Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Pd__MO_993644691224_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.890355840325356
cohesive_energy=3.910303178966872
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.24891270796934e-19, 1.9108199407737599e-19, 2.43051797554434e-19, 2.88507150837648e-19, 3.3047776994191197e-19, 3.6932574678650994e-19, 4.04490319549542e-19, 4.3576000091532e-19, 4.63407160911624e-19, 4.878499676399279e-19, 5.094777500222939e-19, 5.28612545562156e-19, 5.45515509050856e-19, 5.60412547393788e-19, 5.73494319610398e-19, 5.84925849893988e-19, 5.948401189051799e-19, 6.03338063771916e-19, 6.104821693829219e-19, 6.162932640344399e-19, 6.207745520797379e-19, 6.239452596384239e-19, 6.25827817183374e-19, 6.26449461717366e-19, 6.25776547531086e-19, 6.235975873088459e-19, 6.19672254555546e-19, 6.137025444172619e-19, 6.05012338354446e-19, 5.9302164842559e-19, 5.7712004533314e-19, 5.56576936531992e-19, 5.305095226968119e-19, 4.97823517186578e-19, 4.57142650272684e-19, 4.06702925481096e-19, 3.4420361716539e-19, 2.6661020278076996e-19, 1.6988679938618996e-19, 4.8665955040086594e-20, -1.041998004394776e-19, -2.98350924076944e-19, -5.4699111373077e-19, -8.686200621231e-19, -1.2896528554186919e-18, -1.8485433350101798e-18, -2.6030563772598e-18, -3.6443109716963995e-18, -5.0822645007114e-18, -7.10663069953674e-18, -1.0085077062142739e-17, -1.4727656229185518e-17, -2.2569061154841e-17, -3.7452641214047395e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013022517100914288
Energy: 0.013906977760141956
Energy: 0.6635019969934807
Energy: 0.09754637687091806
Energy: 0.01390697776065344
Energy: 0.680106882981663
Energy: 0.09754637687091806
Energy: 0.680106882981663
Energy: 0.6635019969939921
Energy: 0.09754637687091806
Energy: 0.013022517100914288
Energy: 0.01390697776065344
Energy: 0.09754637687091806
Energy: 0.680106882981663
Energy: 0.01390697776065344
Energy: 0.680106882981663

minimum gb energy = 0.013022517100914288 eV
minimum distance =  2.69015370579547 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.2709569173251605
Energy: 0.8276903229070707
Energy: 0.8957909327193362
Energy: 0.8940738487674766
Energy: 0.853518377705779
Energy: 0.9013825584316636
Energy: 0.8391675551170645
Energy: 0.9013825584323204
Energy: 0.8954196813161429
Energy: 0.8951319953099708
Energy: 1.3847008569537842
Energy: 0.8951319953099708
Energy: 0.8419823231129946
Energy: 0.8412681785283994
Energy: 0.8389932636651843
Energy: 0.8412681785277426
Energy: 1.17897577686905
Energy: 0.8398532416433773
Energy: 0.8424792043749997
Energy: 0.8398532416433773
Energy: 0.8779803340358007
Energy: 0.9244952031426857
Energy: 0.8401481079661475
Energy: 0.9244952031439994
Energy: 0.8793958572331791
Energy: 0.8864195518997466
Energy: 0.8773330890624874
Energy: 0.8864195518997466
Energy: 0.8820068808324358
Energy: 0.9123605311261913
Energy: 0.9036682356503223
Energy: 0.9123605311268481
Energy: 0.8922440362172482
Energy: 0.9023156972603734
Energy: 0.893015081518366
Energy: 0.9023156972610302
Energy: 0.9109838366684279
Energy: 0.9084755122898749
Energy: 0.8938706661024853
Energy: 0.9084755122898749
Energy: 0.8910520536963449
Energy: 0.9019007230209729
Energy: 0.8929479382481669
Energy: 0.9019007230203161
Energy: 0.8793601403453982
Energy: 0.9001355516257986
Energy: 0.9138311302893377
Energy: 0.9001355516257986
Energy: 0.8990910093662471
Energy: 0.8858452094518252
Energy: 0.8547040479781084
Energy: 0.8858452094531388
Energy: 0.8774289808975958
Energy: 0.887501854676825
Energy: 0.8834982251172229
Energy: 0.8875018546755113
Energy: 0.8560691624129716
Energy: 0.8397783693947926
Energy: 0.8401011257790445
Energy: 0.8397783693941357
Energy: 0.8586848648931794
Energy: 0.8400016388592592
Energy: 0.838765508125486
Energy: 0.8400016388592592
Energy: 0.8947733741076215
Energy: 0.8941660031407297
Energy: 0.8235276580223889
Energy: 0.8941660031407297
Energy: 0.8390737905058532
Energy: 0.8402289319168779
Energy: 0.8542000763108125
Energy: 0.8402289319188483
Energy: 0.8402518913790616
Energy: 0.8951975762528467
Energy: 0.8944639518528699
Energy: 0.8951975762515331
Energy: 0.8770554161781461
Energy: 0.8400275094179639
Energy: 0.8419302911257727
Energy: 0.8400275094173071
Energy: 0.8420342492486723
Energy: 0.8419017352897661
Energy: 0.8772419576558063
Energy: 0.8419017352910796
Energy: 0.8407965192840978
Energy: 0.8409850657960266
Energy: 0.8777082962975304
Energy: 0.8409850657953698
Energy: 0.8768785591858304
Energy: 0.8865374698923059
Energy: 0.8776174732816585
Energy: 0.886537469891649
Energy: 0.9037593812346651
Energy: 0.887448766759449
Energy: 0.8793238843147176
Energy: 0.8874487667581353
Energy: 0.8934333569182618
Energy: 0.9024041766622137
Energy: 0.8923368886125376
Energy: 0.9024041766628706
Energy: 0.8958293065196018
Energy: 0.8997174700572588
Energy: 0.9128583748578887
Energy: 0.8997174700579155
Energy: 0.8930211703905413
Energy: 0.901582185664469
Energy: 0.8909075223381316
Energy: 0.9015821856657826
Energy: 0.9152933089601097
Energy: 0.9001779440907037
Energy: 0.879024745265677
Energy: 0.9001779440913605
Energy: 0.854752408791854
Energy: 0.8858382122824271
Energy: 0.8998169770644605
Energy: 0.8858382122817702
Energy: 0.8837677331267707
Energy: 0.8868118018614074
Energy: 0.8777524268019445
Energy: 0.8868118018646914
Energy: 0.8394516365126854
Energy: 0.8397593097404756
Energy: 0.8557781121155917
Energy: 0.8397593097417893
Energy: 0.8395602747778776
Energy: 0.839937622341911
Energy: 0.8589925102721649
Energy: 0.8399376223425679
Energy: 0.8231118727678084
Energy: 0.8418149758134589
Energy: 0.8950903932993893
Energy: 0.8418149757911574

minimum gb energy = 0.8231118727678084 eV
minimum distance =  2.43675152821164 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.4515846821604075
Energy: 0.8614515518159671
Energy: 0.9381694942303416
Energy: 0.9389728187283379
Energy: 0.9000586013082955
Energy: 0.9419853663890441
Energy: 0.8794564880325484
Energy: 0.9419853663867974
Energy: 0.9374281900798884
Energy: 0.9404249926037113
Energy: 0.8790090434528304
Energy: 0.9404249926014645
Energy: 0.8825676862466684
Energy: 0.879949682010489
Energy: 0.879364266580827
Energy: 0.8799496820082424
Energy: 0.8803928962930664
Energy: 0.8792715916406255
Energy: 0.880150943980175
Energy: 0.8792715916398766
Energy: 0.9256706932443288
Energy: 0.9920498454756326
Energy: 0.8793681438223059
Energy: 0.9920498454741349
Energy: 0.9275379812581579
Energy: 0.9374905283440808
Energy: 0.9248758358453595
Energy: 0.9374905283433319
Energy: 0.9274189415330415
Energy: 0.9405278842039867
Energy: 0.9639868221214241
Energy: 0.9405278842062333
Energy: 0.9259754586027811
Energy: 0.9528141908937853
Energy: 0.9362259783134121
Energy: 0.9528141908915726
Energy: 0.9625113977515927
Energy: 0.9546817462106261
Energy: 0.9304388876134857
Energy: 0.9546817462091283
Energy: 0.9009041964158612
Energy: 0.9366668075849333
Energy: 0.9288716783513667
Energy: 0.9366668075849333
Energy: 0.901358928479192
Energy: 0.9385069514030865
Energy: 0.9262495457744213
Energy: 0.9385069514000912
Energy: 0.8806389529733656
Energy: 0.8791523441352865
Energy: 0.9007341466418154
Energy: 0.8791523441292955
Energy: 0.8788218919697366
Energy: 0.8791146724299722
Energy: 0.8580991961933356
Energy: 0.8791146724284745
Energy: 0.8570425790795951
Energy: 0.9394207962572231
Energy: 0.9402841004303367
Energy: 0.9394207962594697
Energy: 0.9010194451744902
Energy: 0.8794190748468372
Energy: 0.8791297828946574
Energy: 0.8794190748438416
Energy: 0.9397841608114439
Energy: 0.9390115067902304
Energy: 0.8785511939162813
Energy: 0.9390115067954385
Energy: 0.8822582274031061
Energy: 0.8794035809162619
Energy: 0.9247047982752717
Energy: 0.8794035809110198
Energy: 0.8788311510363881
Energy: 0.8831776919300508
Energy: 0.8832641511628754
Energy: 0.8831776919293017
Energy: 0.9256141334027922
Energy: 0.8797114443254321
Energy: 0.8793178860447313
Energy: 0.8797114443254321
Energy: 0.9262833955639306
Energy: 0.9386853746025351
Energy: 0.9252211861224908
Energy: 0.9386853745987906
Energy: 0.9255644596883058
Energy: 0.9389126366362849
Energy: 0.9633760212412253
Energy: 0.9389126366325405
Energy: 0.9258354193509927
Energy: 0.9530888207048571
Energy: 0.9360272707467513
Energy: 0.9530888207048571
Energy: 0.9620108068817256
Energy: 0.9533232274878227
Energy: 0.9269822499780568
Energy: 0.9533232274885716
Energy: 0.9005477300612352
Energy: 0.936337906823618
Energy: 0.9603897687035987
Energy: 0.9363379068251156
Energy: 0.9008792381192372
Energy: 0.9380594743870193
Energy: 0.926007184764645
Energy: 0.9380594743877682
Energy: 0.8798143030264162
Energy: 0.8790208015730737
Energy: 0.9007263172744898
Energy: 0.8790208015723247
Energy: 0.8789610125919024
Energy: 0.8793116854601772
Energy: 0.857390836456531
Energy: 0.8793116854579306
Energy: 0.8571303181005538
Energy: 0.8820638562112009
Energy: 0.9407946272231272
Energy: 0.8820638562134475

minimum gb energy = 0.8570425790795951 eV
minimum distance =  2.43651050524948 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.3853646157642143
Energy: 0.8976398579286167
Energy: 0.9877342932615748
Energy: 0.9863712562579046
Energy: 0.9561396005197622
Energy: 0.9838671201779212
Energy: 0.9244542174088376
Energy: 0.9838671201779212
Energy: 0.986150709295122
Energy: 0.9872275230592262
Energy: 0.9239797309372655
Energy: 0.9872275230592262
Energy: 0.9285906620822467
Energy: 0.9246609427911017
Energy: 0.9253453725551691
Energy: 0.9246609427928427
Energy: 0.9238093503512566
Energy: 0.9243439946702727
Energy: 0.9254166142059995
Energy: 0.9243439946702727
Energy: 0.9762402852094514
Energy: 1.031512026956616
Energy: 0.9243618630714296
Energy: 1.0315120269557454
Energy: 0.9733993690296983
Energy: 1.001551212159645
Energy: 0.9711145235331845
Energy: 1.001551212159645
Energy: 0.9723502475344223
Energy: 1.0035054435693218
Energy: 1.0204001857003917
Energy: 1.0035054435693218
Energy: 0.9732852581024963
Energy: 1.0006595340961513
Energy: 0.9569436532996669
Energy: 1.0006595340952806
Energy: 0.9730059033358016
Energy: 1.001632194460748
Energy: 0.9247206237789984
Energy: 1.001632194460748
Energy: 0.891452552989538
Energy: 0.9241150912483839
Energy: 0.9233444076265562
Energy: 0.9241150912483839
Energy: 0.8914067205634112
Energy: 0.9241134012166753
Energy: 0.9245598941938304
Energy: 0.9241134012175459
Energy: 0.9873563099345065
Energy: 0.9877020998918271
Energy: 0.8906684632295816
Energy: 0.9877020998918271
Energy: 0.9247756706585898
Energy: 0.9245150929284018
Energy: 0.956158589224902
Energy: 0.9245150929275312
Energy: 0.9229994229372349
Energy: 0.9882454061460075
Energy: 0.9893564500785738
Energy: 0.9882454061460075
Energy: 0.9280892601965754
Energy: 0.9244897622561655
Energy: 0.9279890100836864
Energy: 0.924489762257036
Energy: 0.9240094644491735
Energy: 0.9276488143603548
Energy: 0.9232909750614751
Energy: 0.9276488143603548
Energy: 0.9244790868612284
Energy: 0.9242771562015181
Energy: 0.9752117144349073
Energy: 0.9242771562015181
Energy: 0.971033765923577
Energy: 1.0038294489836257
Energy: 0.9757096466660568
Energy: 1.0038294489836257
Energy: 0.9632504075811861
Energy: 1.003174666448063
Energy: 0.9737825540156662
Energy: 1.003174666448063
Energy: 0.9562000822625589
Energy: 1.0006857570690184
Energy: 0.9732974716426909
Energy: 1.0006857570690184
Energy: 0.9567049174729211
Energy: 1.0013994190527358
Energy: 0.972909173044648
Energy: 1.0013994190527358
Energy: 0.9227411527616388
Energy: 0.9240294388950756
Energy: 0.8915603524115595
Energy: 0.9240294388942051
Energy: 0.9243353432573106
Energy: 0.9242954617520381
Energy: 0.8912731304545081
Energy: 0.9242954617520381
Energy: 0.8907028144449971
Energy: 0.927421162305893
Energy: 0.9888070351747351
Energy: 0.927421162305893

minimum gb energy = 0.8906684632295816 eV
minimum distance =  2.43248372821178 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.3937685824759742
Energy: 0.9922235250170235
Energy: 1.0567267633835251
Energy: 1.0557022742789424
Energy: 1.0063131245758796
Energy: 1.0437923306003545
Energy: 0.9969882636874334
Energy: 1.0437923306013932
Energy: 1.059071014322529
Energy: 1.058812757237999
Energy: 1.1108636583043523
Energy: 1.0588127572390376
Energy: 0.9956924953325225
Energy: 1.045634504807087
Energy: 0.9965682975819986
Energy: 1.0456345048091642
Energy: 0.9526606640270998
Energy: 1.0001486655195337
Energy: 0.9971182622615296
Energy: 1.0001486655184952
Energy: 0.9964148423001898
Energy: 0.998116355055371
Energy: 0.99819124749947
Energy: 0.9981163550564095
Energy: 1.007505030050798
Energy: 1.0847049768287023
Energy: 0.9970095883015215
Energy: 1.0847049768297408
Energy: 1.0356883681382065
Energy: 1.0832987064706885
Energy: 1.0076852850790279
Energy: 1.0832987064717268
Energy: 1.0552582192312823
Energy: 1.0571019522404146
Energy: 0.9849223066565671
Energy: 1.0571019522435061
Energy: 1.019442343552196
Energy: 1.0288008884859092
Energy: 0.9565880844174054
Energy: 1.0288008884848707
Energy: 0.9196612791933668
Energy: 0.9410311156395099
Energy: 0.9403002035318628
Energy: 0.9410311156405483
Energy: 1.0222714684724374
Energy: 0.9207625951491697
Energy: 0.9413283361893124
Energy: 0.9207625951470928
Energy: 1.1153727440266863
Energy: 1.1140243572694963
Energy: 1.1112049538676707
Energy: 1.1140243572705348
Energy: 1.0334264459264941
Energy: 1.0281066501706113
Energy: 1.0073137122377316
Energy: 1.0281066501726885
Energy: 0.952831929721902
Energy: 1.006548220083974
Energy: 0.9936963181633907
Energy: 1.0065482200829354
Energy: 1.0276605710544664
Energy: 1.006323501048219
Energy: 0.9932140678210103
Energy: 1.0063235010471805
Energy: 1.0071832883470908
Energy: 1.1038685087593583
Energy: 0.9937761081347878
Energy: 1.1038685087593583
Energy: 1.007408835119554
Energy: 1.1038622470173574
Energy: 0.9931211024455874
Energy: 1.1038622470173574
Energy: 0.9969437716281258
Energy: 0.9977989894982423
Energy: 0.9851501533806805
Energy: 0.9977989894961652
Energy: 0.9974747981714048
Energy: 0.9978669036984148
Energy: 0.9848273685574618
Energy: 0.9978669036984148
Energy: 0.9848398437031354
Energy: 1.0319693961222667
Energy: 1.0577644289799921
Energy: 1.0319693961212284

minimum gb energy = 0.9196612791933668 eV
minimum distance =  2.4230308446305 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.144533463577312
Energy: 0.9579198481729128
Energy: 1.0912830126364024
Energy: 1.0894510434457325
Energy: 1.0901952751465596
Energy: 1.0235440425261466
Energy: 0.9756620119664587
Energy: 1.0235440425248623
Energy: 1.090031218651118
Energy: 1.0899013556366537
Energy: 1.085799881312055
Energy: 1.0899013556353985
Energy: 0.9520485744223541
Energy: 1.024500315083225
Energy: 0.975508951649894
Energy: 1.024500315083225
Energy: 0.9729367860037608
Energy: 1.0604222322245587
Energy: 0.9759982036718493
Energy: 1.0604222322245587
Energy: 0.9505089637320039
Energy: 1.0631574317203427
Energy: 0.974555948050182
Energy: 1.063157431721627
Energy: 0.9458296192932389
Energy: 1.0604524847283177
Energy: 0.9760952834584662
Energy: 1.0604524847283177
Energy: 0.9459598132811065
Energy: 0.9785474111557606
Energy: 0.9794769804795186
Energy: 0.9785474114536046
Energy: 1.091136988052267
Energy: 1.0912452242974902
Energy: 1.2311768768309668
Energy: 1.0912452242974902
Energy: 1.0923715186605356
Energy: 1.061904516484112
Energy: 0.9472434628600352
Energy: 1.061904516484112
Energy: 1.085729674348973
Energy: 1.0902104113704039
Energy: 1.0899561378884846
Energy: 1.0902104113704039
Energy: 1.0879675326223706
Energy: 1.0253082185133768
Energy: 1.093118669690439
Energy: 1.0253082185133768
Energy: 0.9754612236562186
Energy: 1.075104968333658
Energy: 0.9726920006545867
Energy: 1.075104968333658
Energy: 0.9768497470176829
Energy: 1.0623175518873031
Energy: 0.9524962057913774
Energy: 1.0623175518873031
Energy: 0.9762027344302109
Energy: 1.0618082129192778
Energy: 0.945929297869292
Energy: 1.0618082129154542
Energy: 0.9755240420988197
Energy: 1.0599940725881662
Energy: 0.9460738316975127
Energy: 1.0599940726061174
Energy: 1.217707907943724
Energy: 0.9516537630264391
Energy: 1.0928436147046758
Energy: 0.9516537630264391

minimum gb energy = 0.9458296192932389 eV
minimum distance =  2.51122700446237 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.5802829555605116
Energy: 1.1172512256911287
Energy: 1.1979300576915783
Energy: 1.195882741139656
Energy: 0.9751424864311852
Energy: 1.048639826506719
Energy: 1.140776919554363
Energy: 1.048639826505264
Energy: 1.0424499539200311
Energy: 1.0411687200202162
Energy: 1.1093748705630777
Energy: 1.0411687200202162
Energy: 1.0412403924191593
Energy: 1.0920135108420244
Energy: 1.0455355702207891
Energy: 1.0920135108420244
Energy: 1.043674291528298
Energy: 1.1340248940983004
Energy: 0.9753560251266847
Energy: 1.1340248940990278
Energy: 1.0475237404438291
Energy: 1.094801820226587
Energy: 1.0420721926069243
Energy: 1.0948018201887635
Energy: 1.1032985512133093
Energy: 1.0415342700784258
Energy: 1.0411199708913896
Energy: 1.0415342700784258
Energy: 1.2083500518417032
Energy: 1.0461416731657038
Energy: 1.0022480658883746
Energy: 1.046141673166431
Energy: 1.197989704204491
Energy: 1.196704217040394
Energy: 1.1955329348290546
Energy: 1.1967042170411215
Energy: 1.202407451320306
Energy: 1.1096172350543343
Energy: 1.0482375493670313
Energy: 1.1096172350543343
Energy: 1.0412627793229998
Energy: 1.0291704451016763
Energy: 0.9958919883460805
Energy: 1.029170445100949
Energy: 1.1173223711923501
Energy: 1.0309545064453263
Energy: 0.9995678733318144
Energy: 1.0309545064453263
Energy: 1.10309200204175
Energy: 1.0322543144499963
Energy: 1.031517115847285
Energy: 1.0322543144514509
Energy: 1.104430132745614
Energy: 1.0325166262859522
Energy: 0.9966523648059109
Energy: 1.0325166262859522
Energy: 1.201447565328837
Energy: 1.11661355971582
Energy: 1.1132329317339118
Energy: 1.11661355971582
Energy: 1.1984085477654673
Energy: 1.1116557574018993
Energy: 1.2067444761937052
Energy: 1.1116557574018993
Energy: 1.200940623433738
Energy: 1.041366704214703
Energy: 1.0411938091679203
Energy: 1.041366704214703
Energy: 1.1100014388325479
Energy: 1.0404105785951088
Energy: 1.0387267207755437
Energy: 1.0404105785951088
Energy: 1.0414433775965444
Energy: 1.1345195321320296
Energy: 1.0419314534622068
Energy: 1.1345195321313024
Energy: 1.0848884628693491
Energy: 1.1327759966287134
Energy: 1.041949160210122
Energy: 1.132775996627986
Energy: 1.0435120407457776
Energy: 1.0476863635788538
Energy: 1.1161549796317265
Energy: 1.047686363581036
Energy: 1.0413381378944948
Energy: 1.0423648335259852
Energy: 1.1035494677765085
Energy: 1.042364833525258
Energy: 1.0456471026628016
Energy: 1.1085219143356884
Energy: 1.1395675728061057
Energy: 1.1085219143342335
Energy: 1.1952133576193846
Energy: 1.1969958654268613
Energy: 1.1950787782750556
Energy: 1.1969958654254065
Energy: 1.0257474583606196
Energy: 1.0321570080122875
Energy: 1.1119816712651973
Energy: 1.0321570080122875
Energy: 1.02438729425315
Energy: 1.031294825967713
Energy: 1.0412499255878933
Energy: 1.0312948259713497
Energy: 0.9955472497460519
Energy: 1.0020554464021099
Energy: 1.115809636799012
Energy: 1.0020554464013824
Energy: 0.9983669872766685
Energy: 1.0305217568574463
Energy: 1.104038968488417
Energy: 1.0305217568567187
Energy: 1.0280368205958499
Energy: 1.0336062387060456
Energy: 1.103704054083695
Energy: 1.0336062387045912
Energy: 1.1159188421687014
Energy: 1.196658358447183
Energy: 1.196062845198428
Energy: 1.1966583584457282

minimum gb energy = 0.9751424864311852 eV
minimum distance =  2.4798491631292 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.4368375001684075
Energy: 0.9421508110720089
Energy: 1.1182024836659614
Energy: 1.1159766478531152
Energy: 1.2821839418377872
Energy: 0.9925549004030976
Energy: 1.111538827491055
Energy: 0.9925549003997486
Energy: 1.1164063891722042
Energy: 1.1150232889705263
Energy: 1.121218994525718
Energy: 1.1150232889688518
Energy: 1.1099710026413696
Energy: 0.9936512894401495
Energy: 1.108657503514687
Energy: 0.9936512894301404
Energy: 1.116551672236629
Energy: 0.9927395644546416
Energy: 0.9263348839197945
Energy: 0.9927395644529671
Energy: 1.1096385629545193
Energy: 0.9953025200199633
Energy: 0.9268662184485004
Energy: 0.9953025200216379
Energy: 1.2819495505273337
Energy: 1.1094191683100794
Energy: 1.111193821264755
Energy: 1.1094191683100794
Energy: 1.2805912898424012
Energy: 0.995160488829096
Energy: 1.1074557898851864
Energy: 0.9951604888307707
Energy: 1.1153416634909412
Energy: 1.1105655381477169
Energy: 1.1204259761658373
Energy: 1.110565538151066
Energy: 1.1078383895642685
Energy: 0.9945265682231881
Energy: 1.1141890407847377
Energy: 0.9945265682231881
Energy: 1.1153536806150484
Energy: 0.9960263418547499
Energy: 0.9432091673081815
Energy: 0.9960263418530754
Energy: 1.1117444013416782
Energy: 0.9926411082761201
Energy: 0.9286458746554318
Energy: 0.9926411082777946
Energy: 1.2806108777522922
Energy: 0.9967325751144784
Energy: 1.1064242419237584
Energy: 0.9967325751044311

minimum gb energy = 0.9263348839197945 eV
minimum distance =  2.49562381782667 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.3967679073411088
Energy: 1.151841662310472
Energy: 1.2526922262674312
Energy: 1.2524056225167932
Energy: 1.0808631411028142
Energy: 1.0203315385616607
Energy: 1.2444461933074031
Energy: 1.0203315385604212
Energy: 1.0213608914661705
Energy: 1.0212706732451573
Energy: 1.2248961887203833
Energy: 1.0212706732445374
Energy: 1.0244669950781355
Energy: 1.0203844007818932
Energy: 1.316108878981425
Energy: 1.0203844007806535
Energy: 1.0229036953725592
Energy: 1.0206170612695078
Energy: 1.3149575625340226
Energy: 1.0206170612701277
Energy: 1.0195813419307733
Energy: 1.0203774098725875
Energy: 1.3154489812382588
Energy: 1.0203774098707283
Energy: 1.2479949721071057
Energy: 1.227326020203216
Energy: 1.2437736535189743
Energy: 1.2273260202025962
Energy: 1.246665722325743
Energy: 1.1303400347237507
Energy: 1.225862581426312
Energy: 1.1303400347237507
Energy: 1.0783517720079077
Energy: 1.1453704642900382
Energy: 1.1054935900757512
Energy: 1.1453704642894185
Energy: 1.0206313050682134
Energy: 1.1109684168281926
Energy: 1.2269114666342607
Energy: 1.1109684168746756
Energy: 1.0759273113057912
Energy: 1.0765573748681097
Energy: 1.1364347424868424
Energy: 1.0765573748687296
Energy: 1.0904940529518612
Energy: 1.078003148113418
Energy: 1.312917154519547
Energy: 1.078003148113418
Energy: 1.241042125720933
Energy: 1.0765069430183551
Energy: 1.093185345580265
Energy: 1.0765069430189749
Energy: 1.2504295515819819
Energy: 1.0774654376901367
Energy: 1.0779136977575128
Energy: 1.0774654376901367
Energy: 1.2248016884708262
Energy: 1.1119864994037114
Energy: 1.0902531165492542
Energy: 1.1119864994012323
Energy: 1.1869898343709555
Energy: 1.1480197652502662
Energy: 1.0893985796833734
Energy: 1.1480197652515056
Energy: 1.2273695237094489
Energy: 1.020126904755405
Energy: 1.0793897544311593
Energy: 1.0201269047547854
Energy: 1.2508405237308657
Energy: 1.2272492857316142
Energy: 1.313081722214006
Energy: 1.2272492857322341
Energy: 1.2447367698246405
Energy: 1.020974145484321
Energy: 1.0810557899008542
Energy: 1.020974145482462
Energy: 1.2944339524170883
Energy: 1.0223408521327688
Energy: 1.0271852685735157
Energy: 1.0223408521340083
Energy: 1.3191877484853158
Energy: 1.0202544716632904
Energy: 1.0215472289703569
Energy: 1.0202544716632904
Energy: 1.316464186411505
Energy: 1.0201861279229942
Energy: 1.020501547980626
Energy: 1.0201861279217546
Energy: 1.315455346483699
Energy: 1.0207601026438538
Energy: 1.019693849045031
Energy: 1.0207601026450932
Energy: 1.245301367931045
Energy: 1.2269040296968017
Energy: 1.249457760588763
Energy: 1.2269040296986609
Energy: 1.226368573400653
Energy: 1.2263881734544069
Energy: 1.248117663241222
Energy: 1.2263881734525477
Energy: 1.0910195302040975
Energy: 1.1451398779276707
Energy: 1.076735729651129
Energy: 1.1451398779344883
Energy: 1.2287062697546591
Energy: 1.1105095341071707
Energy: 1.0199205807394967
Energy: 1.1105095341102695
Energy: 1.1356925631985448
Energy: 1.0790278171862366
Energy: 1.0771577326095003
Energy: 1.0790278171849974
Energy: 1.3131604424086785
Energy: 1.093666611631739
Energy: 1.0897780865532531
Energy: 1.0936666116342182
Energy: 1.0923400818953712
Energy: 1.0664781269708155
Energy: 1.2501872908571312
Energy: 1.0664781269720551
Energy: 1.0802220259106798
Energy: 1.0782688105075184
Energy: 1.2237054860612826
Energy: 1.0782688105075184
Energy: 1.0851196745228204
Energy: 1.0656615015288415
Energy: 1.2250110001243943
Energy: 1.0656615015288415
Energy: 1.0903067276135292
Energy: 1.1475383493689637
Energy: 1.135287115189317
Energy: 1.1475383493671043
Energy: 1.0781908665063784
Energy: 1.0203780643549782
Energy: 1.1401722688909595
Energy: 1.0203780643549782
Energy: 1.3126874261610175
Energy: 1.226676823721004
Energy: 1.227531842675466
Energy: 1.2266768237228636

minimum gb energy = 1.0195813419307733 eV
minimum distance =  2.47016821271547 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.4986246925301043
Energy: 1.1056427923691272
Energy: 1.2131671802654573
Energy: 1.2138455167062598
Energy: 1.0944191285350553
Energy: 1.0443454811113755
Energy: 1.1755101625512607
Energy: 1.0443454811103918
Energy: 1.0450508832596372
Energy: 1.044455329846336
Energy: 1.2147874316697642
Energy: 1.044455329846336
Energy: 1.0446917337764445
Energy: 1.046304850856105
Energy: 1.3015879907405157
Energy: 1.046304850856105
Energy: 1.0488770683558408
Energy: 1.0484571145238604
Energy: 1.2948077488523406
Energy: 1.0484571145238604
Energy: 1.1177549598707217
Energy: 1.0486582708429868
Energy: 1.2950250718202299
Energy: 1.048658270840037
Energy: 1.1682532596961528
Energy: 1.2071418695071898
Energy: 1.2259113171368463
Energy: 1.2071418695071898
Energy: 1.1096539866082757
Energy: 1.15090023453718
Energy: 1.2066551116387254
Energy: 1.15090023453718
Energy: 1.0879286869057112
Energy: 1.165707801840725
Energy: 1.2093414059885625
Energy: 1.1657078018426914
Energy: 1.1031209006553238
Energy: 1.0720463339865463
Energy: 1.2079072393304002
Energy: 1.0720463339845796
Energy: 1.0888610629858617
Energy: 1.0216794576385229
Energy: 1.0304548128161197
Energy: 1.0216794576385229
Energy: 1.0872880418970379
Energy: 1.0238486328360576
Energy: 1.275522218518906
Energy: 1.0238486328360576
Energy: 1.2120015666604966
Energy: 1.0947369977434065
Energy: 1.081721389434198
Energy: 1.094736997742423
Energy: 1.2124151859410837
Energy: 1.097117140257768
Energy: 1.0891665471559273
Energy: 1.097117140257768
Energy: 1.2286938321895415
Energy: 1.1545570468073085
Energy: 1.0856665796307379
Energy: 1.1545570468082917
Energy: 1.2951903729527374
Energy: 1.0832440135357362
Energy: 1.0838852515723303
Energy: 1.083244013538686
Energy: 1.2967095625202425
Energy: 1.153022314326307
Energy: 1.088097875043366
Energy: 1.1530223143253233
Energy: 1.1780544357299134
Energy: 1.1769389499948388
Energy: 1.1623202101633645
Energy: 1.1769389499968057
Energy: 1.1733193102916633
Energy: 1.1195688846089527
Energy: 1.1695365401553208
Energy: 1.1195688846079694
Energy: 1.1840368473680771
Energy: 1.1230158671489747
Energy: 1.170299073105818
Energy: 1.1230158671499582
Energy: 1.1737107280199746
Energy: 1.1205547159454659
Energy: 1.1020396574947378
Energy: 1.1205547159444824
Energy: 1.294284529404291
Energy: 1.1682456277888071
Energy: 1.1706145997582689
Energy: 1.1682456277897906

minimum gb energy = 1.0216794576385229 eV
minimum distance =  2.46209643096875 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.75917380671576
Energy: 1.0620083311055037
Energy: 1.2239539478529666
Energy: 1.2178131942794532
Energy: 1.150470623337042
Energy: 1.0481142075205367
Energy: 1.2845363426499297
Energy: 1.0481142075219274
Energy: 1.0586414149005825
Energy: 1.055669171903921
Energy: 1.1630561258140952
Energy: 1.055669171905312
Energy: 1.0506162551423122
Energy: 1.0487604271838034
Energy: 1.2781032839153152
Energy: 1.048760427181022
Energy: 1.0506465997427314
Energy: 1.0502764266985403
Energy: 1.2534754309769978
Energy: 1.0502764267047664
Energy: 1.0494674137934028
Energy: 1.0493817864360673
Energy: 1.2523233956862343
Energy: 1.0493817864381534
Energy: 1.2767030608859797
Energy: 1.0527872611491491
Energy: 1.0474979927456478
Energy: 1.0527872611463678
Energy: 1.2831941654231935
Energy: 1.0488464331402128
Energy: 1.0493400642190704
Energy: 1.0488464331374316
Energy: 1.1640643080409867
Energy: 1.0480114573010486
Energy: 1.0472549833657858
Energy: 1.0480114572961814
Energy: 1.270006877529322
Energy: 1.0536313511226847
Energy: 1.050356682425453
Energy: 1.0536313511261612
Energy: 1.2837776673166827
Energy: 1.1624149325353255
Energy: 1.1683289138004058
Energy: 1.1624149325318804
Energy: 1.1613392497307025
Energy: 1.1615514285061934
Energy: 1.2417594066500888
Energy: 1.1615514285166233
Energy: 1.161525298172962
Energy: 1.1183182020403308
Energy: 1.16518582557119
Energy: 1.1183182020396356
Energy: 1.1611001092736835
Energy: 1.1138800756454386
Energy: 1.0671073562485889
Energy: 1.1138800756433527
Energy: 1.1641972082640375
Energy: 1.1195487150856043
Energy: 1.0737101914573186
Energy: 1.1195487150779557
Energy: 1.2974755991954503
Energy: 1.1624427170166007
Energy: 1.1633400959863345
Energy: 1.1624427170159053
Energy: 1.2991933283069936
Energy: 1.1630899569941076
Energy: 1.2832932421783485
Energy: 1.1630899569892403
Energy: 1.050599119710289
Energy: 1.085680473093856
Energy: 1.1638132433396617
Energy: 1.0856804730896843
Energy: 1.0450660062612298
Energy: 1.0469430094988348
Energy: 1.2862405884951194
Energy: 1.0469430094967487
Energy: 1.049463891696747
Energy: 1.0494546796589443
Energy: 1.080801444628006
Energy: 1.0494546796547723
Energy: 1.0475072013459403
Energy: 1.0523552398735512
Energy: 1.2581763838977196
Energy: 1.0523552398686842
Energy: 1.2814538213258746
Energy: 1.049912856646608
Energy: 1.0487537945328256
Energy: 1.0499128566417408
Energy: 1.280402207259762
Energy: 1.0505931547920215
Energy: 1.050794310420782
Energy: 1.0505931547913265
Energy: 1.2777418942395333
Energy: 1.0487543616286643
Energy: 1.0500949446045609
Energy: 1.048754361632836
Energy: 1.2546482712335028
Energy: 1.0564135653857865
Energy: 1.0588253219635213
Energy: 1.0564135653795284
Energy: 1.252570915550346
Energy: 1.0485879817476922
Energy: 1.0552706610430242
Energy: 1.0485879817469967
Energy: 1.224454568918863
Energy: 1.2176025570457305
Energy: 1.51368421146503
Energy: 1.217602557046426
Energy: 1.1602451777112548
Energy: 1.1161298899280916
Energy: 1.1608652783768505
Energy: 1.116129889929482
Energy: 1.1633182643969073
Energy: 1.1179337321221958
Energy: 1.1641956522765966
Energy: 1.1179337321228913
Energy: 1.1607301051194208
Energy: 1.117156177732414
Energy: 1.066704676587112
Energy: 1.1171561777351953
Energy: 1.2999238081330289
Energy: 1.1622341670330423
Energy: 1.1600359361937886
Energy: 1.162234167029566

minimum gb energy = 1.0450660062612298 eV
minimum distance =  2.46126682113577 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.9833981679480701
Energy: 0.9855848971483713
Energy: 1.1407945182214208
Energy: 1.1889906006637698
Energy: 1.0296132800487705
Energy: 1.0901588978144776
Energy: 1.0150517994185864
Energy: 1.0901588978132934
Energy: 1.0153907525181123
Energy: 1.0570404448712274
Energy: 0.9903112588282892
Energy: 1.057040444871712
Energy: 0.9900729018659653
Energy: 1.004324903612434
Energy: 1.025873283575531
Energy: 1.0043249036112498
Energy: 1.0136606111325834
Energy: 1.0087501525598634
Energy: 0.9925551328401556
Energy: 1.0087501525603206
Energy: 1.0256528614163034
Energy: 1.0811210304453038
Energy: 0.9897514604445786
Energy: 1.0811210304448464
Energy: 0.9893136514963881
Energy: 1.0570576517187025
Energy: 1.0176767709150998
Energy: 1.0570576517175185
Energy: 1.0150212653718125
Energy: 1.0180771797295842
Energy: 1.0214535380873846
Energy: 1.0180771797288843
Energy: 1.029469146006349
Energy: 1.0095180545515128
Energy: 1.0123306517537394
Energy: 1.009518054549387

minimum gb energy = 0.9833981679480701 eV
minimum distance =  2.47363884224246 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.385948856048094
Energy: 0.952895124935523
Energy: 1.1542179526443015
Energy: 0.9848793464688109
Energy: 1.0059146103668417
Energy: 0.984568525517734
Energy: 1.1361187534172412
Energy: 0.984568525517734
Energy: 1.1359745080069854
Energy: 1.060686665366772
Energy: 1.1426329661130394
Energy: 1.0606866653661151
Energy: 1.007826783983704
Energy: 0.9801501699263765
Energy: 1.1263442234453405
Energy: 0.9801501699257197
Energy: 1.124570050714263
Energy: 0.9799009748569115
Energy: 1.1621779864095545
Energy: 0.9799009748562547
Energy: 0.9812950694693133
Energy: 0.9821881029978531
Energy: 1.162238667867828
Energy: 0.9821881029985099
Energy: 0.9803209046192578
Energy: 0.9800752959387118
Energy: 1.1270194665797268
Energy: 0.980075295938055
Energy: 0.9931189532266329
Energy: 0.9857286387642029
Energy: 1.2394256154685768
Energy: 0.9857286387635461
Energy: 1.0087489219511645
Energy: 1.0074828484944482
Energy: 1.2400085977767978
Energy: 1.0074828484957619
Energy: 1.1940669108592155
Energy: 0.9575542950480853
Energy: 0.9619800345426166
Energy: 0.9575542950467717
Energy: 1.0104627338596903
Energy: 0.9565911563774896
Energy: 0.9563589403365373
Energy: 0.9565911563768328
Energy: 1.3111340454434983
Energy: 0.9542689982913974
Energy: 0.9560457210993072
Energy: 0.9542689982907406
Energy: 1.2421598235690487
Energy: 0.9560689329131505
Energy: 0.9538082904420289
Energy: 0.9560689329144642
Energy: 1.0081199993378138
Energy: 1.0040397753301922
Energy: 1.1651844763061956
Energy: 1.0040397753301922
Energy: 0.9806998983918208
Energy: 0.9806832859919037
Energy: 1.163244648389063
Energy: 0.9806832859912469
Energy: 0.9875086234742321
Energy: 0.9820599400423536
Energy: 1.1243148676326307
Energy: 0.9820599400430104
Energy: 0.9803987751869049
Energy: 0.9806776479184366
Energy: 1.0041005420942306
Energy: 0.9806776479164662
Energy: 1.1388469776690258
Energy: 0.9858210032603225
Energy: 1.0061687216011013
Energy: 0.9858210032616361
Energy: 1.1438329896327815
Energy: 1.0627569670151247
Energy: 1.1377602046584916
Energy: 1.0627569670151247
Energy: 1.1283921640569394
Energy: 0.9803291655497428
Energy: 1.0044361309014425
Energy: 0.9803291655497428
Energy: 1.162335230010247
Energy: 0.9873466430810568
Energy: 1.127094795456883
Energy: 0.9873466430830272
Energy: 1.1625542302989118
Energy: 0.9797427644357969
Energy: 0.9796738695572591
Energy: 0.9797427644344833
Energy: 1.1253183205011954
Energy: 0.9807749671825301
Energy: 0.9821920748462795
Energy: 0.9807749671825301
Energy: 1.2573925153915466
Energy: 0.9835189483091628
Energy: 0.9892504450261289
Energy: 0.9835189483098196
Energy: 1.2414681858321521
Energy: 1.0048877687040694
Energy: 1.0104190889388671
Energy: 1.0048877687040694
Energy: 0.9572760056351762
Energy: 0.9614937119063843
Energy: 1.1943206618336837
Energy: 0.9614937118978459
Energy: 0.9620819339772391
Energy: 0.9575296758226336
Energy: 1.0086548367009773
Energy: 0.9575296758239472
Energy: 0.9554050954624478
Energy: 0.9612404728864921
Energy: 1.054108735915731
Energy: 0.9612404728878057
Energy: 0.9539796876321389
Energy: 0.9574083048775862
Energy: 1.2409569923118906
Energy: 0.9574083048769294
Energy: 1.1639374375863585
Energy: 1.003589867345084
Energy: 1.0088177547146553
Energy: 1.0035898673444272
Energy: 1.1641733392330218
Energy: 0.9818518254404437
Energy: 0.9840982211925682
Energy: 0.9818518254404437
Energy: 1.1239857098268402
Energy: 0.9818583029608724
Energy: 0.9834233267914895
Energy: 0.9818583029615292
Energy: 1.0062099144461611
Energy: 0.9807258274028197
Energy: 0.9797131328198949
Energy: 0.9807258274034765

minimum gb energy = 0.952895124935523 eV
minimum distance =  2.45343548267166 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.6503488039291325
Energy: 0.9177877837144149
Energy: 0.945404142090827
Energy: 0.9459016406012928
Energy: 1.0548552619710545
Energy: 0.94916794637714
Energy: 1.1600024131301667
Energy: 0.9491679463789563
Energy: 1.0955236954102208
Energy: 1.0466882890352684
Energy: 1.1647181637301203
Energy: 1.0466882890361764
Energy: 1.0843730721959421
Energy: 1.046268828312167
Energy: 1.1474298250557164
Energy: 1.046268828311259
Energy: 1.0864580913497737
Energy: 0.9532187118032978
Energy: 1.0768553490216204
Energy: 0.9532187118032978
Energy: 0.9533479502704888
Energy: 0.9542479117989627
Energy: 1.076935828071007
Energy: 0.9542479117980546
Energy: 0.9533912319303675
Energy: 0.9529612417762666
Energy: 1.1478916354211757
Energy: 0.9529612417798992
Energy: 0.9577953026534083
Energy: 0.9586129791067342
Energy: 1.2238820464362945
Energy: 0.958612979105826
Energy: 0.9599739072303305
Energy: 0.9990483960825624
Energy: 1.2251734478228675
Energy: 0.9990483960834705
Energy: 1.2182770067352484
Energy: 0.9023519255210659
Energy: 1.0060374010606292
Energy: 0.9023519255219741
Energy: 0.9647202253218627
Energy: 0.9021316197881143
Energy: 1.050258581255089
Energy: 0.9021316197872062
Energy: 1.2993917551265735
Energy: 0.8982337541801442
Energy: 1.001258793279981
Energy: 0.8982337541792361
Energy: 1.299295926463242
Energy: 0.9027879411628049
Energy: 1.0034511108327104
Energy: 0.9027879411600805
Energy: 0.9595637697910646
Energy: 1.0000455843020941
Energy: 1.2050045947386734
Energy: 1.0000455843039102
Energy: 1.0848908355331832
Energy: 1.0004492724445204
Energy: 1.20431966495281
Energy: 1.0004492724454286
Energy: 1.0864062434090789
Energy: 1.0940695958439448
Energy: 1.1475692140879825
Energy: 1.094069595845761
Energy: 0.9556733351492664
Energy: 0.9549113700282282
Energy: 1.0771510978249002
Energy: 0.9549113700273202
Energy: 0.9621432654010571
Energy: 0.9616387801187919
Energy: 1.0789632216376932
Energy: 0.961638780120608
Energy: 0.9568884628003107
Energy: 0.9539962019597557
Energy: 1.2280184185965932
Energy: 0.9539962019615719
Energy: 0.9564536455353424
Energy: 0.9627796055535173
Energy: 1.22389842124226
Energy: 0.9627796055571497
Energy: 1.258195939625124
Energy: 0.9435740848363934
Energy: 1.14637168929205
Energy: 0.9435740848373015
Energy: 1.255113505329157
Energy: 0.9457806262412612
Energy: 0.9464627149031127
Energy: 0.9457806262412612
Energy: 1.0732304571914106
Energy: 0.9435844140309305
Energy: 0.9450621363908902
Energy: 0.9435844140291142
Energy: 1.221161834390781
Energy: 0.9450551864108421
Energy: 0.9448625089165629
Energy: 0.9450551864108421

minimum gb energy = 0.8982337541792361 eV
minimum distance =  2.44352502171852 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.5968385862376289
Energy: 0.8997359971297915
Energy: 1.122958245682239
Energy: 0.924374110689651
Energy: 0.9839624420544754
Energy: 0.9221502343194993
Energy: 1.057182671831129
Energy: 0.9221502343217445
Energy: 1.1638833049763435
Energy: 0.9196601724468643
Energy: 1.0880750856831873
Energy: 0.9196601724474254
Energy: 1.230877618121811
Energy: 0.9683656241864047
Energy: 1.0477620993584904
Energy: 0.9683656241875273
Energy: 1.030296576556317
Energy: 0.9006267314283527
Energy: 1.2331905379610335
Energy: 0.9006267314311592
Energy: 0.9011501687572097
Energy: 0.9005707479436341
Energy: 1.178576869918396
Energy: 0.9005707479436341
Energy: 0.9021487140314307
Energy: 0.9000984607189182
Energy: 0.9405900607833922
Energy: 0.9000984607172341
Energy: 0.9108369216889873
Energy: 0.9022677666033543
Energy: 1.1985686855400897
Energy: 0.9022677666022316
Energy: 1.1890364242656217
Energy: 0.9019635952774407
Energy: 1.1629592204397585
Energy: 0.9019635952768794
Energy: 1.0955339492651885
Energy: 0.972721810559223
Energy: 1.0731152268712287
Energy: 0.972721810559223
Energy: 1.1843312254450087
Energy: 0.9198696461201278
Energy: 0.9360316597266827
Energy: 0.9198696461195665
Energy: 1.1955670859694776
Energy: 0.9270033166589047
Energy: 1.0490137872157572
Energy: 0.927003316659466
Energy: 1.1776657248978217
Energy: 0.9202858434902922
Energy: 0.9199788401440578
Energy: 0.9202858434886083
Energy: 1.07088310090265
Energy: 0.9196114105017736
Energy: 0.9222235162134488
Energy: 0.9196114105034575
Energy: 1.2278735174341016
Energy: 0.9222267724260746
Energy: 0.9259345804909419
Energy: 0.9222267724255134
Energy: 1.1986673201059694
Energy: 0.9203985918741302
Energy: 0.9232190912080797
Energy: 0.920398591871885
Energy: 0.9197293752391649
Energy: 0.9239647916599495
Energy: 1.2199878562472235
Energy: 0.9239647916582657
Energy: 0.9202273753058914
Energy: 0.9188576221629203
Energy: 1.1902809115792061
Energy: 0.9188576221629203
Energy: 0.9408847622307384
Energy: 0.9217225937753029
Energy: 1.1592597019028155
Energy: 0.9217225937758641
Energy: 0.9212287307607406
Energy: 0.9190485478972038
Energy: 1.1995137074439737
Energy: 0.9190485478977651
Energy: 1.0572997105605
Energy: 0.9216939423394352
Energy: 0.9207250554349873
Energy: 0.9216939423377511
Energy: 1.0879474987725783
Energy: 0.9187978720970719
Energy: 1.1663004476104746
Energy: 0.9187978720981945
Energy: 1.0486590416863475
Energy: 0.9661729548656028
Energy: 1.2300871555175354
Energy: 0.9661729548634088
Energy: 1.2370414877826967
Energy: 0.9023100066979797
Energy: 1.0290284591485135
Energy: 0.902310006698541
Energy: 1.1782728750244085
Energy: 0.9004248255997983
Energy: 0.9001703702417805
Energy: 0.9004248255986756
Energy: 1.049573637937167
Energy: 0.9012362883860735
Energy: 0.9082768052821616
Energy: 0.901236288387196
Energy: 1.1979112632761306
Energy: 0.9011369940419024
Energy: 0.9005715594358781
Energy: 0.9011369940424637
Energy: 1.0518052917002036
Energy: 0.9014959218588048
Energy: 1.1858417510776884
Energy: 0.9014959218565595
Energy: 1.0591692598370372
Energy: 0.9701644047261264
Energy: 1.084419668175008
Energy: 0.9701644047266876
Energy: 0.9376208786316795
Energy: 0.9191473354944754
Energy: 1.1823142047943445
Energy: 0.9191473354944754
Energy: 1.0481887299210884
Energy: 0.9206822163263676
Energy: 1.199556314291076
Energy: 0.9206822163241224
Energy: 0.919218281223146
Energy: 0.9206767493594643
Energy: 1.2013118867391686
Energy: 0.9206767493583417
Energy: 0.9195413228903696
Energy: 0.9188054708818432
Energy: 1.0722099780115686
Energy: 0.9188054708807205
Energy: 0.9305236514467002
Energy: 0.9216906153240968
Energy: 1.2302471595644515
Energy: 0.9216906153224127
Energy: 1.078087432878732
Energy: 0.9431862263552573
Energy: 1.1984018617546486
Energy: 0.9431862263552573
Energy: 1.426453986458015
Energy: 0.9260344499087995
Energy: 0.9205917159161656
Energy: 0.9260344499099221
Energy: 1.1860707692711414
Energy: 0.9199013916229298
Energy: 0.9201517646762257
Energy: 0.919901391623491
Energy: 1.1630066367033518
Energy: 0.9253904090633642
Energy: 0.9204495139873822
Energy: 0.9253904090616804

minimum gb energy = 0.8997359971297915 eV
minimum distance =  2.44620974277054 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.7033644438139612
Energy: 0.8702828118577477
Energy: 0.8395808413410208
Energy: 0.839915091144816
Energy: 0.8396064879509919
Energy: 0.9153367172628767
Energy: 0.8389419683029624
Energy: 0.9153367172614081
Energy: 0.8304299104750982
Energy: 0.9162802909672171
Energy: 0.8610913338812987
Energy: 0.9162802909686858
Energy: 0.8327177774305682
Energy: 0.9168792386691946
Energy: 0.8380862124320112
Energy: 0.9168792386691946
Energy: 0.8368459189690881
Energy: 0.837573223399582
Energy: 0.8544245538534101
Energy: 0.837573223399582
Energy: 0.8370390476778404
Energy: 0.8366494870731914
Energy: 0.8535649508040666
Energy: 0.8366494870731914
Energy: 0.8359861454888864
Energy: 0.8356851727393235
Energy: 0.8393719990863343
Energy: 0.8356851727393235
Energy: 0.8372117511941906
Energy: 0.8408469382191659
Energy: 0.8297074005473524
Energy: 0.8408469382176972
Energy: 0.8384119950064386
Energy: 0.8386459076193054
Energy: 0.8295833845180433
Energy: 0.8386459076193054
Energy: 0.8611156666667816
Energy: 0.9178000778045459
Energy: 0.8404096227745912
Energy: 0.9178000778045459
Energy: 0.8393257032406534
Energy: 0.9067249034617776
Energy: 0.8291542769042674
Energy: 0.9067249034617776
Energy: 0.8526197149393331
Energy: 0.8358411904863419
Energy: 0.8389595846422112
Energy: 0.8358411904863419
Energy: 0.854516684202955
Energy: 0.8389497512545491
Energy: 0.8373905845432591
Energy: 0.8389497512559844
Energy: 0.8390136046908948
Energy: 0.8352645453013634
Energy: 0.8355266802670883
Energy: 0.8352645453013634
Energy: 0.8295374739166126
Energy: 0.8378822078470496
Energy: 0.8385365908524314
Energy: 0.8378822078485182

minimum gb energy = 0.8291542769042674 eV
minimum distance =  2.47883660030833 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.4911943106390575
Energy: 0.789019280083854
Energy: 1.0390629649053158
Energy: 0.7976565523167224
Energy: 0.8007647875028648
Energy: 0.7954423049258348
Energy: 0.9521661931984875
Energy: 0.7954423049289125
Energy: 0.800141330290379
Energy: 0.7935446814459737
Energy: 0.9623025375909704
Energy: 0.7935446814465891
Energy: 1.125170138997522
Energy: 0.7970769966882769
Energy: 0.9430460585363111
Energy: 0.7970769966882769
Energy: 1.1045729398504296
Energy: 0.7960997864333815
Energy: 0.958986894608351
Energy: 0.7960997864389217
Energy: 0.9444697660351419
Energy: 0.7950388314630752
Energy: 0.9379586783512631
Energy: 0.7950388314649219
Energy: 0.9442199176294808
Energy: 0.7940007311921513
Energy: 0.9393820210491448
Energy: 0.7940007311946138
Energy: 0.9427639891636249
Energy: 0.79384040217151
Energy: 0.9640077072313793
Energy: 0.79384040217151
Energy: 0.792653314693735
Energy: 0.7964255441019645
Energy: 0.9468878998660119
Energy: 0.7964255441007334
Energy: 0.7930424135758937
Energy: 0.7939842844294873
Energy: 0.9449549521364541
Energy: 0.7939842844251783
Energy: 0.7963575102647241
Energy: 0.7944572528456456
Energy: 1.4913335475290166
Energy: 0.794457252849339
Energy: 0.9388475208960709
Energy: 0.792934105294944
Energy: 0.9454968984942523
Energy: 0.7929341052875571
Energy: 0.9419515564266365
Energy: 0.8359056275436546
Energy: 0.9376758915418587
Energy: 0.8359056275411924
Energy: 1.1018457401914918
Energy: 0.8389626212625997
Energy: 1.1210185974759161
Energy: 0.838962621261984
Energy: 0.9641222434953082
Energy: 0.7955687649481487
Energy: 1.1016212185391057
Energy: 0.7955687649511706
Energy: 0.9490939709060542
Energy: 0.7954480624949339
Energy: 0.7982929509706098
Energy: 0.7954480625041676
Energy: 1.100007659258612
Energy: 0.7945849944593772
Energy: 0.7947867438385183
Energy: 0.7945849944599928
Energy: 0.8001207368254737
Energy: 0.7934196756473015
Energy: 0.7960861536091145
Energy: 0.7934196756405303
Energy: 1.0723581369912791
Energy: 0.796200573337271
Energy: 0.938196164047945
Energy: 0.7962005733360398
Energy: 0.9445879263894048
Energy: 0.7928085517594116
Energy: 0.9640168234764958
Energy: 0.7928085517569493
Energy: 1.1259643625857467
Energy: 0.7950418538090722
Energy: 0.9383130020551481
Energy: 0.7950418538053788
Energy: 0.9447566516156334
Energy: 0.8518521122747412
Energy: 0.9378923669499292
Energy: 0.8518521122772035
Energy: 0.9456212658854994
Energy: 0.7973489371594322
Energy: 0.959284272632867
Energy: 0.7973489371631257
Energy: 0.8006088955206514
Energy: 0.7928334764320691
Energy: 1.1032772438075205
Energy: 0.7928334764320691
Energy: 0.9406260413522265
Energy: 0.794827013522952
Energy: 0.9644544897117577
Energy: 0.7948270135217209
Energy: 0.7953354834171802
Energy: 0.7935152361192952
Energy: 0.9457538894994926
Energy: 0.7935152361162174
Energy: 0.7938524685143721
Energy: 0.793317837803945
Energy: 1.1064294586790482
Energy: 0.793317837799636
Energy: 0.8101722612216942
Energy: 0.7972415544745568
Energy: 0.8286459306642134
Energy: 0.7972415544757879
Energy: 0.9374208618556398
Energy: 0.7934957217152522
Energy: 1.0735654194043596
Energy: 0.7934957216992473
Energy: 0.96305067083602
Energy: 0.8396233237085418
Energy: 0.9375074779767252
Energy: 0.8396233237079261
Energy: 0.9393871087339347
Energy: 0.8350604283849902
Energy: 1.1267953667721573
Energy: 0.8350604283806812
Energy: 0.9493412737677364
Energy: 0.7945308110084156
Energy: 0.9377356053938329
Energy: 0.7945308110139557
Energy: 0.9647171793276218
Energy: 0.795583279454622
Energy: 0.8110467141248413
Energy: 0.7955832794576999
Energy: 1.1042207535490847
Energy: 0.7932341359127258
Energy: 0.7942205968701384
Energy: 0.7932341358979521
Energy: 1.0721960672848905
Energy: 0.7953462236609523
Energy: 0.7972251717787296
Energy: 0.7953462236560278

minimum gb energy = 0.789019280083854 eV
minimum distance =  2.47594849389146 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.4564816763056376
Energy: 0.737458164660022
Energy: 0.7482201169148109
Energy: 0.7484365829712537
Energy: 1.1079428540372311
Energy: 0.7475585574977002
Energy: 1.0045464117764378
Energy: 0.7475585574977002
Energy: 1.1072123628835293
Energy: 0.7463314452615458
Energy: 0.9997956671439608
Energy: 0.7463314452626048
Energy: 1.1083603559979756
Energy: 0.8302642129166338
Energy: 0.9781104960945423
Energy: 0.8302642129176928
Energy: 1.2222814743831119
Energy: 0.7333463549535231
Energy: 1.1170538456858559
Energy: 0.7333463549514051
Energy: 0.9801374421045802
Energy: 0.7332561854141235
Energy: 1.1056361503071326
Energy: 0.7332561854141235
Energy: 0.8696747256016827
Energy: 0.732257439941225
Energy: 1.2170163797028437
Energy: 0.732257439941225
Energy: 0.9704976151975448
Energy: 0.7243943939696187
Energy: 1.135658150221602
Energy: 0.7243943939717369
Energy: 0.8534789592722516
Energy: 0.7279050865037603
Energy: 1.1152102102077075
Energy: 0.7279050865037603
Energy: 0.8526748071745012
Energy: 0.7218488452032382
Energy: 1.2149072229921094
Energy: 0.7218488452032382
Energy: 0.8915263986462284
Energy: 0.8910489809222525
Energy: 1.2892915265581002
Energy: 0.8910489809233115
Energy: 1.1014515855752487
Energy: 0.7213313031077325
Energy: 1.2146935596486832
Energy: 0.7213313031045554
Energy: 1.0991111183359223
Energy: 0.7209788713347481
Energy: 1.1071567228163939
Energy: 0.7209788713326301
Energy: 1.2217790500653596
Energy: 0.8048479301291386
Energy: 1.1085023202078519
Energy: 0.8048479301301976
Energy: 1.1170538456858559
Energy: 0.8161709583929659
Energy: 1.2164933044086963
Energy: 0.8161709583919068
Energy: 1.1056361503060739
Energy: 0.8154701045079707
Energy: 0.727701478837372
Energy: 0.8154701045090298
Energy: 1.222560456932419
Energy: 0.8029068121755917
Energy: 0.8697085595534761
Energy: 0.8029068121745327
Energy: 1.1356581503316974
Energy: 0.7461538787456902
Energy: 0.7216564095476878
Energy: 0.7461538787456902
Energy: 1.1152102102077075
Energy: 0.7501530158453998
Energy: 0.7467721872445635
Energy: 0.7501530158432818
Energy: 1.2207172414915892
Energy: 0.7479735975580908
Energy: 0.7558302522432157
Energy: 0.7479735975580908

minimum gb energy = 0.7209788713326301 eV
minimum distance =  2.46987975689729 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.6892342502518713
Energy: 0.6626610076492826
Energy: 0.6606957546921105
Energy: 0.6606770980701199
Energy: 1.1415251552142627
Energy: 0.6584341545301264
Energy: 0.8674725604721877
Energy: 0.6584341545309536
Energy: 1.3093305056183742
Energy: 0.657733871734074
Energy: 0.8659729285293988
Energy: 0.657733871731593
Energy: 1.1374114165081743
Energy: 0.6649409165056349
Energy: 1.0282056788611629
Energy: 0.6649409165064619
Energy: 1.2334160202273732
Energy: 0.7256390587390985
Energy: 1.2297621072480054
Energy: 0.7256390587374447
Energy: 1.1410130879594294
Energy: 0.72225976515587
Energy: 1.232978842731215
Energy: 0.72225976515587
Energy: 1.1452346786371443
Energy: 0.6514476846824379
Energy: 1.2255658719405145
Energy: 0.651447684679957
Energy: 0.8426181586215374
Energy: 0.6499339353277205
Energy: 1.3029064896452385
Energy: 0.6499339353268935
Energy: 0.8612251879578998
Energy: 0.6520058433556946
Energy: 1.0556716185713853
Energy: 0.6520058433540405
Energy: 0.8484846257643426
Energy: 0.6526586693204548
Energy: 1.3839161285489567
Energy: 0.6526586693196277
Energy: 0.7517403572692201
Energy: 0.6516891907596738
Energy: 1.4328654435417856
Energy: 0.6516891907596738
Energy: 0.756810414007154
Energy: 0.6532813283694339
Energy: 1.3841360557964746
Energy: 0.6532813283694339
Energy: 0.7551571939944202
Energy: 0.6474599734615011
Energy: 1.0560058160740062
Energy: 0.6474599734615011
Energy: 0.7660136982037998
Energy: 0.645179426605027
Energy: 1.3815749167283913
Energy: 0.6451794266033731
Energy: 0.9572524588348631
Energy: 0.6453039205138815
Energy: 1.39243169571159
Energy: 0.6453039205147085
Energy: 0.9551958688604475
Energy: 0.6466343497014214
Energy: 1.3115132874863922
Energy: 0.6466343497022484
Energy: 1.056810938374976
Energy: 0.6470233984647669
Energy: 1.3139852543806598
Energy: 0.6470233984697288
Energy: 0.9658715511892346
Energy: 0.7204839244429389
Energy: 1.0534183281842815
Energy: 0.720483924441285
Energy: 1.2124666039028211
Energy: 0.7180834977935805
Energy: 1.144163765179257
Energy: 0.7180834977927535
Energy: 1.2343672150833598
Energy: 0.7170769711160258
Energy: 1.1417956553303978
Energy: 0.7170769711151987
Energy: 1.4342163174840032
Energy: 0.6597688402255333
Energy: 0.8678961994845288
Energy: 0.6597688402230524
Energy: 1.2349049829600294
Energy: 0.6570467785438852
Energy: 0.7548851947137943
Energy: 0.6570467785447122
Energy: 1.1439976855254232
Energy: 0.6601976343056819
Energy: 0.8595626035021932
Energy: 0.6601976343056819
Energy: 1.3019488471744332
Energy: 0.6667833256956471
Energy: 0.660404818733875
Energy: 0.666783325693166
Energy: 1.4012515373298784
Energy: 0.6576134742621562
Energy: 0.6592722799900647
Energy: 0.6576134742629831
Energy: 1.3084257508962218
Energy: 0.666312128412267
Energy: 0.6643330446812251
Energy: 0.666312128412267

minimum gb energy = 0.6451794266033731 eV
minimum distance =  2.48378566878836 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.7235946445903834
Energy: 0.600720341898523
Energy: 0.5941110544382883
Energy: 0.5925938786123717
Energy: 1.2192947889829397
Energy: 0.5902550158022896
Energy: 0.759562737239416
Energy: 0.5902550158016117
Energy: 1.5034415753617405
Energy: 0.588984243214485
Energy: 0.7628968597532733
Energy: 0.5889842432138067
Energy: 1.2286569010242379
Energy: 0.5916461069740746
Energy: 0.9434649690164839
Energy: 0.5916461069747525
Energy: 1.2269110414191347
Energy: 0.588075417020043
Energy: 1.0797738511003399
Energy: 0.5880754170132629
Energy: 1.2199750614657698
Energy: 0.5891066725776678
Energy: 1.0766419590654255
Energy: 0.5891066725871598
Energy: 1.225774562865877
Energy: 0.6454331033707337
Energy: 1.2268205454327779
Energy: 0.6454331033707337
Energy: 1.0855825591680859
Energy: 0.6426055147462196
Energy: 1.0831801650309412
Energy: 0.6426055147462196
Energy: 0.9314143961139645
Energy: 0.5894833301835207
Energy: 1.3621558205716326
Energy: 0.5894833301855548
Energy: 0.9316951823223913
Energy: 0.5881472374762968
Energy: 1.2285551647229156
Energy: 0.5881472374756189
Energy: 0.7706658718723094
Energy: 0.5931779988437961
Energy: 1.357169971514884
Energy: 0.59317799884244
Energy: 0.761690783714447
Energy: 0.5880325259536321
Energy: 1.3598438189053461
Energy: 0.58803252595431
Energy: 0.760515133854262
Energy: 0.5908420658707648
Energy: 1.3576751877560678
Energy: 0.5908420658694087
Energy: 0.58885546934964
Energy: 0.5920837743093507
Energy: 1.3574946271384538
Energy: 0.5920837743242361
Energy: 0.5906860307633833
Energy: 0.588930245878764
Energy: 1.3614955343951507
Energy: 0.588930245879442
Energy: 0.5959043981023127
Energy: 0.59052600855483
Energy: 1.5058329525393106
Energy: 0.590526008555508
Energy: 0.768092581864947
Energy: 0.5928655246376087
Energy: 1.495645380581055
Energy: 0.5928655246376087
Energy: 0.7604386963709026
Energy: 0.5876762343723305
Energy: 1.5024395722519541
Energy: 0.5876762343730085
Energy: 0.7613535182993516
Energy: 0.5917724877154904
Energy: 1.222975008886612
Energy: 0.5917724877168464
Energy: 1.0781803126430975
Energy: 0.5901323546018556
Energy: 1.220339581403514
Energy: 0.5901323546025337
Energy: 1.0831183730263867
Energy: 0.5908604635619911
Energy: 1.359975212597938
Energy: 0.5908604635633471
Energy: 1.0786606810467236
Energy: 0.6417930098650542
Energy: 1.226581465790862
Energy: 0.6417930098636981
Energy: 1.362787217354808
Energy: 0.6412356413071325
Energy: 1.2183427920012329
Energy: 0.6412356413078104
Energy: 1.0823865747291845
Energy: 0.6418375479223538
Energy: 1.0771857681538584
Energy: 0.6418375479209977
Energy: 1.3613575131132416
Energy: 0.5902878602646227
Energy: 0.9290987868471945
Energy: 0.5902878602653007
Energy: 1.363170275205411
Energy: 0.590121803136755
Energy: 1.075137616094269
Energy: 0.5901218031374329
Energy: 1.3679419406719002
Energy: 0.5924299634216622
Energy: 0.7611344514180425
Energy: 0.5924299634196282
Energy: 1.50080022957893
Energy: 0.5883481806030186
Energy: 0.7590581626327572
Energy: 0.5883481806030186
Energy: 1.3667076799385312
Energy: 0.592228391727136
Energy: 0.7668625302350667
Energy: 0.59222839172578
Energy: 1.3637548267370163
Energy: 0.5908994426530223
Energy: 0.5964322255285173
Energy: 0.5908994426523444
Energy: 1.5014607078475732
Energy: 0.5888321065881286
Energy: 0.5902079567550865
Energy: 0.5888321065874504
Energy: 1.4959792464178412
Energy: 0.5949050985580399
Energy: 0.5981718837250501
Energy: 0.5949050985580399

minimum gb energy = 0.5876762343723305 eV
minimum distance =  2.48743102811905 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.4805167667692651
Energy: 0.5579336962157425
Energy: 0.8423367062365483
Energy: 0.5500769613603904
Energy: 1.3371811453027795
Energy: 0.5448984995438358
Energy: 0.6904507734111267
Energy: 0.54489849954441
Energy: 1.5863109133070479
Energy: 0.5441298987765861
Energy: 0.6946355236356212
Energy: 0.5441298987771604
Energy: 1.3496529391354577
Energy: 0.5474087837272483
Energy: 0.974669220006887
Energy: 0.5474087837243765
Energy: 1.3450130625183245
Energy: 0.5419101426305016
Energy: 0.9656703182679914
Energy: 0.5419101426276298
Energy: 1.3409609218387033
Energy: 0.5425928860528871
Energy: 0.9639125631880963
Energy: 0.5425928860465693
Energy: 1.0924730199006993
Energy: 0.5489267747084892
Energy: 1.216538063057784
Energy: 0.5489267747038943
Energy: 1.2210947612034895
Energy: 0.5918170527933162
Energy: 0.9631302443085163
Energy: 0.5918170527956137
Energy: 1.0905154939935062
Energy: 0.5879719124731677
Energy: 1.2128891395903878
Energy: 0.587971912472019
Energy: 1.0892037449697518
Energy: 0.5885220814140989
Energy: 1.4615464001603047
Energy: 0.5885220814089297
Energy: 0.9718938294839522
Energy: 0.5451093049127347
Energy: 1.2276129554311037
Energy: 0.5451093049104373
Energy: 0.833968175452593
Energy: 0.5418803986733174
Energy: 1.4592244354245631
Energy: 0.541880398680784
Energy: 0.9640733639122407
Energy: 0.5427410377164242
Energy: 1.4615481212880863
Energy: 0.5427410377204449
Energy: 0.6992397717665211
Energy: 0.547402222454526
Energy: 1.2247017993814213
Energy: 0.5474022224510797
Energy: 0.6875484513808107
Energy: 0.5424866063409167
Energy: 1.5822578481352176
Energy: 0.5424866063403423
Energy: 0.6934536885891974
Energy: 0.5459253920643521
Energy: 1.4641008575530718
Energy: 0.5459253920637777
Energy: 0.5508197381353968
Energy: 0.546569813916244
Energy: 1.4689898388803602
Energy: 0.5465698139168185
Energy: 0.5429836149204699
Energy: 0.5435560392296706
Energy: 1.5812432202202042
Energy: 0.543556039230245
Energy: 0.5560152579770686
Energy: 0.5459975128609994
Energy: 1.344982796950106
Energy: 0.5459975128592763
Energy: 0.696737647602113
Energy: 0.5456514743470408
Energy: 1.5888118172412136
Energy: 0.5456514743470408
Energy: 0.6851429053331944
Energy: 0.5427031483340025
Energy: 1.4598576770606069
Energy: 0.5427031483357254
Energy: 0.7003341435769908
Energy: 0.546802029870444
Energy: 1.3478804733721534
Energy: 0.5468020298698696
Energy: 0.9640854572563273
Energy: 0.5433057843774718
Energy: 1.3381043704962492
Energy: 0.5433057843757488
Energy: 0.9662945917931719
Energy: 0.5421623548194486
Energy: 1.4604201588573522
Energy: 0.5421623548194486
Energy: 0.9704196748623157
Energy: 0.5453120259219872
Energy: 1.10024307767272
Energy: 0.5453120259191153
Energy: 1.2159688789014498
Energy: 0.590682523367852
Energy: 1.3497441231895346
Energy: 0.5906825233672777
Energy: 0.9642533781951258
Energy: 0.5881126677890968
Energy: 1.2143156317787203
Energy: 0.5881126677908199
Energy: 1.2201020560895461
Energy: 0.5922251315593212
Energy: 1.096753816723356
Energy: 0.5922251315547262
Energy: 1.2188511038919152
Energy: 0.546648898715679
Energy: 1.2158695318619952
Energy: 0.5466488987168279
Energy: 1.215541945798186
Energy: 0.5429408865555646
Energy: 0.9645249146799493
Energy: 0.5429408865819854
Energy: 1.3427942631045109
Energy: 0.5418365777302805
Energy: 0.8338900817497961
Energy: 0.5418365777291317
Energy: 1.2229616183211436
Energy: 0.5482628471524602
Energy: 0.97224249997178
Energy: 0.5482628471524602
Energy: 1.462528197062627
Energy: 0.543923440367941
Energy: 0.6934771454863627
Energy: 0.5439234403387008
Energy: 1.458269843156279
Energy: 0.5441320685664081
Energy: 0.6944309455586872
Energy: 0.5441320685687054
Energy: 1.4563809629426414
Energy: 0.5477736913239171
Energy: 0.5601979166706114
Energy: 0.5477736913250658
Energy: 1.4586180151570098
Energy: 0.5448722727457638
Energy: 0.5476976567959367
Energy: 0.5448722727463382
Energy: 1.582397949738416
Energy: 0.544051910138939
Energy: 0.5467126708743062
Energy: 0.5440519101383648

minimum gb energy = 0.5418365777291317 eV
minimum distance =  2.49206107812944 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.6690237681762896
Energy: 0.5193314619109961
Energy: 0.4943227929572169
Energy: 0.4937468724379012
Energy: 1.465079427917099
Energy: 0.49425140621183444
Energy: 0.6258226585753446
Energy: 0.4942514062108382
Energy: 1.4657324516829917
Energy: 0.4935887681696307
Energy: 0.6262532259236281
Energy: 0.49358876816564556
Energy: 1.244653695941638
Energy: 0.4984405275602847
Energy: 0.8633066648189758
Energy: 0.49844052756128093
Energy: 1.4195302166856687
Energy: 0.4923801008063665
Energy: 0.8632972134858167
Energy: 0.4923801008118461
Energy: 1.2485519415142157
Energy: 0.4927784053563199
Energy: 0.8645538349914605
Energy: 0.49277840535980694
Energy: 1.245534011817431
Energy: 0.4930343988214883
Energy: 1.0844831809692015
Energy: 0.4930343988284624
Energy: 1.3049088902998245
Energy: 0.4923934289343126
Energy: 0.9164800287253355
Energy: 0.49239342893331633
Energy: 1.2472949274493066
Energy: 0.4933829297484755
Energy: 1.0847544972491088
Energy: 0.493382929746981
Energy: 1.2472132222483443
Energy: 0.5730895983050822
Energy: 1.303358679397514
Energy: 0.5730895983040859
Energy: 1.085472703235959
Energy: 0.4921037249744213
Energy: 1.1364739529388497
Energy: 0.4921037245696101
Energy: 1.026833934746456
Energy: 0.4917367936917732
Energy: 1.3037257262046085
Energy: 0.49173679362905215
Energy: 1.0849890477435875
Energy: 0.4920059449170794
Energy: 1.3575172484313738
Energy: 0.49200594491508676
Energy: 0.8634082220209959
Energy: 0.49336854580067074
Energy: 1.1346701983572078
Energy: 0.49336854581061107
Energy: 0.804202210956685
Energy: 0.4916927514478892
Energy: 1.5186045254764202
Energy: 0.4916927514488855
Energy: 0.8668867648110918
Energy: 0.49354990351924766
Energy: 1.3543619381235557
Energy: 0.49354990351775324
Energy: 0.6168668264135438
Energy: 0.49612649025874966
Energy: 1.354524040714552
Energy: 0.4961264902602441
Energy: 0.6203286454292525
Energy: 0.49255340756341714
Energy: 1.4159718801094836
Energy: 0.4925534075614245
Energy: 0.6125773814967267
Energy: 0.49127938502003327
Energy: 1.5680936762699667
Energy: 0.49127938502003327
Energy: 0.555336376239363
Energy: 0.4916936388981145
Energy: 1.5684131103883527
Energy: 0.49169363889761636
Energy: 0.552903740636156
Energy: 0.48975986253729575
Energy: 1.414435623535854
Energy: 0.48975986253829207
Energy: 0.5551844294225925
Energy: 0.4947640929978759
Energy: 1.4080085454476015
Energy: 0.49476409299588325
Energy: 0.6897662014596657
Energy: 0.4934105231539223
Energy: 1.622258728113642
Energy: 0.4934105231554167
Energy: 0.6812593332579282
Energy: 0.4918340958362929
Energy: 1.6245491265129657
Energy: 0.4918340958367911
Energy: 0.6846557761209312
Energy: 0.4919706704362749
Energy: 1.2442735699882337
Energy: 0.4919706704392638
Energy: 0.8593530164262833
Energy: 0.4916137274081465
Energy: 1.5727724260245701
Energy: 0.4916137274081465
Energy: 0.8586009754292563
Energy: 0.49129464603485234
Energy: 1.4658517145866725
Energy: 0.49129464604630974
Energy: 0.991300060802984
Energy: 0.49125690060005706
Energy: 1.2453102742971733
Energy: 0.49125690060204963
Energy: 1.0882692536209135
Energy: 0.49134953926452324
Energy: 1.4110623826541884
Energy: 0.4913495393566349
Energy: 1.086155920444557
Energy: 0.49141243231489357
Energy: 1.2481309129245264
Energy: 0.4914124324936373
Energy: 1.3075624443200746
Energy: 0.5722427824541928
Energy: 1.0253340437052894
Energy: 0.5722427824656502
Energy: 1.136396223824775
Energy: 0.6277384921616027
Energy: 1.259302530144131
Energy: 0.6277384921611046
Energy: 1.306286130405115
Energy: 0.632398087710387
Energy: 1.0274838657880618
Energy: 0.6323980877064018
Energy: 1.419297045036548
Energy: 0.4924117598150793
Energy: 1.0292306931298305
Energy: 0.49241175980362195
Energy: 1.1354164141099405
Energy: 0.49373030449941907
Energy: 0.8631507247732447
Energy: 0.4937303044999172
Energy: 1.521904977317594
Energy: 0.49238168791609477
Energy: 0.8627175865037012
Energy: 0.49238168791609477
Energy: 1.5701980643806823
Energy: 0.49293305594355347
Energy: 0.8639142253038494
Energy: 0.49293305594554604
Energy: 1.3543008964856746
Energy: 0.4966841645688488
Energy: 0.6218423378935817
Energy: 0.4966841645723358
Energy: 1.52136861534222
Energy: 0.4924793712884488
Energy: 0.6188836865473368
Energy: 0.4924793712864563
Energy: 1.5685345486557802
Energy: 0.49486488839645826
Energy: 0.6271125805876901
Energy: 0.494864888398949
Energy: 1.353847419304338
Energy: 0.494702606323627
Energy: 0.4929463877526597
Energy: 0.49470260632312885
Energy: 1.419047475101235
Energy: 0.4927470698028023
Energy: 0.49336726433985556
Energy: 0.4927470698003116
Energy: 1.4617175333820902
Energy: 0.4932686198727448
Energy: 0.4928044436909742
Energy: 0.4932686198722466

minimum gb energy = 0.48975986253729575 eV
minimum distance =  2.48390519097865 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.014733296229820092
Energy: 0.016380741083222062
Energy: 1.2554717814407534
Energy: 0.4229907597433884
Energy: 0.015824344345166316
Energy: 0.10765162905881204
Energy: 0.9316719982340858
Energy: 0.10765162905806741
Energy: 0.015605248748725422
Energy: 0.10631606126519408
Energy: 0.9313032155354963
Energy: 0.10631606126555575
Energy: 0.016771739194119114
Energy: 0.1059433047722435
Energy: 0.9298291322898874
Energy: 0.10594330477186055
Energy: 0.9332387406110167
Energy: 0.10839382734722189
Energy: 0.9324409637425218
Energy: 0.10839382734722189
Energy: 0.015422527476820139
Energy: 0.10592759947325242
Energy: 0.9300854665788224
Energy: 0.10592759947325242

minimum gb energy = 0.014733296229820092 eV
minimum distance =  2.71823816960391 Angstroms
sigma value = 1