779238
Energy: 0.5848158989262924
Energy: 0.5888585989200589
Energy: 0.6514701811194019
Energy: 0.5917533752806448
Energy: 0.5919540166928261
Energy: 0.5920103985303731
Energy: 0.5912726809396035
Energy: 0.5906134601938391
Energy: 0.6522627037823143
Energy: 0.5931976921093779
Energy: 0.5944288826038504
Energy: 0.5937994237354122
Energy: 0.5940389363302453
Energy: 0.5954623212021469
Energy: 0.7005805071484154
Energy: 0.5880727860667532
Energy: 0.5880287241183368
Energy: 0.5788581980472758
Energy: 0.5884606362293519
Energy: 0.5882116706094563

minimum gb energy = 0.5780379202433222 eV
minimum distance =  2.44453198283958 Angstroms
sigma value = 3


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

Energy: 0.9385611327272831
Energy: 0.6484764940672217
Energy: 0.9739029824477334
Energy: 0.722663071096567
Energy: 1.091275509294251
Energy: 0.9683116639331117
Energy: 0.6848148961272325
Energy: 0.6637926808132955
Energy: 0.6898688037143842
Energy: 0.6765800236822723
Energy: 0.6658601360326523
Energy: 0.692853651052328
Energy: 0.7164933238289614
Energy: 0.6625792470746211
Energy: 0.6631803922131254
Energy: 0.6974333964117968
Energy: 0.6615713454243844
Energy: 0.6839904272094975
Energy: 0.7024347402883242
Energy: 0.6792390294049986
Energy: 0.6794516568268474
Energy: 0.6914638575055964
Energy: 0.6569058474633193
Energy: 0.6847735474589842
Energy: 0.6892637507143239
Energy: 0.6452365313971336
Energy: 0.6409665259206234
Energy: 0.6397354577777485
Energy: 0.644829247742116
Energy: 0.6519998690026243
Energy: 0.6713738067636664
Energy: 0.6468754952533216
Energy: 0.646353796833066
Energy: 0.6431033046067428
Energy: 0.6453723804288842
Energy: 0.6420421839529589
Energy: 0.6758967719746969
Energy: 0.6370790235831089
Energy: 0.6432087648625276
Energy: 0.6439555488043561
Energy: 0.6361980987100094
Energy: 0.6414832612492124
Energy: 0.7868090833469567
Energy: 0.6894812360216304
Energy: 0.7636562900074233
Energy: 0.6949212356805614
Energy: 0.6906547037336628
Energy: 0.7574660974895829
Energy: 0.6787177691682854
Energy: 0.6479835797562664
Energy: 0.6478274155193374
Energy: 0.6467313796040128
Energy: 0.6490789119546017
Energy: 0.6626848680862812
Energy: 0.6696474936433955
Energy: 0.7067941138317623
Energy: 0.711684955891011
Energy: 0.6398705964519232
Energy: 0.7061770359033663
Energy: 0.6604667824202085
Energy: 0.7297487663281595
Energy: 0.6470772438810033
Energy: 0.6605424456724901
Energy: 0.6274370103310336
Energy: 0.6272575167469083
Energy: 0.6573921960487626
Energy: 0.7205804906519211
Energy: 0.6405098677949398
Energy: 0.6425975277590198
Energy: 0.6436369478510957
Energy: 0.6396327635298305
Energy: 0.6428204346607836
Energy: 0.6906829660814544
Energy: 0.6393548886264044
Energy: 0.6383522491737137
Energy: 0.6331605616884016
Energy: 0.6405032339969953
Energy: 0.6403315604237575
Energy: 0.7476515425969528
Energy: 0.689946904536847
Energy: 0.6890772613563793
Energy: 0.6886770613764536
Energy: 0.6934309848213838
Energy: 0.6890616506197204
Energy: 0.7208587085087965
Energy: 0.7024056798397481
Energy: 0.6916264570404208
Energy: 0.6443748963147875
Energy: 0.7060068447752593
Energy: 0.6893514019723256
Energy: 0.7431966623604905
Energy: 0.6771869462934458
Energy: 0.6786684923908856
Energy: 0.6647070670722189
Energy: 0.6786014200041111
Energy: 0.6738962611695476
Energy: 0.7960963671374787
Energy: 0.7559800450992368
Energy: 0.7554810230066041
Energy: 0.7367028208499249
Energy: 0.6887965663299206
Energy: 0.6708200485829612
Energy: 0.8079431925729593
Energy: 0.6651305453008791
Energy: 0.6685087490941993
Energy: 0.6591711532995026
Energy: 0.6627280212799626
Energy: 0.6849172360918641
Energy: 0.8110353600086155
Energy: 0.6898239482261609
Energy: 0.689898337351535
Energy: 0.7016374466544804
Energy: 0.6930915881795169
Energy: 0.7049258533687792
Energy: 0.7499566364395863
Energy: 0.6876572608787699
Energy: 0.6829295589097059
Energy: 0.7018915031632574
Energy: 0.6952972605243447
Energy: 0.706402849153148
Energy: 0.6764469977708526
Energy: 0.6241396084833154
Energy: 0.6351019470112514
Energy: 0.6227266051385196
Energy: 0.6233336324263445
Energy: 0.6348797655168601
Energy: 0.6774974387583289
Energy: 0.6241064460247364
Energy: 0.6280079158300922
Energy: 0.627379696267852
Energy: 0.6230720800095629
Energy: 0.6279000226084587
Energy: 0.684429673820762
Energy: 0.6291937501715071
Energy: 0.6274589513821893
Energy: 0.6221299898626897
Energy: 0.622344059117107
Energy: 0.6274973340667269
Energy: 0.7762180224946709
Energy: 0.69045907035106
Energy: 0.6906556595037835
Energy: 0.7665027583641953
Energy: 0.6907923148400088
Energy: 0.6905311996277295
Energy: 0.7045313045421585
Energy: 0.6772415865039028
Energy: 0.6779514705348987
Energy: 0.6846312645891917
Energy: 0.6621714609102287
Energy: 0.6857005921452263
Energy: 0.8166734648216468
Energy: 0.6384032711538239
Energy: 0.6228658694304484
Energy: 0.6631575056536203
Energy: 0.6443551816375446
Energy: 0.6573740356102076
Energy: 0.7086683648573234
Energy: 0.6637454118924444
Energy: 0.6212567530132218
Energy: 0.6628285100363117
Energy: 0.6767106851602127
Energy: 0.6577234506951182
Energy: 0.7059961621360253
Energy: 0.6769560594377406
Energy: 0.6780607619345124
Energy: 0.6862741491256886
Energy: 0.6786379589139394
Energy: 0.6792811612317158
Energy: 0.7120250427893554
Energy: 0.668519183248053
Energy: 0.6682341149031082
Energy: 0.7022069751498429
Energy: 0.6679652191462028
Energy: 0.6897228012357834
Energy: 0.6942746217513823
Energy: 0.6736887988354598
Energy: 0.6725612224103804
Energy: 0.679317277661759
Energy: 0.6732966286482389
Energy: 0.6724338651725627
Energy: 0.6715380605352174
Energy: 0.6406710864532256
Energy: 0.639597212041784
Energy: 0.6433572870882518
Energy: 0.6405939024364656
Energy: 0.6397741361900546
Energy: 0.6853825949408069
Energy: 0.6394358701241553
Energy: 0.6377309399184994
Energy: 0.6395418542907932
Energy: 0.6431674690694892
Energy: 0.6487741958635426
Energy: 0.7859675493473753
Energy: 0.66759180990294
Energy: 0.6696600846601205
Energy: 0.6850605015209793
Energy: 0.6625703937706056
Energy: 0.6844261492329405
Energy: 0.7747876156892369
Energy: 0.6391350046328922
Energy: 0.6399376408012319
Energy: 0.6804163269522032
Energy: 0.6393598139463674
Energy: 0.6399642286210071
Energy: 0.6726550776686958
Energy: 0.6589785884484881
Energy: 0.6574502066726471
Energy: 0.6391828630145354
Energy: 0.6591818149959997
Energy: 0.6396239107342192
Energy: 0.7596180578439827
Energy: 0.7067066139922442
Energy: 0.7099667586008135
Energy: 0.6432159088694253
Energy: 0.706055806549152
Energy: 0.6594627591446929
Energy: 0.720719817481684
Energy: 0.6472256204062591
Energy: 0.6458860117394872
Energy: 0.6400353216895932
Energy: 0.649058705949904
Energy: 0.6461307260075266
Energy: 0.690047508668441
Energy: 0.694794833374353
Energy: 0.7022513786815013
Energy: 0.6280364282529473
Energy: 0.6399882663428677
Energy: 0.6967185048532396
Energy: 0.6778182388963271
Energy: 0.6413498938730139
Energy: 0.6440967775631162
Energy: 0.6771425555296506
Energy: 0.6383005615250824
Energy: 0.673365886838087
Energy: 0.7214010227835939
Energy: 0.6935725222416266
Energy: 0.6923115431353136
Energy: 0.6507871958851245
Energy: 0.6994537045107732
Energy: 0.6859381945221044
Energy: 0.7819038978579693
Energy: 0.6853998184785078
Energy: 0.6817102033761713
Energy: 0.6792552124590723
Energy: 0.6874858822418773
Energy: 0.6785662220212938
Energy: 0.8042597552031369
Energy: 0.6677302782614856
Energy: 0.7235849699943306
Energy: 0.6429087155923204
Energy: 0.6832595535959874
Energy: 0.6411654531877387
Energy: 0.8042656072595473
Energy: 0.6852248480615037
Energy: 0.6852063505418386
Energy: 0.6502514637339616
Energy: 0.6846549598893981
Energy: 0.6673553562956002
Energy: 0.7717075030064304
Energy: 0.6806581703042688
Energy: 0.6821449120347445
Energy: 0.6665579929274758
Energy: 0.6816805697944771
Energy: 0.6784885303714467
Energy: 0.8658723703797033
Energy: 0.7654910202441169
Energy: 0.7187023650161419
Energy: 0.6810537947697344
Energy: 0.7669861790128635
Energy: 0.7189102657801875
Energy: 0.6865385142776688
Energy: 0.6743908646625126
Energy: 0.6731017184094386
Energy: 0.6250910544925681
Energy: 0.6779466612815108
Energy: 0.6286163584365771
Energy: 0.677338407703378
Energy: 0.6264039836866342
Energy: 0.6261360459054486
Energy: 0.6325042759428371
Energy: 0.6308755461167421
Energy: 0.6254187570835062
Energy: 0.6759697155934663
Energy: 0.6249127745049526
Energy: 0.623322820278172
Energy: 0.6235516082314538
Energy: 0.6244789820153507
Energy: 0.62315465199099
Energy: 0.770993246345673
Energy: 0.6812432213264311
Energy: 0.680730212109498
Energy: 0.6912756156180829
Energy: 0.6809934314562213
Energy: 0.6808798090419006
Energy: 0.7139133338741147
Energy: 0.6822140383475765
Energy: 0.6827468785769384
Energy: 0.6964100857611226
Energy: 0.6816270055393915
Energy: 0.6849446183920358
Energy: 0.6833085455245629
Energy: 0.6424470492372913
Energy: 0.6780701059957446
Energy: 0.6573359577558189
Energy: 0.6422658600953485
Energy: 0.6810727739300421

minimum gb energy = 0.6212567530132218 eV
minimum distance =  2.37209036083434 Angstroms
sigma value = 81


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

Energy: 1.2980608605537889
Energy: 0.7530375720396296
Energy: 0.7006939446325043
Energy: 0.706717510940049
Energy: 0.9895527888456414
Energy: 0.7578012566354778
Energy: 0.6556235484590888
Energy: 0.6103050752290322
Energy: 0.6095114425537048
Energy: 0.6258694567705229
Energy: 0.6106516200676613
Energy: 0.6093896138188758
Energy: 0.7198374131255136
Energy: 0.6189433974617872
Energy: 0.619538545674202
Energy: 0.6270923719968564
Energy: 0.6247364603346729
Energy: 0.6296111011075854
Energy: 0.7253555983015842
Energy: 0.6191753578025411
Energy: 0.7189687650794181
Energy: 0.6314528105779124
Energy: 0.6195458040170578
Energy: 0.6324723434700545
Energy: 0.7491638643090421
Energy: 0.7106973602741516
Energy: 0.7136472917577567
Energy: 0.7161485384401014
Energy: 0.7075206725711163
Energy: 0.7105267241374257
Energy: 0.7535452087261509
Energy: 0.709157826009748
Energy: 0.7106575979678676
Energy: 0.7227946328541364
Energy: 0.7095042189675663
Energy: 0.7101856236713334
Energy: 0.7459875205168738
Energy: 0.657530673849962
Energy: 0.6539694229810302
Energy: 0.6994283309174718
Energy: 0.6525222010267423
Energy: 0.7010866213995373
Energy: 0.7767213553450139
Energy: 0.7888267352795801
Energy: 0.7828732417575414
Energy: 0.6933039188894775
Energy: 0.7839514561844044
Energy: 0.7009514197698993
Energy: 0.7479275210476123
Energy: 0.7064134367844495
Energy: 0.7606971046676613
Energy: 0.7006795082384456
Energy: 0.7039910439698261
Energy: 0.700294930811242
Energy: 0.7418515811513771
Energy: 0.6931159045769265
Energy: 0.693214083215105
Energy: 0.7241384798792582
Energy: 0.6928663823396347
Energy: 0.6971162799828675
Energy: 0.7459802723258635
Energy: 0.637492613262838
Energy: 0.6400708254776297
Energy: 0.7349734645303598
Energy: 0.6376362491017804
Energy: 0.7060558493149593
Energy: 0.674458906310435
Energy: 0.7075727942542145
Energy: 0.7066715260867308
Energy: 0.6210332845175789
Energy: 0.7070225672507081
Energy: 0.707036260052372
Energy: 0.6741847811624355
Energy: 0.7062213823322393
Energy: 0.7064790472076754
Energy: 0.6252959061115504
Energy: 0.711066885113598
Energy: 0.6190660061100898
Energy: 0.7210960582732617
Energy: 0.6550988907122145
Energy: 0.6540506018916273
Energy: 0.6548079847890933
Energy: 0.6564203227094432
Energy: 0.65405333052109
Energy: 0.8121607618176314
Energy: 0.7264552823350146
Energy: 0.7259599695416764
Energy: 0.7207638581940589
Energy: 0.7272394356506566
Energy: 0.7254538607408406
Energy: 0.7215403078382063
Energy: 0.7040749761668031
Energy: 0.7043249514118294
Energy: 0.6563211249072148
Energy: 0.7031319309629624
Energy: 0.7027392398421193
Energy: 0.8569373457477852
Energy: 0.6855409851002494
Energy: 0.6899209100814627
Energy: 0.7835366986611038
Energy: 0.6855040761685554
Energy: 0.6926244090083166
Energy: 0.7533218304107134
Energy: 0.7010084627911749
Energy: 0.7562550893047112
Energy: 0.7048475037771108
Energy: 0.7027186318312708
Energy: 0.7036195344657634
Energy: 0.791512230258468
Energy: 0.7153705237774083
Energy: 0.6884788621514012
Energy: 0.6868393826400987
Energy: 0.7144003137088842
Energy: 0.6883938615172485
Energy: 0.7919975687193145
Energy: 0.7177194358102531
Energy: 0.6899418487737908
Energy: 0.6884420595316044
Energy: 0.7174399772343254
Energy: 0.6901854135933271
Energy: 0.7167622571592276
Energy: 0.6547091103031312
Energy: 0.6552045961825633
Energy: 0.7036889043651137
Energy: 0.6554694488520961
Energy: 0.7022343135513102
Energy: 0.751349026087691
Energy: 0.6211569964252213
Energy: 0.6592183809635422
Energy: 0.7270250461359749
Energy: 0.6552190194491202
Energy: 0.6580131379264808
Energy: 0.7183169169588662
Energy: 0.6538488830819889
Energy: 0.6538574957653939
Energy: 0.6561172176420738
Energy: 0.6538984062254416
Energy: 0.6531746514183084
Energy: 0.7603863243135522
Energy: 0.7228035922222917
Energy: 0.7222139355663492
Energy: 0.722210929546691
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Energy: 0.7225715897795102
Energy: 0.7542434121867796
Energy: 0.7063240047292095
Energy: 0.7063067762110158
Energy: 0.7074866255193636
Energy: 0.7058769316576086
Energy: 0.7067225752125252
Energy: 0.7744025723415078
Energy: 0.7651955931651674
Energy: 0.7672649882176513
Energy: 0.6772262157732086
Energy: 0.7649136885123708
Energy: 0.767170214742178
Energy: 0.7748178270369379
Energy: 0.7611307884900845
Energy: 0.7607167701707782
Energy: 0.6746354029209797
Energy: 0.7603177949882965
Energy: 0.7620222545312266
Energy: 0.7498034235196815
Energy: 0.6372512467194117
Energy: 0.7036666751236879
Energy: 0.7088197191599086
Energy: 0.6373423568404184
Energy: 0.7043461680510735
Energy: 0.7441500950599423
Energy: 0.6949591263512004
Energy: 0.6986539333010668
Energy: 0.7240468016353534
Energy: 0.6947740062672686
Energy: 0.6985830843113912
Energy: 0.7186592656358809
Energy: 0.705143834959937
Energy: 0.7102623597257192
Energy: 0.65582529912973
Energy: 0.7030528136286557
Energy: 0.6537254235689602
Energy: 0.6744644344433416
Energy: 0.7540649233058809
Energy: 0.7274825178360164
Energy: 0.6181499241895095
Energy: 0.7554814324351422
Energy: 0.6591419855825953
Energy: 0.7201348782664758
Energy: 0.6564750345910555
Energy: 0.6517205549513979
Energy: 0.6539763053119974
Energy: 0.6619843441787374
Energy: 0.6556744373542948
Energy: 0.8101397216038785
Energy: 0.7114424861360459
Energy: 0.7106638652029672
Energy: 0.7174086211141868
Energy: 0.7128373241689153
Energy: 0.7106845646676081
Energy: 0.8098422290802292
Energy: 0.7100994808439013
Energy: 0.7130271283771077
Energy: 0.711522637436484
Energy: 0.7100448600663295
Energy: 0.7095837447839114
Energy: 0.7395560938038876
Energy: 0.6765907127072034
Energy: 0.7064700083422291
Energy: 0.6601889488185145
Energy: 0.6728110263714886
Energy: 0.6794075584970178
Energy: 0.8320722088888486
Energy: 0.6838112807185504
Energy: 0.684650453662913
Energy: 0.690588122463924
Energy: 0.6821710759564636
Energy: 0.7644979759201928
Energy: 0.7230616493005226
Energy: 0.6535070770085991
Energy: 0.6584236444692093
Energy: 0.6274727486584509
Energy: 0.6531598426434883
Energy: 0.6803172974981639
Energy: 0.8561257291301215
Energy: 0.6914745769337877
Energy: 0.7048160795379197
Energy: 0.6960194915370707
Energy: 0.6939476236537212
Energy: 0.7486286269347457

minimum gb energy = 0.6093896138188758 eV
minimum distance =  2.4211004642914 Angstroms
sigma value = 43


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

Energy: 0.957191458309968
Energy: 0.6513695986389194
Energy: 0.71176214165626
Energy: 0.7611468125628423
Energy: 0.6742571511615887
Energy: 0.760840150860166
Energy: 0.6896834058429188
Energy: 0.6407278888581754
Energy: 0.6395887395149689
Energy: 0.6785228605985395
Energy: 0.6424150089559749
Energy: 0.6373035066366916
Energy: 0.7172186039156343
Energy: 0.6544448558108427
Energy: 0.6542030696523912
Energy: 0.6867287185224678
Energy: 0.65451473093816
Energy: 0.6752484729320803
Energy: 0.7231811004264325
Energy: 0.6669229457939343
Energy: 0.6349340658787606
Energy: 0.6837029791373689
Energy: 0.65689496862175
Energy: 0.6883417508026574
Energy: 0.6441819871356933
Energy: 0.6041585472079352
Energy: 0.6038939601682726
Energy: 0.6018788005141619
Energy: 0.6028925652192396
Energy: 0.6034535783503419
Energy: 0.6444156194310275
Energy: 0.6032696697377357
Energy: 0.6034228347531264
Energy: 0.6025816273100794
Energy: 0.6032462234989515
Energy: 0.6035362417507709
Energy: 0.6457970090358365
Energy: 0.6025931794406268
Energy: 0.6028791184330623
Energy: 0.6426003865864643
Energy: 0.6023226287064694
Energy: 0.6394801337951895
Energy: 0.7334179462825334
Energy: 0.6975310144763404
Energy: 0.6970476532514576
Energy: 0.6411859133273972
Energy: 0.6872539800500651
Energy: 0.6892277178836956
Energy: 0.7153555280457263
Energy: 0.6824993908032236
Energy: 0.682511913118619
Energy: 0.6429836252410385
Energy: 0.6820736942507104
Energy: 0.6356648585510457
Energy: 0.6425330238581491
Energy: 0.6857970584290485
Energy: 0.686179266369885
Energy: 0.6133796461829301
Energy: 0.7045936866452236
Energy: 0.6871915827010731
Energy: 0.6427464449027784
Energy: 0.7202133173479559
Energy: 0.672631291472497
Energy: 0.6129776285711526
Energy: 0.6180300691814078
Energy: 0.6150310607435817
Energy: 0.8818916852032315
Energy: 0.6754730020507407
Energy: 0.675745033373469
Energy: 0.6014724833201474
Energy: 0.6747854380780821
Energy: 0.6754828261275988
Energy: 0.8812996762938311
Energy: 0.6883677569535888
Energy: 0.7168439606483236
Energy: 0.6575080214383361
Energy: 0.7135209014191004
Energy: 0.694892691527137
Energy: 0.6427797691470691
Energy: 0.6163797291241259
Energy: 0.6160465114540926
Energy: 0.6160145956634967
Energy: 0.6038174057008965
Energy: 0.6159423226549509
Energy: 0.6424962250133391
Energy: 0.6139416403223483
Energy: 0.6129725321195361
Energy: 0.61342893689854
Energy: 0.6029718804853291
Energy: 0.612834419218969
Energy: 0.6614862460591693
Energy: 0.6035767088604315
Energy: 0.6032757396603793
Energy: 0.6421804764285736
Energy: 0.603599056587504
Energy: 0.6402003856329836
Energy: 0.6649928526643957
Energy: 0.6383234813733956
Energy: 0.6383044695630705
Energy: 0.6401052175579586
Energy: 0.616037252946875
Energy: 0.6390017297323599
Energy: 0.6648880700588506
Energy: 0.6467253670692321
Energy: 0.6472307553903682
Energy: 0.6376853976619784
Energy: 0.6451523907586845
Energy: 0.6390763414189676
Energy: 0.7681292395017725
Energy: 0.6387889430428088
Energy: 0.6391258125774182
Energy: 0.7214581439123795
Energy: 0.6394386226673253
Energy: 0.7117695445555459
Energy: 0.8155808095547258
Energy: 0.6399250538478284
Energy: 0.6400065016479763
Energy: 0.7227370980992371
Energy: 0.6397271698641348
Energy: 0.6767184916685781
Energy: 0.6648939098786862
Energy: 0.6744844846469562
Energy: 0.643117034372683
Energy: 0.6392993188677464
Energy: 0.6250540497332755
Energy: 0.6403949623022918
Energy: 0.8366943500801786
Energy: 0.742629030688714
Energy: 0.7273698594270824
Energy: 0.6817610123813829
Energy: 0.6619901666781186
Energy: 0.7198824188658967
Energy: 0.7764778553059456
Energy: 0.6417580408689603
Energy: 0.6417640840190459
Energy: 0.6407181374952392
Energy: 0.6419136384595273
Energy: 0.6534520435667297
Energy: 0.705833874368276
Energy: 0.6392406772852945
Energy: 0.6390653742318377
Energy: 0.625514013322417
Energy: 0.639394525212189
Energy: 0.6392978426234679
Energy: 0.775568090730622
Energy: 0.6390976958424797
Energy: 0.6398527984959484
Energy: 0.6433293178986023
Energy: 0.6393201851748901
Energy: 0.6399588720404485
Energy: 0.6826908081936353
Energy: 0.6146422967730549
Energy: 0.6150101329705007
Energy: 0.6136421986477828
Energy: 0.6133545270295253
Energy: 0.6153688985440576
Energy: 0.6841364308178686
Energy: 0.6143027921103951
Energy: 0.6142912790783233
Energy: 0.6138519694462345
Energy: 0.613785737150551
Energy: 0.6142326514936012
Energy: 0.6820076996638608
Energy: 0.6139381277513408
Energy: 0.6138643498279858
Energy: 0.6025868916547064
Energy: 0.6141354072500538
Energy: 0.6025982085045474
Energy: 0.7321773451838248
Energy: 0.6892250000560219
Energy: 0.7175533349886124
Energy: 0.7501036673556467
Energy: 0.6446482986956232
Energy: 0.7185420004898269
Energy: 0.7119159066788701
Energy: 0.6148652458473897
Energy: 0.6152488031410591
Energy: 0.6808689013085198
Energy: 0.6160425085863273
Energy: 0.6406478159258899
Energy: 0.8301249575783131
Energy: 0.614186600405209
Energy: 0.7740586905532818
Energy: 0.7340186903525303
Energy: 0.6135055908205597
Energy: 0.6267985572127011

minimum gb energy = 0.6014724833201474 eV
minimum distance =  2.41191997584347 Angstroms
sigma value = 57


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

Energy: 0.7947835029105895
Energy: 0.7117970573767401
Energy: 0.7329899912138513
Energy: 0.6547625487340598
Energy: 1.0642864816760234
Energy: 0.731385708195254
Energy: 0.6156617692475186
Energy: 0.5975701370799626
Energy: 0.5966500511286821
Energy: 0.5975273669212607
Energy: 0.5988692432807114
Energy: 0.5961362917359205
Energy: 0.6898989593261772
Energy: 0.58997513125105
Energy: 0.5900552632628516
Energy: 0.6521312507523405
Energy: 0.5900998365412804
Energy: 0.5903430368944086
Energy: 0.6597102303618779
Energy: 0.5967055869003526
Energy: 0.597016625678926
Energy: 0.60080495954653
Energy: 0.595992678621868
Energy: 0.5988786234578987
Energy: 0.6363259846517482
Energy: 0.5954342839131526
Energy: 0.5947805795673834
Energy: 0.5976265793530497
Energy: 0.5949761398638419
Energy: 0.5943952612728596
Energy: 0.6105171640638514
Energy: 0.5947025183376707
Energy: 0.5950528627764574
Energy: 0.5943084437302429
Energy: 0.5948692711631283
Energy: 0.594989086998864
Energy: 0.6769361809928299
Energy: 0.5976958642703057
Energy: 0.5981416709604919
Energy: 0.5981476614920342
Energy: 0.5985350556505755
Energy: 0.5975120396578736
Energy: 0.638013748953248
Energy: 0.6517158462665049
Energy: 0.6641620895238194
Energy: 0.5980392291407233
Energy: 0.6519948367143767
Energy: 0.662688969545905
Energy: 0.6743906149651744
Energy: 0.6499205825034519
Energy: 0.5962914232928668
Energy: 0.5985641338682874
Energy: 0.6505208754219302
Energy: 0.5956986574573586
Energy: 0.6950206344424255
Energy: 0.6533355993038527
Energy: 0.6621100264866167
Energy: 0.6544360979029167
Energy: 0.600864066230978
Energy: 0.6801012594780989
Energy: 0.6941185202719355
Energy: 0.6005305181397835
Energy: 0.5993264531593016
Energy: 0.6514960388660461
Energy: 0.600155241844659
Energy: 0.601164207700216
Energy: 0.6155028615502124
Energy: 0.6485285032234359
Energy: 0.6507763477800725
Energy: 0.5919982008992715
Energy: 0.6526158904627641
Energy: 0.6681481562440849
Energy: 0.6153429755820913
Energy: 0.6502251668012822
Energy: 0.7020004068604891
Energy: 0.5922433363039622
Energy: 0.6514066343353037
Energy: 0.7005079092225757
Energy: 0.7349479632357462
Energy: 0.5968118729172448
Energy: 0.596027488725288
Energy: 0.6000869245285329
Energy: 0.6014342708504858
Energy: 0.5960069608555029
Energy: 0.6935556562463459
Energy: 0.5999022566998478
Energy: 0.6292273615167506
Energy: 0.6504120033673376
Energy: 0.5937854286339039
Energy: 0.5964202619835405
Energy: 0.6600142878123932
Energy: 0.5959764977358961
Energy: 0.5957414012971125
Energy: 0.597187700186056
Energy: 0.5969017869312848
Energy: 0.5961440631310879
Energy: 0.6370305245459799
Energy: 0.5950452808166408
Energy: 0.5949016773143784
Energy: 0.5956305224047962
Energy: 0.5951088055497955
Energy: 0.5951975501778802
Energy: 0.6363538569035689
Energy: 0.5948457190885467
Energy: 0.5938706338957668
Energy: 0.5969388949911536
Energy: 0.5970221253902858
Energy: 0.594001048383954
Energy: 0.6802045982963681
Energy: 0.5954966765576406
Energy: 0.5947726831705293
Energy: 0.5972029878418708
Energy: 0.5958221780592693
Energy: 0.5956036501876824
Energy: 0.6804608789567991
Energy: 0.6524252281895182
Energy: 0.6528275400035201
Energy: 0.5970864487799116
Energy: 0.6520479992941887
Energy: 0.6529350447917183
Energy: 0.6740950399126893
Energy: 0.5960918833345537
Energy: 0.5965492593329256
Energy: 0.5994208642507618
Energy: 0.647485279679643
Energy: 0.5965797299668688
Energy: 0.7927497934558203
Energy: 0.6686921986044628
Energy: 0.6721294093287168
Energy: 0.7178735369158181
Energy: 0.6680725133423373
Energy: 0.6725725414080512
Energy: 0.7317708785541508
Energy: 0.5969459330192513
Energy: 0.5965885047842271
Energy: 0.6003267086507376
Energy: 0.6476190470827411
Energy: 0.5964782222600045
Energy: 0.6153966135028925
Energy: 0.6462241999575024
Energy: 0.7020575052661842
Energy: 0.5918911186706624
Energy: 0.6513259107003753
Energy: 0.7001830637483274

minimum gb energy = 0.58997513125105 eV
minimum distance =  2.43413988732912 Angstroms
sigma value = 17


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

Energy: 0.8225306077538643
Energy: 0.6922477495739904
Energy: 0.6919714570745892
Energy: 0.6114256777076928
Energy: 0.6386740529543539
Energy: 0.605967776504591
Energy: 0.6145191959483511
Energy: 0.6034512440961809
Energy: 0.6028203233192562
Energy: 0.6017701842090054
Energy: 0.6060014101500681
Energy: 0.6034022456331966
Energy: 0.6598927513071263
Energy: 0.5974802365359032
Energy: 0.5976872195621007
Energy: 0.6056183218547939
Energy: 0.596461727272608
Energy: 0.5978052057521702
Energy: 0.6925405241786295
Energy: 0.5776378448153775
Energy: 0.5961634391051336
Energy: 0.5680244419644869
Energy: 0.5443713106703207
Energy: 0.606452476819919
Energy: 0.6508647790788339
Energy: 0.5699031207819361
Energy: 0.569828470692321
Energy: 0.5472661691155086
Energy: 0.5698705620203087
Energy: 0.5696216740960839
Energy: 0.6057775752064879
Energy: 0.5701124835505733
Energy: 0.5699864080395927
Energy: 0.5442654517429288
Energy: 0.5724791903268964
Energy: 0.5462981920475174
Energy: 0.5871078617448847
Energy: 0.5451240364208433
Energy: 0.5455857534760437
Energy: 0.5458995819134616
Energy: 0.5461164835077249
Energy: 0.5455586837659399
Energy: 0.5890664063012061
Energy: 0.5459496205503792
Energy: 0.5462372545168817
Energy: 0.5452134854433796
Energy: 0.545740331079491
Energy: 0.6059417909879382
Energy: 0.5856928627011528
Energy: 0.5454926877133841
Energy: 0.5454408991454367
Energy: 0.5462420585581442
Energy: 0.5454788801079602
Energy: 0.5457834538784466
Energy: 0.6337914946208515
Energy: 0.5709424819633565
Energy: 0.5714561311259693
Energy: 0.5726601438970323
Energy: 0.5716050478538196
Energy: 0.5720354936313519
Energy: 0.5956380784004018
Energy: 0.5697989282917044
Energy: 0.5696738708008281
Energy: 0.5703145660163499
Energy: 0.5704864092623069
Energy: 0.56999045122666
Energy: 0.6524353755111595
Energy: 0.5693331608906108
Energy: 0.5689465396185801
Energy: 0.5481096721423406
Energy: 0.5699223224139213
Energy: 0.5694076774287549
Energy: 0.6532563348414199
Energy: 0.6425619126918599
Energy: 0.6679421907796498
Energy: 0.5770529455863878
Energy: 0.637063368337284
Energy: 0.6671594639287599
Energy: 0.5961100438650756
Energy: 0.6016073557826062
Energy: 0.6007350373353258
Energy: 0.5711493532880856
Energy: 0.6831187107165401
Energy: 0.6014167515870216
Energy: 0.7653877479132337
Energy: 0.6800560419213045
Energy: 0.6806327729373896
Energy: 0.6362113842631832
Energy: 0.6790114474006484
Energy: 0.6851427664178996
Energy: 0.749371177526214
Energy: 0.6031297082336412
Energy: 0.603324512802233
Energy: 0.6057143459878731
Energy: 0.6858866074586405
Energy: 0.6048353570939742
Energy: 0.6214784522181479
Energy: 0.6399786155643457
Energy: 0.6802834980751279
Energy: 0.5841947733639064
Energy: 0.640694825921919
Energy: 0.6775583520129618

minimum gb energy = 0.5442654517429288 eV
minimum distance =  2.41471284459862 Angstroms
sigma value = 17


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

Energy: 0.5989177896601581
Energy: 0.6747591861114305
Energy: 0.577636570627771
Energy: 0.5803777841062712
Energy: 0.8376881433456455
Energy: 0.5784152401292586
Energy: 0.6685402746773847
Energy: 0.5809410212282805
Energy: 0.5811285199116147
Energy: 0.6513479947816952
Energy: 0.5790408199666637
Energy: 0.5812382928428107
Energy: 0.6620443735760763
Energy: 0.5327463363556274
Energy: 0.5772869441547346
Energy: 0.6628064563048689
Energy: 0.5320191101520015
Energy: 0.5770606695326038
Energy: 0.6999068961787331
Energy: 0.5302735571216276
Energy: 0.562854568440653
Energy: 0.6318616972456688
Energy: 0.5295388937469934
Energy: 0.5771480621533104
Energy: 0.6420834493298833
Energy: 0.5502872382294243
Energy: 0.5498371457677025
Energy: 0.5918772122975497
Energy: 0.550278841089098
Energy: 0.5498090842489154
Energy: 0.5851788155832826
Energy: 0.5551724824338653
Energy: 0.5312070059391318
Energy: 0.5355633165594392
Energy: 0.5491714278714085
Energy: 0.5294325605722824
Energy: 0.5964945328749449
Energy: 0.5154648878152805
Energy: 0.5142798752645582
Energy: 0.5158096254384521
Energy: 0.6271622029928513
Energy: 0.5141145729900194
Energy: 0.573089051124914
Energy: 0.5092704170349585
Energy: 0.5177064379948083
Energy: 0.5169702008908164
Energy: 0.508739201693881
Energy: 0.5699820956512922
Energy: 0.5839934085585949
Energy: 0.5077855873753355
Energy: 0.5153330396731732
Energy: 0.5851046384361286
Energy: 0.5089106526925637
Energy: 0.5151942047619243
Energy: 0.6072390455133092
Energy: 0.5051035623355445
Energy: 0.5051451115315233
Energy: 0.5072122860355616
Energy: 0.5055197367667726
Energy: 0.505458408576524
Energy: 0.5817302090136323
Energy: 0.5060411719960937
Energy: 0.5055145565868797
Energy: 0.5054258987470418
Energy: 0.5050643451485368
Energy: 0.5054301598550652
Energy: 0.5936723514319262
Energy: 0.5533160495434573
Energy: 0.5163833911756722
Energy: 0.509435484151088
Energy: 0.5540262010912392
Energy: 0.5161977656292096
Energy: 0.5980249061707662
Energy: 0.5693612881126792
Energy: 0.517585285409151
Energy: 0.5170055579357213
Energy: 0.5710980841099982
Energy: 0.5176961313233522
Energy: 0.634493725148664
Energy: 0.5154594699468755
Energy: 0.5153500364068772
Energy: 0.6321934864241172
Energy: 0.516437764951235
Energy: 0.516002320514063
Energy: 0.6278560702794168
Energy: 0.5161892848294735
Energy: 0.5165302635599632
Energy: 0.5563053899267292
Energy: 0.5229855863408797
Energy: 0.5486420310181113
Energy: 0.6294578302032243
Energy: 0.5332472231547204
Energy: 0.5493650734619915
Energy: 0.5495366379378587
Energy: 0.5336157017736173
Energy: 0.549256321512267
Energy: 0.5829333162057888
Energy: 0.6237498812762902
Energy: 0.5904130975751326
Energy: 0.5166797702828939
Energy: 0.6626601666970289
Energy: 0.5549202810320456
Energy: 0.5925667799066173
Energy: 0.6231074491014893
Energy: 0.6233164335288907
Energy: 0.5320618465950879
Energy: 0.6243710804691853
Energy: 0.5547304044963988
Energy: 0.6273239770459704
Energy: 0.5832007800258842
Energy: 0.5826270245923464
Energy: 0.5494599833248238
Energy: 0.5623063988453787
Energy: 0.5818210578921301
Energy: 0.6729342924383322
Energy: 0.5571575275167109
Energy: 0.5671129596837456
Energy: 0.6226028444293686
Energy: 0.5648984232642821
Energy: 0.6322016882193094
Energy: 0.6507163440671137
Energy: 0.5807730997102031
Energy: 0.5806826339587086
Energy: 0.6513491963314679
Energy: 0.6459576826893982
Energy: 0.5805291902793164
Energy: 0.6009290147410422
Energy: 0.6242299086383744
Energy: 0.6689489391012146
Energy: 0.5303530980403595
Energy: 0.6254869577436339
Energy: 0.5801178185467761
Energy: 0.5994766791084764
Energy: 0.5904738247978312
Energy: 0.5901359422112353
Energy: 0.5350273110564231
Energy: 0.5906128534307501
Energy: 0.5787039927267231
Energy: 0.6658576436408649
Energy: 0.5305856698068847
Energy: 0.5909259171043432
Energy: 0.6617110795954317
Energy: 0.5287540577413544
Energy: 0.5904047621212836
Energy: 0.7002010535597551
Energy: 0.5373093906554847
Energy: 0.5803742233569915
Energy: 0.5887965430495495
Energy: 0.5380697700474675
Energy: 0.5793239867631712
Energy: 0.6440001331181049
Energy: 0.5470669909244005
Energy: 0.5469971363572659
Energy: 0.5917055068184448
Energy: 0.5475217058862323
Energy: 0.5480674259140336
Energy: 0.5864451396854599
Energy: 0.5523220212240751
Energy: 0.5509448040259035
Energy: 0.535123172418816
Energy: 0.5522620975481305
Energy: 0.5345612131269464
Energy: 0.5808666831609273
Energy: 0.574381342806362
Energy: 0.5342428631812753
Energy: 0.5058640326934384
Energy: 0.6249582605176006
Energy: 0.5330711167709156
Energy: 0.5703522818018977
Energy: 0.516472610047214
Energy: 0.5166818229880927
Energy: 0.5166611662750413
Energy: 0.5191535293260271
Energy: 0.5166296590062478
Energy: 0.5921565604375543
Energy: 0.5074797334330311
Energy: 0.5183184028463076
Energy: 0.5557456703978666
Energy: 0.5070882459342838
Energy: 0.519290207857912
Energy: 0.595947080895247
Energy: 0.505058886972991
Energy: 0.5042939242343945
Energy: 0.5915535574712145
Energy: 0.5048738255248117
Energy: 0.5041181199164783
Energy: 0.5796701157708859
Energy: 0.5054430944086541
Energy: 0.5053516643495414
Energy: 0.5056949427321348
Energy: 0.507920355582887
Energy: 0.5045456936701499
Energy: 0.6255335673147074
Energy: 0.5895546840728172
Energy: 0.5506013667854038
Energy: 0.5067962998038361
Energy: 0.5844614769785477
Energy: 0.5044135350899345
Energy: 0.6260623995172012
Energy: 0.5141620721124796
Energy: 0.5136115108343494
Energy: 0.5133500015995331
Energy: 0.5176845557505524
Energy: 0.5134762751249117
Energy: 0.642630828519055
Energy: 0.5137601829555288
Energy: 0.5133616744121005
Energy: 0.6237906107685697
Energy: 0.5138310139104408
Energy: 0.5134118956749939
Energy: 0.6287048245371297
Energy: 0.519494916830333
Energy: 0.5537677311629624
Energy: 0.6297355176473077
Energy: 0.5187995834816367
Energy: 0.5532397731051004
Energy: 0.5684693159481452
Energy: 0.5332073958147128
Energy: 0.551093483053054
Energy: 0.5517249320044761
Energy: 0.5337239996436843
Energy: 0.5512705801312114
Energy: 0.5858233202220414
Energy: 0.5524758296061064
Energy: 0.554166686479072
Energy: 0.5564492438379481
Energy: 0.5527070097535808
Energy: 0.5563325299845338
Energy: 0.5891370806104358
Energy: 0.6226818543356789
Energy: 0.555246371305109
Energy: 0.5619923817195659
Energy: 0.6194900100313282
Energy: 0.5528860054823632
Energy: 0.6272053713303742
Energy: 0.652015940988493
Energy: 0.580159412207921
Energy: 0.5528567139000916
Energy: 0.6514858961470149
Energy: 0.5802448783453752
Energy: 0.7237951614604731
Energy: 0.5629369706030214
Energy: 0.6305558228282159
Energy: 0.5793464961068486
Energy: 0.5631021871932058
Energy: 0.6310307037081012
Energy: 0.6656759375916097
Energy: 0.5601691497602697
Energy: 0.5947353484153918
Energy: 0.6620321539878388
Energy: 0.5586890996562393
Energy: 0.5900140068742482
Energy: 0.5935813447377785
Energy: 0.6220577323148857
Energy: 0.6221169237756266
Energy: 0.5363098323801274
Energy: 0.607428013464443
Energy: 0.573889776534267

minimum gb energy = 0.5041181199164783 eV
minimum distance =  2.41999647834731 Angstroms
sigma value = 57


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

Energy: 0.5423098879064597
Energy: 0.6099989617666967
Energy: 0.5462188133390289
Energy: 0.5099253615252537
Energy: 0.7528388558933854
Energy: 0.5486376428335201
Energy: 0.653550301554938
Energy: 0.5225500897007708
Energy: 0.5231431815588936
Energy: 0.5310920188307222
Energy: 0.5228565235583441
Energy: 0.5548491917965944
Energy: 0.6499012938751139
Energy: 0.5023618399580397
Energy: 0.5096688054740169
Energy: 0.5782250273091354
Energy: 0.5021577832824569
Energy: 0.545030773801656
Energy: 0.6266893585095424
Energy: 0.50325271308202
Energy: 0.583730705325031
Energy: 0.5670094871228712
Energy: 0.48567580681885236
Energy: 0.5492165312510199
Energy: 0.548087990774161
Energy: 0.5250558659054338
Energy: 0.5249920336106156
Energy: 0.48326514012165794
Energy: 0.524947844720175
Energy: 0.5249168063690468
Energy: 0.5312223699764054
Energy: 0.5281574769696122
Energy: 0.5048171935092234
Energy: 0.4798360745395408
Energy: 0.5220489328527412
Energy: 0.5044698709399302
Energy: 0.5690890474354859
Energy: 0.6055035365154094
Energy: 0.4884952862964774
Energy: 0.487769097988966
Energy: 0.5896250598875499
Energy: 0.48695857366587203
Energy: 0.5702197411534908
Energy: 0.4844107223571947
Energy: 0.47966633460909536
Energy: 0.4911917717156868
Energy: 0.48397457709550606
Energy: 0.49312579240958954
Energy: 0.5585082314096043
Energy: 0.48355414043688116
Energy: 0.48425538954114766
Energy: 0.5599184229632103
Energy: 0.4714624257331874
Energy: 0.49196721882592087
Energy: 0.5428790354932072
Energy: 0.47405107388458995
Energy: 0.4734898347408153
Energy: 0.5583517856747219
Energy: 0.4739705916476712
Energy: 0.47336375328572844
Energy: 0.5397496547209673
Energy: 0.4774210051876405
Energy: 0.4772070371722142
Energy: 0.4724432375418484
Energy: 0.5350793459515385
Energy: 0.4784130809401812
Energy: 0.6125956731369075
Energy: 0.5024978609092666
Energy: 0.468788744383972
Energy: 0.4699943705258865
Energy: 0.5371664336753366
Energy: 0.46976147157005516
Energy: 0.580181976148495
Energy: 0.4700674882785569
Energy: 0.5161730304102473
Energy: 0.47041847281579113
Energy: 0.47082653337953534
Energy: 0.5158366669041651
Energy: 0.5357784126246955
Energy: 0.47026738009973956
Energy: 0.47053187557851117
Energy: 0.5373534425443858
Energy: 0.5415913127885469
Energy: 0.47204484949572756
Energy: 0.5536768450687526
Energy: 0.472572996588586
Energy: 0.47147663592306505
Energy: 0.47409779514947437
Energy: 0.4709075010547641
Energy: 0.47426954745193406
Energy: 0.5977996268922082
Energy: 0.4721571573342719
Energy: 0.4714348621087669
Energy: 0.4729328787605892
Energy: 0.5576480266864655
Energy: 0.4714145107494798
Energy: 0.5353488428572595
Energy: 0.4963520468139018
Energy: 0.49647498215801045
Energy: 0.4776793264187771
Energy: 0.5616745857284356
Energy: 0.49512786867845526
Energy: 0.5362354172398591
Energy: 0.4939919192454343
Energy: 0.49472932121191615
Energy: 0.4738641932974018
Energy: 0.49430875845119565
Energy: 0.49484443237623793
Energy: 0.6026475969043137
Energy: 0.5050189950858571
Energy: 0.4947313628545508
Energy: 0.5942632285384642
Energy: 0.5065976474483165
Energy: 0.4939505244571488
Energy: 0.6278347569770406
Energy: 0.4903258677617341
Energy: 0.4896777238955157
Energy: 0.5221015051311254
Energy: 0.49041101548167826
Energy: 0.5236863922050811
Energy: 0.607277778878955
Energy: 0.5048142842110588
Energy: 0.504306104279601
Energy: 0.5232554551121821
Energy: 0.49473884248919914
Energy: 0.5228824601961499
Energy: 0.535128646888249
Energy: 0.5754867426685162
Energy: 0.5242038556056619
Energy: 0.49000577923152105
Energy: 0.5766893447005307
Energy: 0.5240270836183192
Energy: 0.5592607874194438
Energy: 0.571140807270285
Energy: 0.5720589999651182
Energy: 0.4962777857470386
Energy: 0.5734054267783641
Energy: 0.5760490975271704
Energy: 0.6116766890514955
Energy: 0.5428524174998474
Energy: 0.5936174105716339
Energy: 0.5261824307200081
Energy: 0.5358437560371334
Energy: 0.525864784562318
Energy: 0.645464962475498
Energy: 0.5308965093844094
Energy: 0.5381141546458241
Energy: 0.5838266616409759
Energy: 0.5276428152590847
Energy: 0.5759935405254745
Energy: 0.5742643497938849
Energy: 0.5684199795891193
Energy: 0.552254861155327
Energy: 0.569135259876613
Energy: 0.5685082942461205
Energy: 0.5507854005334805
Energy: 0.5409784236736769
Energy: 0.5740659401389381
Energy: 0.547790987371217
Energy: 0.5070961361627603
Energy: 0.5705277525059825
Energy: 0.5500549952854562

minimum gb energy = 0.468788744383972 eV
minimum distance =  2.42815459785567 Angstroms
sigma value = 43


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

Energy: 0.4674579248799773
Energy: 0.4889125236607795
Energy: 0.5147514737053877
Energy: 0.4479934467085813
Energy: 0.5080660193962154
Energy: 0.4964037804901619
Energy: 0.5677045385352645
Energy: 0.44149099925814606
Energy: 0.4410022112367645
Energy: 0.4504088139884595
Energy: 0.441533265137872
Energy: 0.4408517320678505
Energy: 0.704814906833326
Energy: 0.42620065064986357
Energy: 0.4386859287136921
Energy: 0.46548312269395803
Energy: 0.42416259972347703
Energy: 0.43780359018902526
Energy: 0.6111668448772378
Energy: 0.46815069372741375
Energy: 0.438885398310136
Energy: 0.4487423124128168
Energy: 0.40814017704117583
Energy: 0.4590481574167172
Energy: 0.48393126790769864
Energy: 0.4413184199385196
Energy: 0.4412800419840999
Energy: 0.40959715582514655
Energy: 0.4404778289705713
Energy: 0.4402989881974741
Energy: 0.4538434469266884
Energy: 0.4663093757075005
Energy: 0.42686898176692856
Energy: 0.4951548248693697
Energy: 0.4650465148573216
Energy: 0.41416564764590547
Energy: 0.49452703833828654
Energy: 0.475629738454837
Energy: 0.4725027153121761
Energy: 0.4171625643549987
Energy: 0.4504064479257139
Energy: 0.41605717060149566
Energy: 0.4951275652484275
Energy: 0.3995412405398961
Energy: 0.40678550172833017
Energy: 0.41733754793203354
Energy: 0.4003276966645046
Energy: 0.4072739258957066
Energy: 0.4982788228581223
Energy: 0.41989701240673866
Energy: 0.4160246463692865
Energy: 0.4800768142876228
Energy: 0.3984169222170128
Energy: 0.4152895178142459
Energy: 0.5133611333462892
Energy: 0.4044778688543302
Energy: 0.40387310255784714
Energy: 0.44773287222039615
Energy: 0.4026177927686178
Energy: 0.4031996533550277
Energy: 0.44922803689263446
Energy: 0.40127066935502564
Energy: 0.4010866497887828
Energy: 0.4357693257572139
Energy: 0.40167997839227687
Energy: 0.39529241895161904
Energy: 0.45715443121014715
Energy: 0.4630430677875645
Energy: 0.4398775064878381
Energy: 0.3957728022025826
Energy: 0.45799891444839685
Energy: 0.3956433164789602
Energy: 0.4570000649649179
Energy: 0.4380941322524094
Energy: 0.4431093973487193
Energy: 0.400332527067484
Energy: 0.4376095572512434
Energy: 0.44377085772265623
Energy: 0.4574706814515004
Energy: 0.42873164446458206
Energy: 0.4239136065546946
Energy: 0.458293539682647
Energy: 0.39374157348034733
Energy: 0.4521205814532553
Energy: 0.4871772166080763
Energy: 0.39458681746253144
Energy: 0.3950204882555368
Energy: 0.4800662472157672
Energy: 0.39471209025078313
Energy: 0.3943901479919045
Energy: 0.45153084062715926
Energy: 0.39378040762713934
Energy: 0.43355396978482286
Energy: 0.39508050896082875
Energy: 0.4420079108306922
Energy: 0.39173527682453346
Energy: 0.5127276414864612
Energy: 0.4510228600636513
Energy: 0.4336641122836233
Energy: 0.3954662134544882
Energy: 0.4409057658379827
Energy: 0.3948890366354029
Energy: 0.5094553767599534
Energy: 0.39566423343052864
Energy: 0.3948330081395946
Energy: 0.44583601757621216
Energy: 0.43190280041435697
Energy: 0.39533445585844273
Energy: 0.45158561205708375
Energy: 0.45540096698696825
Energy: 0.43967081814816067
Energy: 0.45241737054942566
Energy: 0.45796734204834694
Energy: 0.440176591412434
Energy: 0.478680281580269
Energy: 0.43512303492472215
Energy: 0.3939663735037288
Energy: 0.4346861109820748
Energy: 0.436935709895923
Energy: 0.3939843620726089
Energy: 0.478530553369859
Energy: 0.4452259385966745
Energy: 0.4380146847985201
Energy: 0.39547795929230944
Energy: 0.4467820797701206
Energy: 0.39438709816900613
Energy: 0.4510636188486195
Energy: 0.3955584446313089
Energy: 0.39404862201122287
Energy: 0.4009452619397644
Energy: 0.4489379332096134
Energy: 0.39226674245631704
Energy: 0.5083168540771552
Energy: 0.39688623111999705
Energy: 0.3967890501778847
Energy: 0.47788367498005624
Energy: 0.39678515409741005
Energy: 0.396330509390478
Energy: 0.4716917640977532
Energy: 0.3912525030273267
Energy: 0.458046287251419
Energy: 0.45779876907394057
Energy: 0.39517022010309194
Energy: 0.4633692591243312
Energy: 0.46969793631096163
Energy: 0.3968731541786053
Energy: 0.3998431109460016
Energy: 0.40390991699617257
Energy: 0.39721281793203317
Energy: 0.39994163027275975
Energy: 0.4719399462080162
Energy: 0.4782849738613971
Energy: 0.4118553347838622
Energy: 0.40255243085090325
Energy: 0.478541501529444
Energy: 0.4026284549160095
Energy: 0.45195208990276736
Energy: 0.41754758504701517
Energy: 0.4147574084698598
Energy: 0.40174271734430933
Energy: 0.4171611817350761
Energy: 0.40536628621319004
Energy: 0.49951158666440565
Energy: 0.417631629977283
Energy: 0.41738948355411437
Energy: 0.40020063573266346
Energy: 0.41675531538552735
Energy: 0.4173244121094534
Energy: 0.5399989927787248
Energy: 0.4035064266427472
Energy: 0.43477325320153914
Energy: 0.5021283258216883
Energy: 0.40668563724396684
Energy: 0.4674300595040325
Energy: 0.6640792746334642
Energy: 0.4122971484088022
Energy: 0.4249134017745932
Energy: 0.4660400230116241
Energy: 0.41380734927078033
Energy: 0.42464884289199795
Energy: 0.48408806766823415
Energy: 0.442274170008006
Energy: 0.4349616777848042
Energy: 0.4407474035502054
Energy: 0.417822241957086
Energy: 0.4414467173123445
Energy: 0.46025752507698986
Energy: 0.4775313110811669
Energy: 0.4530351813041257
Energy: 0.5143860481871326
Energy: 0.4764705248469876
Energy: 0.4302548399704823
Energy: 0.4948146414072139
Energy: 0.46213214851451045
Energy: 0.46291950944502885
Energy: 0.41821690558931396
Energy: 0.45972779505114
Energy: 0.440659247939967
Energy: 0.6627246601034686
Energy: 0.5184519610481861
Energy: 0.4608867287542762
Energy: 0.4498657645753188
Energy: 0.4180493407480944
Energy: 0.47788824331930096
Energy: 0.704696591049624
Energy: 0.44207725222261485
Energy: 0.4609673303242606
Energy: 0.4882030882113824
Energy: 0.446723000662404
Energy: 0.46110104613592656
Energy: 0.5677045165761304
Energy: 0.4615171434153731
Energy: 0.498801853074894
Energy: 0.45038577037620686
Energy: 0.4686122113214658
Energy: 0.5072978674717005

minimum gb energy = 0.3912525030273267 eV
minimum distance =  2.39828547346642 Angstroms
sigma value = 81


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

Energy: 0.024899245066049725
Energy: 0.05623652381016561
Energy: 0.025250599499850403
Energy: 0.026680610921098864
Energy: 0.02557379978053386
Energy: 0.025509461206408946
Energy: 0.05622006364318148
Energy: 0.02550980355820363
Energy: 0.02553553757799842
Energy: 0.056227252621183325
Energy: 0.027683035977059994
Energy: 0.02550118521594744
Energy: 0.025551324740824805
Energy: 0.025560615409618275
Energy: 0.025492872586929196
Energy: 0.05511741317573191
Energy: 0.025428927810410305
Energy: 0.05585356795377873
Energy: 0.02712049961902885
Energy: 0.02546579489525648
Energy: 0.025636619074185178
Energy: 0.025475097612038648
Energy: 0.02539882924165147
Energy: 0.055917553530691694
Energy: 0.055600248294262675
Energy: 0.05517773262508727
Energy: 0.055043064274872155
Energy: 0.056271851325230285
Energy: 0.025384644741481353
Energy: 0.0555973453834502
Energy: 0.025935166732150405
Energy: 0.025610405275228017
Energy: 0.025734377172934336
Energy: 0.027385606383102466
Energy: 0.025744252830890397
Energy: 0.025435191634673
Energy: 0.0551319755386449
Energy: 0.025498549573711025
Energy: 0.025324769318431
Energy: 0.055048369558783984
Energy: 0.02536388950790436
Energy: 0.025406937844187898
Energy: 0.05552883543983812
Energy: 0.025434327176062414
Energy: 0.025336175614047253
Energy: 0.05499366991277711
Energy: 0.025260639356130554
Energy: 0.05817197785809264
Energy: 0.026232949141345413
Energy: 0.025422944677765586
Energy: 0.05633377160015392
Energy: 0.027786170176744233
Energy: 0.025340211419936615
Energy: 0.05697268301925809
Energy: 0.02671168785505244
Energy: 0.054983405625437506
Energy: 0.05536223902918322
Energy: 0.025649776996377976
Energy: 0.025429201089659674
Energy: 0.055220380217293835

minimum gb energy = 0.024899245066049725 eV
minimum distance =  2.5456649860305 Angstroms
sigma value = 3


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

Energy: 0.5254142201090068
Energy: 0.5494073330645467
Energy: 0.51593305771648
Energy: 0.43147163975870156
Energy: 0.5196995368420959
Energy: 0.4699470692661392
Energy: 0.5198238447598664
Energy: 0.5220245288000813
Energy: 0.5158927106333204
Energy: 0.5190891783039574
Energy: 0.5237721585588557
Energy: 0.49977146798708183
Energy: 0.54883286992889
Energy: 0.4437753583180619
Energy: 0.47122812386719576
Energy: 0.5220133350749937
Energy: 0.44962022007702684
Energy: 0.5061513216165046
Energy: 0.503758189667212
Energy: 0.4433254253248848
Energy: 0.4719865396906125
Energy: 0.5015321834171543
Energy: 0.4718444958702295
Energy: 0.5062167133770976
Energy: 0.45264393925553503
Energy: 0.5171929672924338
Energy: 0.5209841867247289
Energy: 0.4531229287924718
Energy: 0.5448727291467707
Energy: 0.5187067117574603
Energy: 0.4423091097637319
Energy: 0.5186283668489129
Energy: 0.486800022608803
Energy: 0.42001410575449694
Energy: 0.5185094115552916
Energy: 0.4160003750734794
Energy: 0.5039937470085392
Energy: 0.4659384146175226
Energy: 0.4950318732468107
Energy: 0.5019336551535878
Energy: 0.4683984222390501
Energy: 0.49641888753248486
Energy: 0.506764483379464
Energy: 0.42182191888918147
Energy: 0.42322007775323156
Energy: 0.4992758042195905
Energy: 0.4023416998091197
Energy: 0.45371841757716547
Energy: 0.5191059363697954
Energy: 0.45288658669079207
Energy: 0.49329130464626086
Energy: 0.501254679380512
Energy: 0.4214924701882356
Energy: 0.495992078683909
Energy: 0.46758622255626
Energy: 0.4703917171775144
Energy: 0.46262386179665554
Energy: 0.45664453108887854
Energy: 0.4686989644638632
Energy: 0.461862225887996
Energy: 0.44307296165085336
Energy: 0.46572788582455615
Energy: 0.46615545963338845
Energy: 0.40555008564229034
Energy: 0.4665907731026699
Energy: 0.40191231141144157
Energy: 0.4285867547295083
Energy: 0.46707889366341826
Energy: 0.46302334656927474
Energy: 0.4283057241823163
Energy: 0.46589856545511144
Energy: 0.4295253999659821
Energy: 0.42795223514794445
Energy: 0.3907897328304811
Energy: 0.4065165740151
Energy: 0.42816232484021843
Energy: 0.3954638312323787
Energy: 0.430293564475935
Energy: 0.492678709759128
Energy: 0.4350400486056984
Energy: 0.42381663287913285
Energy: 0.4323348201852548
Energy: 0.4053433839357357
Energy: 0.4241465353658653
Energy: 0.48815144941950905
Energy: 0.40554930930979877
Energy: 0.4059069035566429
Energy: 0.4307548047230609
Energy: 0.41150560001696507
Energy: 0.40635583422582855
Energy: 0.4881279709880332
Energy: 0.4063225037187927
Energy: 0.4470246850971972
Energy: 0.39768736902554813
Energy: 0.40631309870183685
Energy: 0.39398125215251645
Energy: 0.39343922528493963
Energy: 0.40646285696253415
Energy: 0.39360404208060656
Energy: 0.39326162560219474
Energy: 0.40991443675089057
Energy: 0.39462547973754164
Energy: 0.393400849332644
Energy: 0.3945988514219089
Energy: 0.394479300889504
Energy: 0.3934593129374578
Energy: 0.39374119326449203
Energy: 0.420297118685829
Energy: 0.4800489505061569
Energy: 0.4228450604329225
Energy: 0.41262956214182583
Energy: 0.3971704053492843
Energy: 0.39462722260412214
Energy: 0.390291133996927
Energy: 0.4859484922605758
Energy: 0.39357033781942813
Energy: 0.3939608392662625
Energy: 0.40644505927973695
Energy: 0.39988140142507944
Energy: 0.39469332465709045
Energy: 0.4856153470755072
Energy: 0.39478446097143466
Energy: 0.39380461498129904
Energy: 0.4065762637614883
Energy: 0.39476370561484425
Energy: 0.40595554473078
Energy: 0.41209550269897666
Energy: 0.3943199697310857
Energy: 0.40556926614391825
Energy: 0.4128187286973981
Energy: 0.39474187390284177
Energy: 0.4068841575141236
Energy: 0.40507847485065984
Energy: 0.4309787342975031
Energy: 0.4308132098568783
Energy: 0.40775029631852383
Energy: 0.4313442348669401
Energy: 0.42999406123653233
Energy: 0.4887069420648127
Energy: 0.43059289746766544
Energy: 0.4305160762351731
Energy: 0.3949800399241112
Energy: 0.4313430289998202
Energy: 0.41388062949464516
Energy: 0.4473218103763221
Energy: 0.429093725847908
Energy: 0.42908913151901784
Energy: 0.4654472661321282
Energy: 0.42991720220999513
Energy: 0.4291275430949451
Energy: 0.5038234769344471
Energy: 0.41199842908469864
Energy: 0.4130060635916259
Energy: 0.4662057043029288
Energy: 0.39704402138725275
Energy: 0.46382778647859374
Energy: 0.4676055276675809
Energy: 0.4127782503664099
Energy: 0.4386065972645781
Energy: 0.4682505072028962
Energy: 0.4496241818269971
Energy: 0.46245056829810266
Energy: 0.438749946216197
Energy: 0.49974805487648577
Energy: 0.5002723627506094
Energy: 0.43905228710342603
Energy: 0.46025806804303027
Energy: 0.5002317891789009
Energy: 0.40582921388575216
Energy: 0.49778705859726285
Energy: 0.47825396512228235
Energy: 0.4113884989346908
Energy: 0.49904789132983507
Energy: 0.4072841831705236
Energy: 0.46418336419017536
Energy: 0.49989417887423515
Energy: 0.5016545847321028
Energy: 0.4636743790460228
Energy: 0.5048953350786011
Energy: 0.49593795916165667
Energy: 0.5016793431753102
Energy: 0.4305472413510528
Energy: 0.431501442965162
Energy: 0.4974123381606513
Energy: 0.4063982320602038
Energy: 0.4657120078621611
Energy: 0.5499141902758521
Energy: 0.46697868694307565
Energy: 0.5090546244688144
Energy: 0.522641242891381
Energy: 0.4537345109016344
Energy: 0.49893536875191435
Energy: 0.46363647605375763
Energy: 0.5049138635294648
Energy: 0.500404160580074
Energy: 0.46558866455382597
Energy: 0.5049919949510634
Energy: 0.498393604386788

minimum gb energy = 0.390291133996927 eV
minimum distance =  2.38732030891334 Angstroms
sigma value = 67


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

Energy: 0.6317981432285525
Energy: 0.6272511311711225
Energy: 0.5639494246785038
Energy: 0.5192397593037941
Energy: 0.7145094006271363
Energy: 0.5644065536109149
Energy: 0.6123919622540714
Energy: 0.633497548177252
Energy: 0.6078332146800567
Energy: 0.6175707443575192
Energy: 0.6094263276455674
Energy: 0.6145211218275308
Energy: 0.6458105931659887
Energy: 0.5399087504824752
Energy: 0.5746600202125328
Energy: 0.6098552299926243
Energy: 0.5377365565385414
Energy: 0.5888147531014113
Energy: 0.5883795481324291
Energy: 0.5740179636414455
Energy: 0.5762643295015778
Energy: 0.5803246767214211
Energy: 0.5376528423132105
Energy: 0.5864445413409046
Energy: 0.5843409393102733
Energy: 0.6120324057050711
Energy: 0.6135509764877379
Energy: 0.5810348616771619
Energy: 0.6115608729462072
Energy: 0.6068822289489924
Energy: 0.5917796494341654
Energy: 0.5927930059751024
Energy: 0.5427403831051602
Energy: 0.5404095368135072
Energy: 0.6013736632702293
Energy: 0.5467687262015273
Energy: 0.59137986911063
Energy: 0.5856038190002759
Energy: 0.5748748756562432
Energy: 0.5777794713408392
Energy: 0.5856342267982226
Energy: 0.5807196764086009
Energy: 0.5926990813437156
Energy: 0.5151234198475513
Energy: 0.509554315972241
Energy: 0.5840712944935589
Energy: 0.5128516864980078
Energy: 0.551909937022779
Energy: 0.6042014607310585
Energy: 0.5742425022579044
Energy: 0.5409402273784336
Energy: 0.5781783854643453
Energy: 0.5395203558831795
Energy: 0.5845185343230118
Energy: 0.6054651232620023
Energy: 0.5442064014430066
Energy: 0.5459293642728228
Energy: 0.587120125354343
Energy: 0.5420474033388599
Energy: 0.5332790951644538
Energy: 0.6000055849477862
Energy: 0.533125268653673
Energy: 0.5119413143784645
Energy: 0.5145290377621152
Energy: 0.5431279043443663
Energy: 0.5124659443454742
Energy: 0.5187336276587077
Energy: 0.5431163615839789
Energy: 0.5332409707622283
Energy: 0.5188234348780296
Energy: 0.5412491589447047
Energy: 0.512118313502051
Energy: 0.5120437430861676
Energy: 0.517977434398865
Energy: 0.5129745152826615
Energy: 0.5121314017800235
Energy: 0.5152024381217539
Energy: 0.5211355336775125
Energy: 0.5902313143308335
Energy: 0.5135964758645678
Energy: 0.5183261140449615
Energy: 0.5145853892051668
Energy: 0.5278786786706355
Energy: 0.5119673128585995
Energy: 0.5932922720293178
Energy: 0.5178669872632434
Energy: 0.5125653343744045
Energy: 0.5414633750386105
Energy: 0.5149865217444943
Energy: 0.5116762390396498
Energy: 0.59405836254444
Energy: 0.5178231210058887
Energy: 0.5124429273707797
Energy: 0.5404995433847777
Energy: 0.5304213613442635
Energy: 0.5334721977959764
Energy: 0.5432895274999383
Energy: 0.5097074764804875
Energy: 0.5034700560470919
Energy: 0.5454369769624342
Energy: 0.5064976306960811
Energy: 0.5335816197466261
Energy: 0.5401536670780069
Energy: 0.580946630190576
Energy: 0.5815974742194217
Energy: 0.5402032580836709
Energy: 0.5807748375849533
Energy: 0.5393877138140538
Energy: 0.5890108560036502
Energy: 0.5405942756144285
Energy: 0.5183783551092631
Energy: 0.522566758574731
Energy: 0.5713099420392588
Energy: 0.5172002526183268
Energy: 0.5891105316246286
Energy: 0.5826514011147937
Energy: 0.5830833433057165
Energy: 0.5831020538881896
Energy: 0.5818550869080943
Energy: 0.5880981737214871
Energy: 0.5842238705732259
Energy: 0.5607298841609968
Energy: 0.561217712527445
Energy: 0.5788833967744088
Energy: 0.5182458022533873
Energy: 0.5652696612785578
Energy: 0.6437516513720988
Energy: 0.5207815920853476
Energy: 0.5603725683531714
Energy: 0.6100966924220155
Energy: 0.5190089460749808
Energy: 0.5645819195361576
Energy: 0.6125561230927237
Energy: 0.579422878413446
Energy: 0.5770371194463343
Energy: 0.5899842293345531
Energy: 0.580306380260033
Energy: 0.6092559245019606

minimum gb energy = 0.5034700560470919 eV
minimum distance =  2.37900217473814 Angstroms
sigma value = 33


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

Energy: 0.7322787524526572
Energy: 0.7169751209105633
Energy: 0.7178439760715477
Energy: 0.6192930725635293
Energy: 0.7374529345225675
Energy: 0.5943470854230661
Energy: 0.6881476638002854
Energy: 0.6842763312655796
Energy: 0.652844966853979
Energy: 0.694824632594958
Energy: 0.68416475575084
Energy: 0.6749908102320743
Energy: 0.76285103014421
Energy: 0.6070119982796383
Energy: 0.5997095910951452
Energy: 0.6526284212037717
Energy: 0.6068322641018665
Energy: 0.6005090569274435
Energy: 0.696986541957058
Energy: 0.6070538180491705
Energy: 0.5999738994045659
Energy: 0.6533790982062969
Energy: 0.6067580069289263
Energy: 0.5999609857722825
Energy: 0.6957809286975595
Energy: 0.6529126069241407
Energy: 0.6653924631295377
Energy: 0.6834827813382879
Energy: 0.6824021502335305
Energy: 0.6053600445402343
Energy: 0.6777086951334956
Energy: 0.6065974263375248
Energy: 0.6063386434304312
Energy: 0.6027062597690908
Energy: 0.651072743150036
Energy: 0.6009919974426211
Energy: 0.6560357085429207
Energy: 0.6535206779271998
Energy: 0.6052571596299741
Energy: 0.6115391538210594
Energy: 0.6853415001239657
Energy: 0.603890801431304
Energy: 0.6565445530682331
Energy: 0.61073905915081
Energy: 0.6066958566435195
Energy: 0.6109479289647796
Energy: 0.609226195647311
Energy: 0.6060428770182448
Energy: 0.6751421551750705
Energy: 0.6121488750096323
Energy: 0.6065625514117947
Energy: 0.6229611390405158
Energy: 0.6258297395127383
Energy: 0.604788401979754
Energy: 0.6761731122629837
Energy: 0.6101904210817174
Energy: 0.6123013536312728
Energy: 0.6075316944939211
Energy: 0.6086546201309271
Energy: 0.604969161016681
Energy: 0.6739975191121836
Energy: 0.605966085079634
Energy: 0.6051447848876464
Energy: 0.6082763047648663
Energy: 0.6061754773600607
Energy: 0.6048630701858588
Energy: 0.6054086060006661
Energy: 0.6129107700080084
Energy: 0.6045279631118738
Energy: 0.6059829286486114
Energy: 0.6188766962265949
Energy: 0.6049662884508518
Energy: 0.6064334559754195
Energy: 0.6051702086966217
Energy: 0.604520018664349
Energy: 0.6080201557324766
Energy: 0.6116760950029057
Energy: 0.6050735009037521
Energy: 0.6728253182540646
Energy: 0.6047964979740058
Energy: 0.6045286462949138
Energy: 0.5928442536505509
Energy: 0.6060566966068642
Energy: 0.5921837430228668
Energy: 0.6798933122035639
Energy: 0.6125858754836158
Energy: 0.6035820633846829
Energy: 0.5971714445180966
Energy: 0.6412836252237563
Energy: 0.6050354594294121
Energy: 0.7075443964127017
Energy: 0.6194551965490229
Energy: 0.6208577116705145
Energy: 0.6616657611866168
Energy: 0.6344797408242139
Energy: 0.674448204958683
Energy: 0.7589727320027282
Energy: 0.6173356632237704
Energy: 0.6180633319148815
Energy: 0.6525896661060113
Energy: 0.6183714180152644
Energy: 0.5937057971451806
Energy: 0.7589531025769234
Energy: 0.6854727147887113
Energy: 0.6510823461238475
Energy: 0.683968459630856
Energy: 0.6881577333522395
Energy: 0.6513421537204533
Energy: 0.6764616525001751
Energy: 0.6063561931727569
Energy: 0.5915378999276025
Energy: 0.6096271522956624
Energy: 0.6535290294485334
Energy: 0.601753367433364
Energy: 0.6877345487834424
Energy: 0.681707074370859
Energy: 0.6537892390538745
Energy: 0.5982857495401606
Energy: 0.6826434452432059
Energy: 0.6051971743003612
Energy: 0.7616675157177694
Energy: 0.6069784274932224
Energy: 0.599955709995254
Energy: 0.6533793284206594
Energy: 0.6325815481784702
Energy: 0.5999471517212647
Energy: 0.6954064548995378
Energy: 0.6070417768997153
Energy: 0.5997167465400469
Energy: 0.6530802753716758
Energy: 0.6068805231278758
Energy: 0.6001125617772096
Energy: 0.6982680172586166
Energy: 0.6521334363838095
Energy: 0.6529412397512027
Energy: 0.6869982220041722
Energy: 0.6846842024509732
Energy: 0.6701970709216494
Energy: 0.6775108933084285
Energy: 0.6506708035993929
Energy: 0.6101834081410803
Energy: 0.6019943090887906
Energy: 0.6507017587911598
Energy: 0.5989007698056031
Energy: 0.6544591051994508
Energy: 0.6516623784675657
Energy: 0.6065725814744215
Energy: 0.6118035091970145
Energy: 0.6528605489028328
Energy: 0.6126363470362072
Energy: 0.6575943827058827
Energy: 0.6101875210038854
Energy: 0.6068809105838758
Energy: 0.6110348041659833
Energy: 0.6089642565066075
Energy: 0.6059671166402903
Energy: 0.6737175701358595
Energy: 0.6110947538346978
Energy: 0.6057780781481317
Energy: 0.6217245019509106
Energy: 0.6098273454885909
Energy: 0.605254677534141
Energy: 0.6761478990536862
Energy: 0.6106883992023816
Energy: 0.6134646675719794
Energy: 0.6056323492468858
Energy: 0.6092301776416927
Energy: 0.6054035744735115
Energy: 0.6735113591833852
Energy: 0.6045622222378819
Energy: 0.6045086768858257
Energy: 0.6087038950821283
Energy: 0.6061534113248905
Energy: 0.6045886701640775
Energy: 0.6102460025433945
Energy: 0.6114675656962081
Energy: 0.6046489192478537
Energy: 0.6096653140036595
Energy: 0.6181978782537494
Energy: 0.6038311885801377
Energy: 0.6078395018731653
Energy: 0.6048122687048535
Energy: 0.6035760255191254
Energy: 0.608701755915515
Energy: 0.6125128480752224
Energy: 0.60537942201262
Energy: 0.6718060785628304
Energy: 0.6051909254158445
Energy: 0.6049024974917233
Energy: 0.5929551670443082
Energy: 0.6052299591489955
Energy: 0.6010602550345083
Energy: 0.6815741463715485
Energy: 0.6122944619997609
Energy: 0.6036917145746389
Energy: 0.5949331781177931
Energy: 0.6115972383297796
Energy: 0.6055347948647528
Energy: 0.6484290672292018
Energy: 0.6344197802771917
Energy: 0.6488510519968972
Energy: 0.6133620505481349
Energy: 0.6330370406703769
Energy: 0.6727326993556699
Energy: 0.7575391478603202
Energy: 0.6188975060549963
Energy: 0.6107867487600612
Energy: 0.653028770798279
Energy: 0.5949862840324296
Energy: 0.5927174793337907
Energy: 0.760017838328628
Energy: 0.6902987836528683
Energy: 0.6507823279097009
Energy: 0.6802775658256868
Energy: 0.6885719341829178
Energy: 0.6506200747373696
Energy: 0.6759951552702592
Energy: 0.6058463312507062
Energy: 0.5912226002939449
Energy: 0.6155240516146556
Energy: 0.6526000375495694
Energy: 0.6044435251411046

minimum gb energy = 0.5912226002939449 eV
minimum distance =  2.38806496308034 Angstroms
sigma value = 41


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

Energy: 0.8260418142408487
Energy: 0.7271805920416708
Energy: 0.7289983000807956
Energy: 0.7249251098320324
Energy: 0.7763106293116541
Energy: 0.7277021337019013
Energy: 0.7907408597294496
Energy: 0.7221946829680482
Energy: 0.7229404142611461
Energy: 0.7380480433083341
Energy: 0.7226874919720063
Energy: 0.7213374108403069
Energy: 0.8773941870644634
Energy: 0.7142917017066979
Energy: 0.7127948499289216
Energy: 0.7270269511714351
Energy: 0.7172116135254062
Energy: 0.7122098824881573
Energy: 0.8028672198778815
Energy: 0.7136176028039889
Energy: 0.7118507857558958
Energy: 0.7272892071681872
Energy: 0.7167611390341565
Energy: 0.7212672479096726
Energy: 0.8212384299490569
Energy: 0.7231706775858834
Energy: 0.7214577826845071
Energy: 0.7230607307093762
Energy: 0.7224465079239016
Energy: 0.7215128095338045
Energy: 0.7869697662128405
Energy: 0.7228786460060128
Energy: 0.7217172005235141
Energy: 0.71286107357073
Energy: 0.7215005695324183
Energy: 0.7216901826578179
Energy: 0.7692622306997694
Energy: 0.7212178945791303
Energy: 0.7210819613974196
Energy: 0.7225972301435692
Energy: 0.7211786788673417
Energy: 0.7207332320494985
Energy: 0.7661879113286837
Energy: 0.7217451219614099
Energy: 0.7237240224438066
Energy: 0.7218000477151493
Energy: 0.7215925488368141
Energy: 0.7218642616036186
Energy: 0.7822121148292337
Energy: 0.7235697341884284
Energy: 0.7213670717702497
Energy: 0.7243490120126775
Energy: 0.7261782161654585
Energy: 0.720455567878529
Energy: 0.7974464199960196
Energy: 0.7224106274279724
Energy: 0.7206376947850097
Energy: 0.7267734833123871
Energy: 0.7265153290916361
Energy: 0.7202213189574076
Energy: 0.7984296783588635
Energy: 0.7388002648167402
Energy: 0.7363092573776655
Energy: 0.7241416034745477
Energy: 0.7214905619802814
Energy: 0.7360193474361039
Energy: 0.9183672800720222
Energy: 0.7151180200810349
Energy: 0.7155948301457501
Energy: 0.7231529552164762
Energy: 0.7150430310860221
Energy: 0.7166430581845582
Energy: 0.8848150209164882
Energy: 0.7357262047880939
Energy: 0.7352505055211946
Energy: 0.7248723433704254
Energy: 0.7396872518177768
Energy: 0.7204005404432611
Energy: 0.7898780297506584
Energy: 0.7240317778172454
Energy: 0.7152403860279566
Energy: 0.7189070721990202
Energy: 0.7253662772161696
Energy: 0.7161096818029385

minimum gb energy = 0.7118507857558958 eV
minimum distance =  2.3793513369787 Angstroms
sigma value = 11


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

Energy: 0.9601955219327424
Energy: 0.9584294580660031
Energy: 0.8504262040937882
Energy: 0.8925698541910023
Energy: 0.897306967638557
Energy: 0.90220366456086
Energy: 1.0026508476038565
Energy: 0.8459986066931448
Energy: 0.8415278052293864
Energy: 0.8245029425497873
Energy: 0.847356857629307
Energy: 0.8289586235115205
Energy: 1.039322695647876
Energy: 0.8035803618581471
Energy: 0.8030314265585905
Energy: 0.8323049078052382
Energy: 0.8042406789714305
Energy: 0.8096261591621184
Energy: 0.9066216985069361
Energy: 0.8040134297553484
Energy: 0.8281952147628865
Energy: 0.8255740933128614
Energy: 0.8037659434552997
Energy: 0.8271419043361974
Energy: 0.9059241377354166
Energy: 0.8119951439785928
Energy: 0.8096679556710651
Energy: 0.8089826641218246
Energy: 0.8087274320227665
Energy: 0.8089788644752085
Energy: 0.907127868175359
Energy: 0.8108807199059876
Energy: 0.8100135179583074
Energy: 0.8105732179841656
Energy: 0.8105801108630807
Energy: 0.8093578722015041
Energy: 0.9324439863017031
Energy: 0.8220593730602049
Energy: 0.8217736225189555
Energy: 0.8104120879074806
Energy: 0.8076764616439468
Energy: 0.8218572846372113
Energy: 0.9304098778363794
Energy: 0.8094960963853994
Energy: 0.8096592113138749
Energy: 0.8092867690979597
Energy: 0.8094775075807302
Energy: 0.8112084788391464
Energy: 0.9028530582830284
Energy: 0.8185368559057637
Energy: 0.8084836254679154
Energy: 0.7994910524354113
Energy: 0.8183866878252087
Energy: 0.8079939829878147
Energy: 0.9028679709713573
Energy: 0.8075674814376745
Energy: 0.807339239184531
Energy: 0.7993541505760422
Energy: 0.8248869766908318
Energy: 0.8078056018069245
Energy: 0.9543706513504618
Energy: 0.840168784583889
Energy: 0.8285696276726225
Energy: 0.8467075661573692
Energy: 0.8399230207772095
Energy: 0.8299150714828513
Energy: 0.901854155185727
Energy: 0.8356448162539031
Energy: 0.8351110098483271
Energy: 0.863681317131402
Energy: 0.811349767061968
Energy: 0.8344257863436876
Energy: 0.9333610775827912
Energy: 0.8070118000689741
Energy: 0.8063165571201429
Energy: 0.8075188423246418
Energy: 0.8070617893724253
Energy: 0.8067029886565527
Energy: 0.9039599446115211
Energy: 0.8183652205181879
Energy: 0.8176602786604502
Energy: 0.8044320455642232
Energy: 0.8185758919714662
Energy: 0.8067194398495283
Energy: 0.9037156723104766
Energy: 0.8094804747170998
Energy: 0.807329677542816
Energy: 0.8078120435792674
Energy: 0.8070737356971867
Energy: 0.806998559829352
Energy: 0.9016964785450774
Energy: 0.809002402488705
Energy: 0.8069775671415882
Energy: 0.8065736393603574
Energy: 0.8067495475642276
Energy: 0.8071053209523769
Energy: 0.9110143586371651
Energy: 0.8073644584733356
Energy: 0.8079489136359134
Energy: 0.8141875183995383
Energy: 0.8071063698081008
Energy: 0.8078415502770343
Energy: 0.9040848083914689
Energy: 0.8195410317231866
Energy: 0.8384793294026455
Energy: 0.824159159592662
Energy: 0.818919929262517
Energy: 0.8139063638674123
Energy: 0.9287159641631385
Energy: 0.8069328935378515
Energy: 0.8068738309130429
Energy: 0.8072777982530299
Energy: 0.8067031922163744
Energy: 0.8070585902773443
Energy: 0.89683234004399
Energy: 0.8051038576412648
Energy: 0.8046428756483855
Energy: 0.8530053715681732
Energy: 0.8058273661231444
Energy: 0.8306715025852761
Energy: 0.9920236655041051
Energy: 0.8052384693915307
Energy: 0.841382052036632
Energy: 0.8455440581179672
Energy: 0.804918156565479
Energy: 0.8464064100659738
Energy: 0.9398461136072129
Energy: 0.8479801979189088
Energy: 0.8476469451088079
Energy: 0.8297746619515224
Energy: 0.8485532169064045
Energy: 0.8473048364900152
Energy: 0.9195750775637467
Energy: 0.8528772541253948
Energy: 0.8075114439007139
Energy: 0.8018069519911979
Energy: 0.8529783792833038
Energy: 0.8074054606290708
Energy: 0.9633101709927823
Energy: 0.8070446364668321
Energy: 0.8067927496202689
Energy: 0.8069654951312019
Energy: 0.8075739457806927
Energy: 0.8066538985094833
Energy: 0.9729349102716486
Energy: 0.8294587683394232
Energy: 0.8289884453496353
Energy: 0.836625943683728
Energy: 0.8228375887987345
Energy: 0.8186337176729493
Energy: 0.9041033949256154
Energy: 0.8077335818865334
Energy: 0.8092324462242749
Energy: 0.8071547227245854
Energy: 0.8074491987667664
Energy: 0.8085211131289325
Energy: 0.9043577988774542
Energy: 0.8103625562195461
Energy: 0.8077576611302014
Energy: 0.806690477852772
Energy: 0.8064858116404636
Energy: 0.8064607367213895
Energy: 0.9019391981640209
Energy: 0.8103367363610143
Energy: 0.8076637086117086
Energy: 0.8067952001607049
Energy: 0.8068345126240332
Energy: 0.8065249031128964
Energy: 1.02624657902823
Energy: 0.8020157923539546
Energy: 0.818391182635186
Energy: 0.8183783510076308
Energy: 0.8057615915873256
Energy: 0.8200962934597017
Energy: 1.0284084493149872
Energy: 0.8073161478590989
Energy: 0.8070216816232308
Energy: 0.8066812340937852
Energy: 0.8217574209305814
Energy: 0.806336208119061
Energy: 0.9247940822391839
Energy: 0.8595945932565467
Energy: 0.8053266809623486
Energy: 0.8027147239238639
Energy: 0.8601243197651368
Energy: 0.8069712953223296

minimum gb energy = 0.7993541505760422 eV
minimum distance =  2.38429479709079 Angstroms
sigma value = 57


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

Energy: 1.30526385854166
Energy: 0.98848996406118
Energy: 0.9856104642588891
Energy: 0.9908204883859636
Energy: 1.2521898194838141
Energy: 0.9852785355391095
Energy: 0.9425799383922706
Energy: 0.8747807132069011
Energy: 0.8731217938026273
Energy: 0.8775114308096807
Energy: 0.8779200314877718
Energy: 0.8724472063591424
Energy: 1.0274032327664147
Energy: 0.8585880136834828
Energy: 0.8570093002294571
Energy: 0.881786488243623
Energy: 0.8547822457910976
Energy: 0.8713913599161014
Energy: 0.9679008841451475
Energy: 0.8725578705729377
Energy: 0.8708988287163024
Energy: 0.8743535687560815
Energy: 0.859210224161996
Energy: 0.8703986219395567
Energy: 0.9446064550852327
Energy: 0.8723533832946833
Energy: 0.8700725179583788
Energy: 0.8770061295916027
Energy: 0.8759988153891652
Energy: 0.869173806288192
Energy: 0.9565404335734861
Energy: 0.874192396062291
Energy: 0.8732481977486343
Energy: 0.8751054889476693
Energy: 0.8744981687381782
Energy: 0.872205896451054
Energy: 0.9465326018416487
Energy: 0.8614054069472581
Energy: 0.8622386153943148
Energy: 0.875191348151609
Energy: 0.8610762351698755
Energy: 0.8723590746679353
Energy: 1.0209717280881898
Energy: 0.8733463785582343
Energy: 0.8734688776746329
Energy: 0.8780247140880341
Energy: 0.8739269337372922
Energy: 0.8744553649356873
Energy: 0.9407427285175091
Energy: 0.8737627916814423
Energy: 0.8587046093535289
Energy: 0.860479439583697
Energy: 0.8765167147806233
Energy: 0.8592810602581323
Energy: 0.9410293793639928
Energy: 0.8741196401256556
Energy: 0.8590603462372026
Energy: 0.8603147538886612
Energy: 0.8761644410708509
Energy: 0.8592581898582283
Energy: 1.023654753604391
Energy: 0.8752639556306316
Energy: 0.8747556672542293
Energy: 0.8744384092709778
Energy: 0.8777932689103941
Energy: 0.8742493001640776
Energy: 0.9805658684615451
Energy: 0.8840425291564641
Energy: 0.9398530059245872
Energy: 0.8805470427075724
Energy: 0.855221322490581
Energy: 0.872632416513571
Energy: 0.9446090463895529
Energy: 0.8729436139796675
Energy: 0.8711126921977442
Energy: 0.87729585885399
Energy: 0.8762758236627639
Energy: 0.8714514331372347
Energy: 0.9622167650407581
Energy: 0.8724650884218841
Energy: 0.8716212276408524
Energy: 0.8747546705336905
Energy: 0.8726613116743034
Energy: 0.870984601183764
Energy: 0.9442945342102256
Energy: 0.8595567407524534
Energy: 0.8704136796557078
Energy: 0.876926886895938
Energy: 0.8577676428800156
Energy: 0.8690511098414282
Energy: 1.016344586829334
Energy: 0.8596916397380303
Energy: 0.858314187005231
Energy: 0.8747381933458538
Energy: 0.8585565598630109
Energy: 0.8727132233222602
Energy: 0.9423606058620175
Energy: 0.8748817502707719
Energy: 0.8734802758198179
Energy: 0.867191584982801
Energy: 0.8780967105843532
Energy: 0.8729722810581056

minimum gb energy = 0.8547822457910976 eV
minimum distance =  2.37964228936776 Angstroms
sigma value = 9


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

Energy: 1.0373539499098903
Energy: 0.9625984268427327
Energy: 1.1592242918493858
Energy: 0.9356714116149569
Energy: 0.9310862970533025
Energy: 1.1609195567741477
Energy: 1.024214954216692
Energy: 0.8797211199923541
Energy: 0.8807932192810768
Energy: 0.8942140685786546
Energy: 0.878809846410009
Energy: 0.8764435712520221
Energy: 1.0139930093094864
Energy: 0.9023099810832622
Energy: 0.910081925427971
Energy: 0.9030178652701147
Energy: 0.9260430276126258
Energy: 0.9019557788193088
Energy: 0.952652174660212
Energy: 0.8771172656777813
Energy: 0.8950325893906289
Energy: 0.876345568491342
Energy: 0.8785584552049095
Energy: 0.895415739938583
Energy: 0.9864467354998431
Energy: 0.8846815691553592
Energy: 0.8834399294039588
Energy: 0.9024739254507653
Energy: 0.8873770221516305
Energy: 0.8839125791127842
Energy: 0.9497836836744813
Energy: 0.8782007682276278
Energy: 0.8762927315466542
Energy: 0.8853428462738461
Energy: 0.8809169065412109
Energy: 0.8765670280083524
Energy: 0.9498310237829776
Energy: 0.8991563563022846
Energy: 0.9001915272333305
Energy: 0.8956254053496735
Energy: 0.8967040802442351
Energy: 0.9001044495831537
Energy: 1.0109314016262378
Energy: 0.8772898827189843
Energy: 0.8783474479774211
Energy: 0.8807991399393457
Energy: 0.878988970241659
Energy: 0.8787285024449784
Energy: 0.9912694150625803
Energy: 0.8761204074379697
Energy: 0.8763929901705998
Energy: 0.9090763387957693
Energy: 0.8772109656844743
Energy: 0.9014134608527083
Energy: 0.9929480150232343
Energy: 0.8806881105764256
Energy: 0.8798776352596465
Energy: 0.9065425739431422
Energy: 0.8820032958177209
Energy: 0.8792229133782063
Energy: 1.0184337188862518
Energy: 0.882062776958175
Energy: 0.8808123324267949
Energy: 0.8790386493127617
Energy: 0.8846189050594708
Energy: 0.8812316746264759
Energy: 1.0004192717504976
Energy: 0.8980576218439261
Energy: 0.8977319079516255
Energy: 0.8791843723857387
Energy: 0.9010270278080647
Energy: 0.8804780099146197
Energy: 1.0086104406629905
Energy: 0.9022196642144663
Energy: 0.9132176284345652
Energy: 0.93302817034384
Energy: 0.9018742697171016
Energy: 0.9309176480904968
Energy: 1.0002499080194007
Energy: 0.8957502215409006
Energy: 0.8944228535467663
Energy: 0.9292914124789018
Energy: 0.8967779504726019
Energy: 0.8939575607692489
Energy: 1.0108060004050377
Energy: 0.8756497874358884
Energy: 0.8748000514721682
Energy: 0.8994453495662623
Energy: 0.8756328534482066
Energy: 0.899344804247342
Energy: 1.0041708998956211
Energy: 0.916329161943337
Energy: 0.8884776034553657
Energy: 0.9014799595413066
Energy: 0.9176195243133248
Energy: 0.8882799751600995
Energy: 0.9860112089017191
Energy: 0.8979510746055435
Energy: 0.8948732902741678
Energy: 0.8790815623311319
Energy: 0.9014897979229768
Energy: 0.8930918478827027
Energy: 0.9992991723800049
Energy: 0.9048679151507639
Energy: 0.9144622438002739
Energy: 0.9053141037499005
Energy: 0.921582759923006
Energy: 0.9147296131898254
Energy: 0.9959439134359784
Energy: 0.9187900294349187
Energy: 0.9002684783234134
Energy: 0.9060127486948277
Energy: 0.8759858471333073
Energy: 0.8984253490525406
Energy: 1.0883735441876248
Energy: 0.9196021071271506
Energy: 0.9163193039033227
Energy: 0.9164411921696481
Energy: 0.9253329141694067
Energy: 0.8988928462851202
Energy: 0.9840635437992468
Energy: 0.9006681482950295
Energy: 0.8935069185428107
Energy: 0.8799568563164218
Energy: 0.9035992961918153
Energy: 0.8942641550179804

minimum gb energy = 0.8748000514721682 eV
minimum distance =  2.36171353112205 Angstroms
sigma value = 27


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

Energy: 1.4864602712198485
Energy: 0.8879624518149298
Energy: 0.8861428616775552
Energy: 0.8872143138829164
Energy: 1.336835879841782
Energy: 0.920176088221813
Energy: 0.98889887099541
Energy: 0.9005403214222872
Energy: 0.8776119898850298
Energy: 0.881323608542272
Energy: 0.880284837757439
Energy: 0.879605972245402
Energy: 1.0747848988089126
Energy: 0.9287518285717616
Energy: 0.927950701485669
Energy: 0.9306867535696485
Energy: 0.8881611907789473
Energy: 0.9278976170258585
Energy: 0.9513381811887028
Energy: 0.904547709922235
Energy: 0.9039919622741736
Energy: 0.8803647454086556
Energy: 0.8793139512848046
Energy: 0.9039454477451693
Energy: 0.948939945245813
Energy: 0.8809085325929633
Energy: 0.879588249882789
Energy: 0.8699499733485132
Energy: 0.882873124685702
Energy: 0.878743010674438
Energy: 0.9357805219268414
Energy: 0.8999108355757689
Energy: 0.8983590289974883
Energy: 0.897973988957585
Energy: 0.9026809262747622
Energy: 0.8973040194214786
Energy: 0.9435665692585495
Energy: 0.9060814430536365
Energy: 0.8932558574125612
Energy: 0.8967257210236653
Energy: 0.9013245245128393
Energy: 0.8878189853193953
Energy: 1.017509236075628
Energy: 0.8989507090604987
Energy: 0.8969129733392492
Energy: 0.9018336440766492
Energy: 0.9020778175157886
Energy: 0.896151711026639
Energy: 1.0491909792836802
Energy: 0.9062016424440178
Energy: 0.9059408388305051
Energy: 0.9101257287018362
Energy: 0.9069545322616294
Energy: 0.8986368072182901
Energy: 1.04912863480145
Energy: 0.8992969235991338
Energy: 0.898573310956043
Energy: 0.9056279005906344
Energy: 0.9087208931151125
Energy: 0.8999430333674804
Energy: 1.0959555597882045
Energy: 0.8970902787020252
Energy: 0.8963269982238976
Energy: 0.897030151875148
Energy: 0.8686234670293048
Energy: 0.8948117586775826
Energy: 0.978512209831985
Energy: 0.8921725201509553
Energy: 0.8927227003748163
Energy: 0.8923795284554622
Energy: 0.8937277242006535
Energy: 0.8889395528430497
Energy: 0.976838023451062
Energy: 0.8921928379056814
Energy: 0.892668487287582
Energy: 0.8979897286723819
Energy: 0.892176482723947
Energy: 0.8949172005648028
Energy: 0.980467214982534
Energy: 0.8907226776709605
Energy: 0.8915055353057443
Energy: 0.8923565719390427
Energy: 0.8861384121187078
Energy: 0.8927166395860632
Energy: 0.9767833273767197
Energy: 0.8821850295918967
Energy: 0.8819556551164506
Energy: 0.8851439997583879
Energy: 0.8832408783893438
Energy: 0.8849366980196504
Energy: 0.9615582918872625
Energy: 0.8977754723085273
Energy: 0.9050098565381075
Energy: 0.9148015934306233
Energy: 0.8816264676988753
Energy: 0.8906339212731407
Energy: 0.950180528771818
Energy: 0.8955420517047763
Energy: 0.8954152628939192
Energy: 0.8686077950851587
Energy: 0.8974081792446382
Energy: 0.8936590530339698
Energy: 1.0133099397380554
Energy: 0.894624408159685
Energy: 0.894730273184743
Energy: 0.9066133495425712
Energy: 0.8954985509843405
Energy: 0.9079708399698243
Energy: 0.9390832971806685
Energy: 0.8959946978990545
Energy: 0.8967574917154406
Energy: 0.890872999107096
Energy: 0.8959673852599048
Energy: 0.8930644280508098
Energy: 1.0190482711384807
Energy: 0.897012417785559
Energy: 0.896215773953557
Energy: 0.8907655043592698
Energy: 0.8964982345410328
Energy: 0.8961890090189862
Energy: 1.044503260191255
Energy: 0.897855325624655
Energy: 0.9024673128077889
Energy: 0.9001659688365117
Energy: 0.8925824710537992
Energy: 0.9024504286505006
Energy: 0.9977437780035421
Energy: 0.9022437583224518
Energy: 0.9020359323615711
Energy: 0.912072650922249
Energy: 0.9029536006293145
Energy: 0.9035598038191507
Energy: 1.023257765996792
Energy: 0.906482654641586
Energy: 0.905083327167092
Energy: 0.906575403905534
Energy: 0.9055785704692594
Energy: 0.9050507233678983
Energy: 1.0583914947137822
Energy: 0.9205189253023276
Energy: 0.9132955746391646
Energy: 0.917981095581984
Energy: 0.9230826066193085
Energy: 0.9128230311764081
Energy: 0.9893475609617509
Energy: 0.8777682794509662
Energy: 0.8766701209145177
Energy: 0.8919101581644429
Energy: 0.8792656223372779
Energy: 0.8875243539127997

minimum gb energy = 0.8686077950851587 eV
minimum distance =  2.36982254344786 Angstroms
sigma value = 19


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

Energy: 1.0268030966491746
Energy: 0.8429486923956007
Energy: 0.8665511439351893
Energy: 0.8852741166353915
Energy: 0.8625326134219369
Energy: 0.8610303729620222
Energy: 1.0086411395041306
Energy: 0.8780480602083481
Energy: 0.8741649793312818
Energy: 0.8740556064727553
Energy: 0.8698228332624867
Energy: 0.8731948280278738
Energy: 1.0144698984525955
Energy: 0.8828562736963248
Energy: 0.8824816294705586
Energy: 0.8571093811839702
Energy: 0.873622806334263
Energy: 0.8824912872415597
Energy: 0.9339475049094816
Energy: 0.8772323099357404
Energy: 0.8784770116864042
Energy: 0.8738097624544794
Energy: 0.8755751358316923
Energy: 0.8888904672627955
Energy: 0.9720523916039716
Energy: 0.9001838618186996
Energy: 0.9003480528432722
Energy: 0.8930627990856196
Energy: 0.8662057409769932
Energy: 0.8879458416411493
Energy: 0.9416637677144957
Energy: 0.8742414486438558
Energy: 0.8727543647937496
Energy: 0.859522115699834
Energy: 0.8728890999030104
Energy: 0.890966536164182
Energy: 0.9587007998517317
Energy: 0.883629450386282
Energy: 0.8755013558701196
Energy: 0.8521308734395346
Energy: 0.8679317070642093
Energy: 0.8750720680568164
Energy: 0.9316778571167208
Energy: 0.873613143074988
Energy: 0.8743268475154308
Energy: 0.8429244312267791
Energy: 0.873693244164236
Energy: 0.8725657048219368
Energy: 0.9419934875886408
Energy: 0.8701346806465741
Energy: 0.8709989548035362
Energy: 0.8713001180763372
Energy: 0.8697933728133392
Energy: 0.872470087377733
Energy: 0.9307324914621559
Energy: 0.8750197426144954
Energy: 0.8752210661710375
Energy: 0.8669378677972917
Energy: 0.863127589811022
Energy: 0.8771888867325649
Energy: 0.9360510039963601
Energy: 0.8765084154373961
Energy: 0.8708923136565565
Energy: 0.8741863092868188
Energy: 0.8575708972106744
Energy: 0.8706964445489503
Energy: 0.9905567775353442
Energy: 0.8596589257852304
Energy: 0.880435151756667
Energy: 0.8779022672758123
Energy: 0.8624952081252628
Energy: 0.8847436254263024
Energy: 0.9303797715871553
Energy: 0.8584302859399676
Energy: 0.8611797999073615
Energy: 0.8632351770559825
Energy: 0.8597839194002733
Energy: 0.8612096373101245
Energy: 0.953732202562586
Energy: 0.8776443354468831
Energy: 0.8828962873514385
Energy: 0.8680624035281987
Energy: 0.848822267650038
Energy: 0.8767567464506079
Energy: 1.0009624598660023
Energy: 0.8471721463101639
Energy: 0.8477950865349609
Energy: 0.854599178126656
Energy: 0.8470883943428787
Energy: 0.8547277190063791
Energy: 0.9608313509473675
Energy: 0.8706255024805263
Energy: 0.869726012838937
Energy: 0.867741620049978
Energy: 0.8700307315165324
Energy: 0.8715304810257695
Energy: 0.9681678234288406
Energy: 0.8764488248088801
Energy: 0.8656432986263513
Energy: 0.8571319086790702
Energy: 0.8790385764279004
Energy: 0.8894601565424759
Energy: 0.9399325692743503
Energy: 0.8595536181452612
Energy: 0.8658909301282771
Energy: 0.8679272064357185
Energy: 0.8526801706987063
Energy: 0.8678526483302365
Energy: 0.9571688638034176
Energy: 0.8688521902712598
Energy: 0.8650895510996953
Energy: 0.861431404680044
Energy: 0.8635701357969077
Energy: 0.8667200876278439
Energy: 0.9213494958201992
Energy: 0.8672605690677571
Energy: 0.8654225352442744
Energy: 0.8613661020264001
Energy: 0.8657787064917777
Energy: 0.8663470719781546
Energy: 0.9240479360154319
Energy: 0.8665677534678692
Energy: 0.8692383170817858
Energy: 0.866377846764242
Energy: 0.8613678020271868
Energy: 0.8666929679226069
Energy: 0.922580411395849
Energy: 0.8845288744330577
Energy: 0.8565165805001906
Energy: 0.8641906696261028
Energy: 0.8638538071868342
Energy: 0.8731163413208691
Energy: 0.9496400799463975
Energy: 0.8657012633464757
Energy: 0.8655397542388726
Energy: 0.8699029259148283
Energy: 0.8621455378574917
Energy: 0.8644265928009341
Energy: 0.9510564973713714
Energy: 0.861555633105856
Energy: 0.8769967598398929
Energy: 0.8710269984846368
Energy: 0.8590561242013066
Energy: 0.8650996281063438
Energy: 0.9390491683990067
Energy: 0.8455023963347665
Energy: 0.8652643688213414
Energy: 0.8560194495556863
Energy: 0.8593436425217034
Energy: 0.8659752141369756
Energy: 0.952927143926814
Energy: 0.8642119391500332
Energy: 0.8676750871953165
Energy: 0.8712965595772737
Energy: 0.8647448752419226
Energy: 0.8678645038317333
Energy: 0.9617500212523042
Energy: 0.878615652226764
Energy: 0.8790968652386376
Energy: 0.8711237159286264
Energy: 0.8806121799502363
Energy: 0.8790560436318867
Energy: 1.0775654596038335
Energy: 0.8672771943650495
Energy: 0.8684967809717705
Energy: 0.8462120793447168
Energy: 0.8669208786857917
Energy: 0.8685561801025337
Energy: 0.9355741633144485
Energy: 0.8766131903452495
Energy: 0.8739606883613907
Energy: 0.8648360205217683
Energy: 0.8705155461799887
Energy: 0.864540091257555

minimum gb energy = 0.8429244312267791 eV
minimum distance =  2.3521448674919 Angstroms
sigma value = 101


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

Energy: 0.9225187200103714
Energy: 0.8348847643068341
Energy: 0.8321857781846191
Energy: 1.1544808862481732
Energy: 0.8603737662417728
Energy: 0.8526577882530995
Energy: 0.9294902646332368
Energy: 0.8291358239966873
Energy: 0.8142985473020089
Energy: 0.8264056663520125
Energy: 0.8246658989755773
Energy: 0.8495876300238808
Energy: 0.954295497413954
Energy: 0.8399260690791085
Energy: 0.8424682044167335
Energy: 0.8333194103281365
Energy: 0.8268849440877438
Energy: 0.8420445895066953
Energy: 0.9181132455339566
Energy: 0.8349308189630174
Energy: 0.8466947396054474
Energy: 0.8357033050149576
Energy: 0.8359364469864935
Energy: 0.8461131306574059
Energy: 0.9249896967124355
Energy: 0.8415209422753623
Energy: 0.8415257399778278
Energy: 0.8339063400344665
Energy: 0.8383777933611866
Energy: 0.8359366843056657
Energy: 0.9153748764413153
Energy: 0.8489363064631734
Energy: 0.8474608868773367
Energy: 0.8243794514562167
Energy: 0.8369411990650709
Energy: 0.8472137588877955
Energy: 0.9176792490641458
Energy: 0.8369804407509955
Energy: 0.8335001068338748
Energy: 0.8368866082180197
Energy: 0.8379370490102783
Energy: 0.83264063402216
Energy: 0.8945131582938359
Energy: 0.8377146078313618
Energy: 0.8354136244481606
Energy: 0.8246655627057614
Energy: 0.8332323205209948
Energy: 0.8274644746769649
Energy: 0.899681528520724
Energy: 0.8282993166712772
Energy: 0.8244865516415036
Energy: 0.8260468216195515
Energy: 0.8291670667231961
Energy: 0.8238593471404071
Energy: 0.906577787327968
Energy: 0.8507854877736267
Energy: 0.8497356310150044
Energy: 0.8235975004832553
Energy: 0.8446136629028566
Energy: 0.8415033362934223
Energy: 0.9116445712474527
Energy: 0.8437298118863003
Energy: 0.8390914693500165
Energy: 0.8373565780820037
Energy: 0.8434858049412058
Energy: 0.8382117437047888
Energy: 0.9292372959850552
Energy: 0.823946482063932
Energy: 0.8416292032460214
Energy: 0.8359210248767047
Energy: 0.8251595969586666
Energy: 0.8419142562377168
Energy: 0.9114565158017126
Energy: 0.820584949965615
Energy: 0.836247082875794
Energy: 0.8435483384793637
Energy: 0.8210319360746634
Energy: 0.8360257681696293
Energy: 0.9102563561186373
Energy: 0.8193716177373107
Energy: 0.8283639227231966
Energy: 0.8230577896855177
Energy: 0.8341330542796483
Energy: 0.8291017511354887
Energy: 0.9315390950679552
Energy: 0.8276503920354794
Energy: 0.8311793290626731
Energy: 0.8218212015233605
Energy: 0.8260501737051523
Energy: 0.82602604769802
Energy: 1.042314228658189
Energy: 0.8233082710324731
Energy: 0.8232267362080778
Energy: 0.8422318740279682
Energy: 0.8246309540171484
Energy: 0.8466778533085881
Energy: 0.8969179682150035
Energy: 0.8421473059783758
Energy: 0.8349562149471218
Energy: 0.8527545175026506
Energy: 0.8359459235851209
Energy: 0.8400224842421672
Energy: 0.9293693008230455
Energy: 0.8160125636237777
Energy: 0.8163068499561883
Energy: 0.8327193112369238
Energy: 0.825655226831489
Energy: 0.8303074432694152
Energy: 0.9548843284922568
Energy: 0.8350908822830889
Energy: 0.8354195233952908
Energy: 0.8322886962500967
Energy: 0.8249662756765445
Energy: 0.8356257897434783
Energy: 0.9143830179065483
Energy: 0.8348414801560672
Energy: 0.8349217240655165
Energy: 0.8294031422383049
Energy: 0.8253317886227308
Energy: 0.8356306637043224
Energy: 0.9209032228821186
Energy: 0.8370646982731078
Energy: 0.8419986975232379
Energy: 0.8333649651336419
Energy: 0.8250602228589435
Energy: 0.8386579025738481
Energy: 0.9049161377266658
Energy: 0.8248001742294566
Energy: 0.8277466367886906
Energy: 0.8245637870491759
Energy: 0.8251776228445509
Energy: 0.8351367286762832
Energy: 0.924696939083797
Energy: 0.8291590058404641
Energy: 0.826807307388863
Energy: 0.8235972401576109
Energy: 0.8314360889440476
Energy: 0.8258620792712925
Energy: 0.8946989994214443
Energy: 0.8327959679440752
Energy: 0.8275886676952099
Energy: 0.8241677741241556
Energy: 0.827304624017245
Energy: 0.8271265898196483
Energy: 0.892592283851969
Energy: 0.8258072650827937
Energy: 0.8235309802926949
Energy: 0.8253689690220098
Energy: 0.8256337506036705
Energy: 0.8234852707795799
Energy: 0.909246213311689
Energy: 0.8247038544852855
Energy: 0.84493358051356
Energy: 0.8342558684535664
Energy: 0.8315880071973721
Energy: 0.8361133773076409
Energy: 0.9121219011774354
Energy: 0.8282269083869873
Energy: 0.8311749636944241
Energy: 0.8206400558535909
Energy: 0.8153745961899177
Energy: 0.830777162785415
Energy: 0.9290588013986119
Energy: 0.8148277127839489
Energy: 0.8306453916719228
Energy: 0.8206880187968246
Energy: 0.8095585306936334
Energy: 0.8358444259825538
Energy: 0.8992111185664547
Energy: 0.8192762064697591
Energy: 0.8285006166197054
Energy: 0.8232157949342591
Energy: 0.8207688787495778
Energy: 0.8286332317716191
Energy: 0.9101665631444004
Energy: 0.8281022233748027
Energy: 0.8280375751958147
Energy: 0.820506835876844
Energy: 0.8209629113460818
Energy: 0.8286332325077628
Energy: 0.9305899337855922
Energy: 0.831246893811471
Energy: 0.8339938343609803
Energy: 0.8334517138080103
Energy: 0.8297207803688786
Energy: 0.8408407034703018
Energy: 1.0447056569519286
Energy: 0.8266070100106961
Energy: 0.8241796734675633
Energy: 0.8254526101869473
Energy: 0.8254053010610309
Energy: 0.8234130577721411
Energy: 0.8900325667171767
Energy: 0.8252011585557582
Energy: 0.8104586729463621
Energy: 0.8140908261967583
Energy: 0.8330854023450076
Energy: 0.8113663124752256

minimum gb energy = 0.8095585306936334 eV
minimum distance =  2.36775333716677 Angstroms
sigma value = 33


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

Energy: 0.011083504780711776
Energy: 0.011772953747964466
Energy: 0.01169254293637406
Energy: 0.012676729274041383
Energy: 0.8685000995242006
Energy: 0.011647531463060062
Energy: 0.011770465039849102
Energy: 0.10867876838881567
Energy: 0.10880222625816008
Energy: 0.11127680000481252
Energy: 0.11015253470777917
Energy: 0.1086452247057547
Energy: 1.1855887555495783
Energy: 0.8752337914975561
Energy: 0.8679497229987352
Energy: 0.873145110276678
Energy: 0.8717652965819822
Energy: 0.8673777465267488
Energy: 0.4248927790489531
Energy: 0.10867876838881567
Energy: 0.10880222625816008
Energy: 0.11127680000481252
Energy: 0.11015253470819374
Energy: 0.1086452247057547

minimum gb energy = 0.011083504780711776 eV
minimum distance =  2.53369181730542 Angstroms
sigma value = 1