Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371600866318
cohesive_energy=5.770453839330309
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.019000811520802373
Energy: 0.01949801845984338
Energy: 1.1969850716285095
Energy: 0.01949801845984338
Energy: 0.01949801845984338
Energy: 1.014567763888903
Energy: 0.01949801845984338
Energy: 1.014567763888903
Energy: 1.196985071629014
Energy: 0.01949801845984338
Energy: 0.019000811520802373
Energy: 0.01949801845984338
Energy: 0.019498018460377506
Energy: 1.014567763888903
Energy: 0.01949801845984338
Energy: 1.014567763888903

minimum gb energy = 0.019000811520802373 eV
minimum distance =  2.67921870834503 Angstroms
sigma value = 1


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

Energy: 1.5931177661757463
Energy: 1.4926734325687332
Energy: 1.3283600791510213
Energy: 1.4926734325700286
Energy: 1.577048696919007
Energy: 1.7368825008276572
Energy: 1.5232589179023241
Energy: 1.7368825008283049
Energy: 1.3428232335797217
Energy: 1.5371229071997459
Energy: 1.5837640228322
Energy: 1.53712290719845
Energy: 1.4373285756383842
Energy: 1.8299434713230736
Energy: 1.477066185301009
Energy: 1.8299434713230736
Energy: 1.4375445512163982
Energy: 1.9470302187873758
Energy: 1.5012543150653608
Energy: 1.9470302187873758
Energy: 1.398708856703227
Energy: 1.9751663467996199
Energy: 1.3524168344526402
Energy: 1.9751663468002676
Energy: 1.482454700036422
Energy: 1.9587106340148799
Energy: 1.6567918040561207
Energy: 1.958710634014232
Energy: 1.3522987402940605
Energy: 1.740710957921526
Energy: 1.2918518260734633
Energy: 1.7407109579195827
Energy: 1.590118995526635
Energy: 2.0002269855364205
Energy: 1.6682442316876542
Energy: 2.0002269855364205
Energy: 1.411210441655667
Energy: 1.6763233750067552
Energy: 1.3493940199822767
Energy: 1.6763233750061075
Energy: 1.6947115464533318
Energy: 1.9526189700606893
Energy: 1.3832430034050798
Energy: 1.952618970061337
Energy: 1.3433668378578836
Energy: 1.7128659409426266
Energy: 1.4199623298040975
Energy: 1.7128659409426266
Energy: 1.4546150328222456
Energy: 1.843597297027884
Energy: 1.6277697977430188
Energy: 1.843597297027884
Energy: 1.5101556657208588
Energy: 1.7214621762129676
Energy: 1.4164167089950164
Energy: 1.721462176211672
Energy: 1.458902660614438
Energy: 1.728811196211834
Energy: 1.6439950074493637
Energy: 1.728811196211834
Energy: 1.45760469543972
Energy: 1.734786459158228
Energy: 1.649243887328129
Energy: 1.7347864591575801
Energy: 1.5834635178763095
Energy: 1.6055276763249928
Energy: 1.3484679011445553
Energy: 1.6055276763249928
Energy: 1.523245878099975
Energy: 1.8496179869171945
Energy: 1.7690230017459934
Energy: 1.8496179869165468
Energy: 1.2082961043630156
Energy: 1.5564837282605624
Energy: 1.4184152152858835
Energy: 1.5564837282618578
Energy: 1.5783042183227725
Energy: 1.9960748799267085
Energy: 1.3089796994137959
Energy: 1.9960748799267085
Energy: 1.4155120875259073
Energy: 1.6250840034135252
Energy: 1.364434144274534
Energy: 1.6250840034115819
Energy: 1.6598601853525015
Energy: 1.979043296189411
Energy: 1.5490276436644212
Energy: 1.979043296189411
Energy: 1.5344234273113042
Energy: 1.7398510745163913
Energy: 1.5645883851014228
Energy: 1.7398510745163913
Energy: 1.4413428432771718
Energy: 1.960310352015349
Energy: 1.6410336521584916
Energy: 1.9603103520159966
Energy: 1.5141337776291337
Energy: 1.9750941067518735
Energy: 1.629064631962634
Energy: 1.9750941067525212
Energy: 1.43286372228192
Energy: 1.8071964890237258
Energy: 1.3138253966451872
Energy: 1.8071964890243737
Energy: 1.5049714737229556
Energy: 1.8615365668123154
Energy: 1.3347238492550977
Energy: 1.8615365668123154
Energy: 1.5322427839994777
Energy: 1.5896964799510998
Energy: 1.5786131962790644
Energy: 1.5896964799510998
Energy: 1.6649042788228134
Energy: 1.7352463689256528
Energy: 1.5271646994913846
Energy: 1.7352463689256528
Energy: 1.593808577134638
Energy: 1.7499776537830845
Energy: 1.4035648486547676
Energy: 1.7499776537824367
Energy: 1.5758951602080158
Energy: 1.7280283010256625
Energy: 1.5231154353132512
Energy: 1.7280283010263102
Energy: 1.5371987777291969
Energy: 1.5245985597733935
Energy: 1.5102750582285454
Energy: 1.5245985597740412
Energy: 1.4374240816876322
Energy: 1.8279660720808422
Energy: 1.5344195279043007
Energy: 1.8279660720795468

minimum gb energy = 1.2082961043630156 eV
minimum distance =  2.53149638397487 Angstroms
sigma value = 1


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

Energy: 1.7272961518601562
Energy: 1.791230072996483
Energy: 1.4928391365428613
Energy: 1.7912300729935289
Energy: 1.6015906966198128
Energy: 1.778577447946884
Energy: 1.5990218236425084
Energy: 1.778577447946884
Energy: 1.638211382867242
Energy: 1.8842741503268696
Energy: 1.5421172466081845
Energy: 1.8842741503268696
Energy: 1.3750505333731369
Energy: 1.906932472357494
Energy: 1.487248095185973
Energy: 1.9069324723619252
Energy: 1.3740096561667405
Energy: 2.0265075069365364
Energy: 1.6465010036257135
Energy: 2.026507506935059
Energy: 1.5091972311416189
Energy: 1.7487992686369644
Energy: 1.5677446026462247
Energy: 1.7487992686369644
Energy: 1.5416166332712493
Energy: 2.1071121111864186
Energy: 1.672566279668821
Energy: 2.1071121111886337
Energy: 1.430910448554973
Energy: 1.6895058504241385
Energy: 1.4557984467723009
Energy: 1.6895058504233997
Energy: 1.3158229776788206
Energy: 2.072129596118891
Energy: 1.5947544191793757
Energy: 2.072129596120368
Energy: 1.5139335496964152
Energy: 1.6676238962533847
Energy: 1.3311404848058896
Energy: 1.6676238962526462
Energy: 1.657447592903799
Energy: 1.9337998884943512
Energy: 1.5155714176148551
Energy: 1.9337998884950898
Energy: 1.3895651686984551
Energy: 1.7619755312654586
Energy: 1.5420938110021836
Energy: 1.7619755312617655
Energy: 1.6518560696055722
Energy: 1.7859575374985983
Energy: 1.5271632842193483
Energy: 1.7859575374985983
Energy: 1.6514655176945174
Energy: 1.785886689039348
Energy: 1.449448190004698
Energy: 1.7858866890415637
Energy: 1.3898218988505788
Energy: 1.7622984752017243
Energy: 1.5554064980914029
Energy: 1.7622984752039401
Energy: 1.6574581178606733
Energy: 1.933365502097947
Energy: 1.5987530166854924
Energy: 1.9333655020957312
Energy: 1.5139352719788972
Energy: 1.6682218972993692
Energy: 1.2712418986346725
Energy: 1.6682218972986307
Energy: 1.315939372447761
Energy: 2.0717592874887156
Energy: 1.5942722557002702
Energy: 2.0717592874887156
Energy: 1.4308823087995404
Energy: 1.6895078238641024
Energy: 1.3832209886111624
Energy: 1.689507823866318
Energy: 1.5418466041158976
Energy: 2.1071975711176654
Energy: 1.702601218362188
Energy: 2.1071975711176654
Energy: 1.5094164101677445
Energy: 1.7492434115451645
Energy: 1.4096210511934741
Energy: 1.7492434115451645
Energy: 1.3746808149192864
Energy: 2.0265722747488795
Energy: 1.5621505925583636
Energy: 2.026572274749618
Energy: 1.3750302892986157
Energy: 1.906861410233008
Energy: 1.4862213903164554
Energy: 1.906861410233008
Energy: 1.638063429428643
Energy: 1.8842743889082212
Energy: 1.5502129968377463
Energy: 1.8842743889111755
Energy: 1.60154142716736
Energy: 1.7795222438475096
Energy: 1.5990352418667237
Energy: 1.7795222438482479
Energy: 1.7272961518594174
Energy: 1.7912300729957447
Energy: 1.4717355431360355
Energy: 1.7912300729942674
Energy: 1.6015906966183355
Energy: 1.778577447946884
Energy: 1.5990218236425084
Energy: 1.7785774479476228
Energy: 1.6382113828665033
Energy: 1.8842741503268696
Energy: 1.5287960872863122
Energy: 1.8842741503268696
Energy: 1.3750505333731369
Energy: 1.906932472357494
Energy: 1.469946632800446
Energy: 1.9069324723619252

minimum gb energy = 1.2712418986346725 eV
minimum distance =  2.52301880747343 Angstroms
sigma value = 25


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

Energy: 1.6683635057238606
Energy: 1.5963300963646356
Energy: 1.654056796412675
Energy: 1.5963300963646356
Energy: 1.7255325840686557
Energy: 1.8356798560247003
Energy: 1.4953153152340866
Energy: 1.8356798560247003
Energy: 1.7763549498555675
Energy: 1.934850759775284
Energy: 1.4747823859046187
Energy: 1.9348507597761428
Energy: 1.4694985478360099
Energy: 1.9641551370791437
Energy: 1.6162172044939536
Energy: 1.9641551370791437
Energy: 1.8655486085339112
Energy: 2.1262132314014917
Energy: 1.6686440089356285
Energy: 2.1262132314014917
Energy: 1.6271833930840423
Energy: 1.7168272867401628
Energy: 1.8480936483053911
Energy: 1.7168272867410215
Energy: 1.605776294483722
Energy: 2.2229604744758085
Energy: 1.7149114328498534
Energy: 2.2229604744758085
Energy: 1.7110973114412702
Energy: 1.8534668811992292
Energy: 1.5386862850919099
Energy: 1.8534668811983706
Energy: 1.4345557303503063
Energy: 2.0320439617632573
Energy: 1.786272422807851
Energy: 2.0320439617632573
Energy: 1.6499341411012742
Energy: 1.9595648870812588
Energy: 1.4856669494012253
Energy: 1.9595648870812588
Energy: 1.7234889303796639
Energy: 1.8434635032717965
Energy: 1.7139754220383805
Energy: 1.843463503272655
Energy: 1.7339627566265712
Energy: 1.8384610781769364
Energy: 1.7157020241515213
Energy: 1.838461078177795
Energy: 1.4747586101919907
Energy: 1.832522904852718
Energy: 1.4869068923794104
Energy: 1.8325229048535767
Energy: 1.980402726714471
Energy: 2.017107852171029
Energy: 1.6861989316726713
Energy: 2.017107852171029
Energy: 1.5457491442406968
Energy: 1.7127068831548882
Energy: 1.535394835230043
Energy: 1.7127068831557466
Energy: 1.7294789662046373
Energy: 2.218355148234884
Energy: 1.7491828346559737
Energy: 2.218355148234884
Energy: 1.444423432276137
Energy: 1.7749821646880024
Energy: 1.5284948062682386
Energy: 1.7749821646888608
Energy: 1.8768866849076187
Energy: 1.881881660775043
Energy: 1.4585721296909786
Energy: 1.881881660775043
Energy: 1.4710718412993704
Energy: 1.9632037528238633
Energy: 1.6202462506617965
Energy: 1.9632037528238633
Energy: 1.6841632782343134
Energy: 1.9861592105118027
Energy: 1.4791821314801954
Energy: 1.9861592105118027
Energy: 1.577661206842724
Energy: 1.8361007684243453
Energy: 1.4756913534302356
Energy: 1.8361007684243453
Energy: 1.669296001238718
Energy: 1.8232630397445841
Energy: 1.6143951990660872
Energy: 1.8232630397445841
Energy: 1.7270069889979942
Energy: 1.8482292057281986
Energy: 1.7126772660494298
Energy: 1.8482292057281986
Energy: 1.4725930128883966
Energy: 1.919329347427704
Energy: 1.649964044911482
Energy: 1.919329347427704
Energy: 1.8545510115539579
Energy: 1.9628691388690045
Energy: 1.5513137489793363
Energy: 1.962869138868146

minimum gb energy = 1.4345557303503063 eV
minimum distance =  2.53525667537093 Angstroms
sigma value = 9


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

Energy: 1.8328896802048191
Energy: 1.8939408289670774
Energy: 1.5782660336191197
Energy: 1.893940828966053
Energy: 1.5284551187378217
Energy: 1.88372284589526
Energy: 1.7453437136007597
Energy: 1.8837228458962845
Energy: 1.5724117624690845
Energy: 1.8763335025018264
Energy: 1.6021754681987415
Energy: 1.8763335025008023
Energy: 1.8244636719935672
Energy: 1.9998363922080795
Energy: 1.7977550556703943
Energy: 1.9998363922070554
Energy: 1.8055344202787333
Energy: 1.708582812437526
Energy: 1.903899551769511
Energy: 1.708582812436502
Energy: 1.5307779297239874
Energy: 1.8228843018141934
Energy: 1.9540956704845946
Energy: 1.822884301812145
Energy: 1.6724518316501062
Energy: 1.8292186962354624
Energy: 1.8230511017113769
Energy: 1.8292186962334138
Energy: 1.604683186545727
Energy: 1.6385780139805
Energy: 1.6541540678570552
Energy: 1.6385780139825485
Energy: 1.7451925911296984
Energy: 1.8838604398619423
Energy: 1.711794530232328
Energy: 1.8838604398619423
Energy: 1.6096109921982278
Energy: 1.856536025144165
Energy: 2.159650115950129
Energy: 1.856536025144165
Energy: 1.6080088884240207
Energy: 1.8761806204296416
Energy: 1.5672796659700272
Energy: 1.8761806204296416
Energy: 1.7718462710556773
Energy: 1.8170410649372473
Energy: 2.1123647532839587
Energy: 1.8170410649372473
Energy: 1.642211798423931
Energy: 2.048495933650673
Energy: 1.4183732585720321
Energy: 2.0484959336516972
Energy: 1.4648932048250338
Energy: 1.4948107359980394
Energy: 1.6529844236964695
Energy: 1.4948107359970153
Energy: 1.6422137461072635
Energy: 2.0483590150703046
Energy: 1.5984378833707096
Energy: 2.0483590150692805
Energy: 1.77193284091478
Energy: 1.8168616916351783
Energy: 2.1118305313387467
Energy: 1.8168616916362026
Energy: 1.6082013523140888
Energy: 1.8765588634835924
Energy: 1.6053562686394676
Energy: 1.8765588634856407
Energy: 1.6095441578622585
Energy: 1.8564110768630548
Energy: 1.9399827239771832
Energy: 1.856411076864079
Energy: 1.745217393384453
Energy: 1.8838783839924707
Energy: 1.8720712646293642
Energy: 1.8838783839924707
Energy: 1.604659183403656
Energy: 1.7714807544427518
Energy: 1.6541516876097884
Energy: 1.771480754443776
Energy: 1.6724954036117374
Energy: 1.8288300464948493
Energy: 1.82305958379366
Energy: 1.8288300464958736

minimum gb energy = 1.4183732585720321 eV
minimum distance =  2.55612250501761 Angstroms
sigma value = 25


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

Energy: 1.8108497624387419
Energy: 1.8303680245613274
Energy: 1.7495698046137802
Energy: 1.830368024562594
Energy: 2.01345515825012
Energy: 2.0271215272988767
Energy: 1.7969410630206328
Energy: 2.0271215272988767
Energy: 2.185724035207413
Energy: 1.9849808021885764
Energy: 1.6474439281588955
Energy: 1.9849808021885764
Energy: 1.8517794114498338
Energy: 1.8116887002485285
Energy: 1.8170800337961739
Energy: 1.8116887002485285
Energy: 1.6752788918660058
Energy: 1.9043829231160572
Energy: 1.7730240978119505
Energy: 1.9043829231173237
Energy: 1.6393429289398427
Energy: 2.0869710812675053
Energy: 2.0292849266256945
Energy: 2.0869710812662396
Energy: 2.110910211784833
Energy: 2.019974435691076
Energy: 1.6006786124299541
Energy: 2.0199744356923426
Energy: 1.8583738536169923
Energy: 1.8486622272032471
Energy: 1.6551841705392396
Energy: 1.8486622272032471
Energy: 1.6470135634840681
Energy: 1.9416556037509594
Energy: 1.7870053020389598
Energy: 1.941655603749693
Energy: 2.0094874809038075
Energy: 1.9418687294185397
Energy: 1.7585900129594918
Energy: 1.9418687294185397
Energy: 1.510084566924488
Energy: 1.8132710026276186
Energy: 1.8618679643115974
Energy: 1.8132710026276186
Energy: 1.8317867528043175
Energy: 1.5961110260459752
Energy: 1.8675122712720715
Energy: 1.5961110260459752
Energy: 1.713679678135745
Energy: 1.9979891101420615
Energy: 1.794405450719798
Energy: 1.997989110143328
Energy: 1.8009292494218143
Energy: 1.9626710134867134
Energy: 1.8514131712764095
Energy: 1.9626710134867134
Energy: 1.7832765899281646
Energy: 1.9069149468483793
Energy: 1.8995281412663094
Energy: 1.9069149468496458
Energy: 1.7834700545847024
Energy: 1.9978315034725893
Energy: 1.6396431171170012
Energy: 1.9978315034725893
Energy: 1.829370781253074
Energy: 1.8685019785753998
Energy: 1.8683769867349211
Energy: 1.8685019785753998

minimum gb energy = 1.510084566924488 eV
minimum distance =  2.56344317039171 Angstroms
sigma value = 17


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

Energy: 1.7853297150529432
Energy: 1.8884739135566773
Energy: 1.945576314901997
Energy: 1.888473913557395
Energy: 1.9726585973359139
Energy: 2.024993326673108
Energy: 1.8283481195193578
Energy: 2.024993326673108
Energy: 2.005612705325558
Energy: 1.8827189429221731
Energy: 1.7452220362327981
Energy: 1.8827189429228903
Energy: 1.811371841965833
Energy: 1.9130028411738564
Energy: 1.8334506734581
Energy: 1.9130028411724216
Energy: 1.9780683475897134
Energy: 2.080507950685748
Energy: 1.935594440361885
Energy: 2.080507950687182
Energy: 1.7508010876750235
Energy: 2.069775984451954
Energy: 2.1822352208839115
Energy: 2.0697759844526713
Energy: 1.7243812561039447
Energy: 2.0165235234920944
Energy: 1.752880758810864
Energy: 2.0165235234928116
Energy: 1.7790862024082446
Energy: 1.9187658059520323
Energy: 1.746540864963567
Energy: 1.91876580595275
Energy: 1.8126113385795448
Energy: 1.9581962993169253
Energy: 1.8477362523284782
Energy: 1.9581962993176425
Energy: 2.1101822903465615
Energy: 1.9667380999652873
Energy: 1.7970841522538246
Energy: 1.9667380999652873
Energy: 1.7395603070542855
Energy: 2.0012441373372227
Energy: 2.068562287780637
Energy: 2.001244137336505
Energy: 1.8478376119453876
Energy: 2.091852610482621
Energy: 1.762952453437618
Energy: 2.0918526104819035
Energy: 2.199866160295351
Energy: 1.9008439711346008
Energy: 1.7520814005523282
Energy: 1.9008439711338834
Energy: 1.7413181587599769
Energy: 2.0622984428394657
Energy: 1.969096708055825
Energy: 2.0622984428394657
Energy: 1.8989817834987848
Energy: 1.9598293560744617
Energy: 1.953697196613216
Energy: 1.9598293560744617
Energy: 1.838875671271997
Energy: 2.001045123339838
Energy: 1.710488535928228
Energy: 2.001045123339838
Energy: 1.8372958210297468
Energy: 1.8995428687805167
Energy: 2.0185304000516497
Energy: 1.899542868781234
Energy: 2.1220039690860917
Energy: 1.8626779183574376
Energy: 1.7508517481264632
Energy: 1.86267791835672
Energy: 1.672279381657405
Energy: 1.9928883804305169
Energy: 1.805294471760909
Energy: 1.9928883804305169
Energy: 1.8299520208328304
Energy: 2.0203048433034976
Energy: 1.8069588902523528
Energy: 2.02030484330278
Energy: 1.7381147331115117
Energy: 1.907848338763098
Energy: 1.9211179328358816
Energy: 1.9078483387616632
Energy: 1.7136028433576393
Energy: 2.171113676492271
Energy: 2.011198363925502
Energy: 2.171113676492271
Energy: 1.755993538651805
Energy: 1.975632444410023
Energy: 1.6206081873516542
Energy: 1.9756324444114575
Energy: 1.858160300952764
Energy: 2.016655814010447
Energy: 1.8820710705875017
Energy: 2.01665581400973
Energy: 1.8292003017659941
Energy: 2.042582747971953
Energy: 2.1962066194025534
Energy: 2.042582747971236
Energy: 1.8745442173771578
Energy: 1.9457840465449334
Energy: 1.749104383928172
Energy: 1.9457840465449334
Energy: 1.7142553127686502
Energy: 2.1415634768345937
Energy: 2.0902457408216084
Energy: 2.1415634768345937
Energy: 1.8454471698264423
Energy: 1.9993755360961005
Energy: 1.8392133210783252
Energy: 1.999375536095383
Energy: 2.014716141014864
Energy: 2.161988534607103
Energy: 1.8410984651522686
Energy: 2.161988534606386
Energy: 1.7462865450241487
Energy: 1.9705567954827627
Energy: 1.7750714054366559
Energy: 1.9705567954820455

minimum gb energy = 1.6206081873516542 eV
minimum distance =  2.51102976258002 Angstroms
sigma value = 53


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

Energy: 1.5522164489984123
Energy: 1.8364290096173512
Energy: 1.943405845048149
Energy: 1.8364290096190028
Energy: 2.0522583930951575
Energy: 1.9985975992229312
Energy: 1.4936649000681548
Energy: 1.9985975992229312
Energy: 1.7892999561264555
Energy: 1.5970827247358794
Energy: 1.811090359795812
Energy: 1.597082724737531
Energy: 1.7893342926032425
Energy: 1.5973568638309934
Energy: 1.6114422910713588
Energy: 1.5973568638326452
Energy: 2.0519920692217952
Energy: 1.998228476091199
Energy: 1.7413170188161669
Energy: 1.998228476091199
Energy: 1.5522164489984123
Energy: 1.8364290096173512
Energy: 2.101434103878837
Energy: 1.8364290096190028
Energy: 2.0522583930935063
Energy: 1.9985975992229312
Energy: 1.4936649000681548
Energy: 1.9985975992229312
Energy: 1.7892999561264555
Energy: 1.5970827247358794
Energy: 1.8110903597974632
Energy: 1.597082724737531
Energy: 1.7893342926032425
Energy: 1.5973568638326452
Energy: 1.6055466010997725
Energy: 1.5973568638326452
Energy: 2.0519920692217952
Energy: 1.998228476091199
Energy: 1.7115657440176248
Energy: 1.998228476091199
Energy: 1.5522164489984123
Energy: 1.8364290096173512
Energy: 2.1014341038755333
Energy: 1.8364290096190028
Energy: 2.0522583930951575
Energy: 1.9985975992229312
Energy: 1.6316139150122984
Energy: 1.9985975992245826
Energy: 1.7892999561264555
Energy: 1.5970827247358794
Energy: 1.811090359795812
Energy: 1.597082724737531

minimum gb energy = 1.4936649000681548 eV
minimum distance =  2.57154695159908 Angstroms
sigma value = 9


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

Energy: 1.6193887385269738
Energy: 1.9472473342291132
Energy: 2.101255850226076
Energy: 1.9472473342291132
Energy: 2.2378016459263574
Energy: 1.8591377840357983
Energy: 1.811798585189577
Energy: 1.8591377840351868
Energy: 1.829010709769503
Energy: 2.1251751173750635
Energy: 1.790002544371183
Energy: 2.125175117374452
Energy: 1.9609001364049583
Energy: 1.9973450698200574
Energy: 1.8462428895458258
Energy: 1.997345069820669
Energy: 2.1464804611949537
Energy: 1.9477857664112426
Energy: 1.7648501042382303
Energy: 1.9477857664118536
Energy: 1.6114398746380156
Energy: 1.9146211561853617
Energy: 2.1531819832245516
Energy: 1.9146211561853617
Energy: 2.3285509915121403
Energy: 2.057511282057656
Energy: 2.0187010351854915
Energy: 2.057511282061935
Energy: 1.9120191742545154
Energy: 1.9598087403845383
Energy: 2.0402405581608036
Energy: 1.9598087403875948
Energy: 2.051813510682933
Energy: 1.989539999246547
Energy: 1.7820100872054176
Energy: 1.989539999245936
Energy: 1.8668233334749946
Energy: 2.1834563753504663
Energy: 1.9777473326400319
Energy: 2.1834563753504663
Energy: 1.8338472327303612
Energy: 1.983176708859955
Energy: 2.173013334670408
Energy: 1.9831767088581214
Energy: 2.1242552661003757
Energy: 2.2310880881536876
Energy: 1.8033721446561006
Energy: 2.231088088153076
Energy: 1.8408658329343028
Energy: 2.0953242951315536
Energy: 1.9907916476905068
Energy: 2.0953242951315536
Energy: 2.341423710686867
Energy: 1.9883563388987269
Energy: 1.7532599217439544
Energy: 1.9883563388987269
Energy: 1.8574129782064217
Energy: 2.0604662823782838
Energy: 2.1430423765880664
Energy: 2.060466282373394
Energy: 1.757324763665632
Energy: 2.038634618668437
Energy: 1.8332299092200735
Energy: 2.038634618668437
Energy: 1.964422147739908
Energy: 1.9466994175859675
Energy: 1.9769881593771017
Energy: 1.9466994175841337
Energy: 1.8361263611056748
Energy: 1.9725819372294175
Energy: 2.338350230787239
Energy: 1.9725819372312514
Energy: 2.119905875594029
Energy: 1.951396154140511
Energy: 1.7769160667477346
Energy: 1.951396154140511
Energy: 1.809120813526595
Energy: 2.0581763291741013
Energy: 2.2128790175903688
Energy: 2.0581763291759354
Energy: 1.9192725245948588
Energy: 1.9524573183607996
Energy: 1.840098160989551
Energy: 1.9524573183632448
Energy: 2.0751320468344203
Energy: 2.172401884115841
Energy: 1.81426626331819
Energy: 2.1724018841188966
Energy: 1.7389971412096052
Energy: 1.783904524726734
Energy: 1.8460173998314702
Energy: 1.7839045247255119
Energy: 2.128855498068595
Energy: 1.9298545565746494
Energy: 1.6863099685364697
Energy: 1.9298545565734824
Energy: 1.895057337659357
Energy: 2.3467176112571195
Energy: 2.255784594753696
Energy: 2.346717611255897
Energy: 1.7792037233497107
Energy: 2.0468353828287857
Energy: 1.6609436549699124
Energy: 2.0468353828293973
Energy: 2.0312247682921534
Energy: 2.000356614633695
Energy: 2.122188545442585
Energy: 2.000356614633084
Energy: 1.8580601080228671
Energy: 1.9921128727064141
Energy: 2.0440922962836394
Energy: 1.9921128727094706
Energy: 1.7879679834072246
Energy: 1.9050305166074921
Energy: 1.6610386328638032
Energy: 1.9050305166062695
Energy: 1.8846015233772773
Energy: 2.1966185160216147
Energy: 2.143773282994242
Energy: 2.1966185160216147
Energy: 1.9704017449979758
Energy: 1.9662193037943076
Energy: 1.71466049220155
Energy: 1.966219303792474
Energy: 1.8597430465126825
Energy: 1.9876798474411443
Energy: 1.9104063187636513
Energy: 1.9876798474399218
Energy: 1.7640410064880845
Energy: 2.1891801943799285
Energy: 1.8014859008410495
Energy: 2.1891801943805405
Energy: 1.9254419749866942
Energy: 2.008640183469034
Energy: 1.8737877089664072
Energy: 2.008640183470868
Energy: 1.8256596193383232
Energy: 2.3213299063954924
Energy: 2.125907847610258
Energy: 2.3213299063936583

minimum gb energy = 1.6114398746380156 eV
minimum distance =  2.52546504181698 Angstroms
sigma value = 73


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

Energy: 1.5888816213296812
Energy: 1.9354192817445899
Energy: 2.2068659259918086
Energy: 1.9354192817445899
Energy: 2.0350826075810837
Energy: 2.157566376244078
Energy: 1.7613337182533482
Energy: 2.157566376245048
Energy: 2.102228746780275
Energy: 1.7950590701371882
Energy: 1.651423938522982
Energy: 1.7950590701371882
Energy: 1.8719931811633712
Energy: 2.0380743099330423
Energy: 1.938497096476734
Energy: 2.0380743099330423
Energy: 1.9485333244388656
Energy: 1.9532464180133011
Energy: 1.734224010387237
Energy: 1.9532464180142708
Energy: 1.7504464889006266
Energy: 1.9342269034871662
Energy: 2.0967792133020895
Energy: 1.9342269034871662
Energy: 2.291326291499182
Energy: 2.176773104495534
Energy: 2.098661037592382
Energy: 2.1767731044965037
Energy: 1.7618773050932226
Energy: 2.106188045227777
Energy: 2.2387875388778142
Energy: 2.1061880452268076
Energy: 2.276826522535193
Energy: 1.7964789588625887
Energy: 1.6594855470213135
Energy: 1.7964789588616188
Energy: 1.7596089013770522
Energy: 1.8740426747718015
Energy: 1.8449229838565298
Energy: 1.8740426747718015
Energy: 1.6905163758223216
Energy: 1.850771803991824
Energy: 2.1140512498981545
Energy: 1.850771803991824
Energy: 2.1757936839735583
Energy: 2.193873906740995
Energy: 1.7587866137330075
Energy: 2.1938739067400252
Energy: 1.9210963457454622
Energy: 1.8846925682002191
Energy: 2.2896549551913554
Energy: 1.8846925681982796
Energy: 2.025700422921539
Energy: 1.9424568104293534
Energy: 1.7080136388769027
Energy: 1.9424568104293534
Energy: 1.737511057451303
Energy: 2.3350331680382843
Energy: 2.3902180412197
Energy: 2.335033168037315
Energy: 2.1354440402044434
Energy: 2.119435492253524
Energy: 1.6604926182447315
Energy: 2.119435492252554
Energy: 1.9975717562874071
Energy: 1.8318123137184397
Energy: 1.828511315086905
Energy: 1.8318123137184397
Energy: 2.001377611933628
Energy: 1.8210776796715769
Energy: 1.8035937094519279
Energy: 1.8210776796715769
Energy: 1.7064225779650872
Energy: 2.0261039768181006
Energy: 1.6607010399098106
Energy: 2.0261039768181006
Energy: 1.7898850065708536
Energy: 2.311746944549302
Energy: 2.207023162832023
Energy: 2.3117469445502725
Energy: 2.0747367353957484
Energy: 1.9767391836255497
Energy: 1.7911734845828267
Energy: 1.9767391836255497
Energy: 1.9062237128488577
Energy: 1.785164482237892
Energy: 2.094993532867779
Energy: 1.785164482237892

minimum gb energy = 1.5888816213296812 eV
minimum distance =  2.49961109827316 Angstroms
sigma value = 7


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

Energy: 1.551337456961069
Energy: 1.9420840667837425
Energy: 2.2234412985135883
Energy: 1.9420840667837425
Energy: 2.2510225000874824
Energy: 2.2851620135715125
Energy: 1.7775891988533914
Energy: 2.285162013572884
Energy: 1.7206374072192099
Energy: 2.201689133111641
Energy: 1.7809991954627546
Energy: 2.20168913311027
Energy: 2.024375970294711
Energy: 1.9785350596258304
Energy: 1.8486476595893937
Energy: 1.9785350596251448
Energy: 1.790849480475881
Energy: 1.8541118659609128
Energy: 1.8278172912223138
Energy: 1.8541118659622842
Energy: 1.5525129532354014
Energy: 1.984987950749343
Energy: 2.090912143007052
Energy: 1.984987950750029
Energy: 2.27858838736405
Energy: 2.233905866774966
Energy: 2.0252910825954507
Energy: 2.2339058667742804
Energy: 1.5528472913955094
Energy: 2.1134032575311474
Energy: 2.2432072353880566
Energy: 2.1134032575311474
Energy: 2.1886406866843298
Energy: 1.9437252009769694
Energy: 1.6798622182881906
Energy: 1.9437252009755979
Energy: 1.622118600812469
Energy: 2.2794630880537334
Energy: 2.248266721579042
Energy: 2.279463088051676
Energy: 1.7507132750748853
Energy: 2.0394863452932666
Energy: 1.8427184235427825
Energy: 2.0394863452912095
Energy: 1.7676307862917044
Energy: 2.1357521819184275
Energy: 1.8454369571684062
Energy: 2.135752181919113
Energy: 1.7596551284258681
Energy: 1.9152400886908165
Energy: 1.8083980892556066
Energy: 1.9152400886915024
Energy: 1.8558274646278488
Energy: 1.974441883374369
Energy: 1.8609361619746323
Energy: 1.9744418833764263
Energy: 1.7531246590304204
Energy: 1.9557346810190834
Energy: 2.250055614939593
Energy: 1.9557346810170264
Energy: 2.1125287111090576
Energy: 1.9477383069086294
Energy: 1.6756984927170706
Energy: 1.9477383069079437
Energy: 1.78990714889579
Energy: 1.7603092190427068
Energy: 2.0683369001595002
Energy: 1.7603092190399638
Energy: 1.826648032387299
Energy: 2.2165238083486267
Energy: 1.920514829869973
Energy: 2.2165238083486267
Energy: 1.7268871824577743
Energy: 1.843026686379747
Energy: 1.9377482339489929
Energy: 1.843026686380433
Energy: 1.676129166451955
Energy: 1.87001136826679
Energy: 1.948694802364891
Energy: 1.8700113682633612
Energy: 2.2067399627960107
Energy: 1.942948832330614
Energy: 1.6506926714335637
Energy: 1.942948832331986
Energy: 1.6237810345661419
Energy: 1.9302035048208706
Energy: 2.1176678219279617
Energy: 1.9302035048208706
Energy: 2.234389816515596
Energy: 2.203408045923879
Energy: 1.77956395960479
Energy: 2.203408045924565
Energy: 1.5563242361858076
Energy: 1.9435200006878992
Energy: 2.244837873814364
Energy: 1.9435200006885847
Energy: 2.240483760935824
Energy: 2.1372210241435163
Energy: 1.7687115839439085
Energy: 2.1372210241442025
Energy: 1.7600920915429668
Energy: 2.0212163893020834
Energy: 1.8612888096177307
Energy: 2.021216389300026
Energy: 1.752075952502012
Energy: 1.9750732354101392
Energy: 1.943568848188124
Energy: 1.9750732354108251
Energy: 2.1739569331983137
Energy: 1.830675567828636
Energy: 1.6751339919501604
Energy: 1.8306755678279503
Energy: 1.6501379161058458
Energy: 2.033527246650912
Energy: 2.0949432010792135
Energy: 2.033527246650912
Energy: 2.2378514152549354
Energy: 2.3415662517202174
Energy: 1.8691394553171676
Energy: 2.3415662517195313
Energy: 1.6501180507120434
Energy: 2.1262870079135796
Energy: 2.0145682957523876
Energy: 2.1262870079135796

minimum gb energy = 1.551337456961069 eV
minimum distance =  2.53016212648574 Angstroms
sigma value = 29


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

Energy: 2.1618849705451195
Energy: 1.3092770048261333
Energy: 1.692715693585809
Energy: 1.3092770048261333
Energy: 2.132026629890837
Energy: 1.9864960831275262
Energy: 1.719061482073286
Energy: 1.9864960831251905
Energy: 1.270471365377894
Energy: 1.5660188774225023
Energy: 2.118284376401788
Energy: 1.5660188774248378
Energy: 1.7179006289478995
Energy: 1.777512484979415
Energy: 1.7190131010454164
Energy: 1.777512484979415
Energy: 1.7168179608794027
Energy: 1.5404471219784113
Energy: 1.6778363516935693
Energy: 1.5404471219784113
Energy: 1.7246844092958282
Energy: 1.8085148916510112
Energy: 1.7243511752177956
Energy: 1.8085148916510112
Energy: 1.2697523548172602
Energy: 1.54043370756669
Energy: 1.7169351699426956
Energy: 1.5404337075690255
Energy: 1.7189500704738692
Energy: 1.7777130471378715
Energy: 1.7177782561021788
Energy: 1.7777130471378715
Energy: 2.118211652696246
Energy: 1.566248066375366
Energy: 1.3590321121865108
Energy: 1.5662480663613523

minimum gb energy = 1.2697523548172602 eV
minimum distance =  2.52921451758847 Angstroms
sigma value = 5


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

Energy: 1.5260801178751493
Energy: 1.8508697968390007
Energy: 2.0872152277032283
Energy: 1.8508697968396484
Energy: 2.2931172626835035
Energy: 2.0266383625112105
Energy: 1.5282746002446668
Energy: 2.026638362510563
Energy: 1.5815651865094325
Energy: 1.754910603751818
Energy: 2.026955715949773
Energy: 1.7549106037505227
Energy: 1.4514710651385505
Energy: 1.6104584533062813
Energy: 1.5273384712379774
Energy: 1.6104584533062813
Energy: 1.5335989985713383
Energy: 1.7494192702003193
Energy: 2.1102631282387323
Energy: 1.749419270201615
Energy: 1.8188115474298192
Energy: 1.6657327079222115
Energy: 1.4021582499397443
Energy: 1.665732707924155
Energy: 1.5346886395283361
Energy: 1.7215828490985021
Energy: 1.4479268306397648
Energy: 1.7215828490985021
Energy: 1.5297657109859382
Energy: 2.202109440706191
Energy: 1.4567073287193302
Energy: 2.202109440706191
Energy: 1.904358891041796
Energy: 1.7658796708812319
Energy: 1.5366788769941295
Energy: 1.7658796708818798
Energy: 1.644139445984195
Energy: 1.7206661335883358
Energy: 1.431012367499012
Energy: 1.7206661335863926
Energy: 1.7253626557750263
Energy: 2.2116487480669016
Energy: 1.5618076777925136
Energy: 2.211648748065606
Energy: 1.5333631979316815
Energy: 1.9737850174055478
Energy: 1.5901232101324985
Energy: 1.9737850174061957
Energy: 1.587935664455775
Energy: 1.8530108183767189
Energy: 1.4994312849059759
Energy: 1.8530108183760712
Energy: 1.7807972194289734
Energy: 2.0366751115883797
Energy: 2.2757012223122044
Energy: 2.036675111589027
Energy: 2.2396401984898286
Energy: 2.2427798658863654
Energy: 1.5616184403927835
Energy: 2.242779865887013
Energy: 1.509148074332178
Energy: 1.3137814332664117
Energy: 2.262532085235624
Energy: 1.3137814332677071
Energy: 2.1636298347528484
Energy: 1.802655554885123
Energy: 1.6181370017342596
Energy: 1.802655554885123
Energy: 1.7620309362626183
Energy: 1.7994409664131303
Energy: 2.180041092937172
Energy: 1.799440966414426
Energy: 1.7655576611748571
Energy: 1.6657585203577445
Energy: 1.5270812304313874
Energy: 1.6657585203583922
Energy: 1.6727787106704903
Energy: 2.0604754521343125
Energy: 1.6765868986124153
Energy: 2.0604754521343125
Energy: 1.3962807360322202
Energy: 2.1203401186515967
Energy: 1.529629192351271
Energy: 2.1203401186515967
Energy: 1.6489755933512804
Energy: 1.718733663552002
Energy: 1.6455774173340112
Energy: 1.7187336635507067
Energy: 1.654982676925942
Energy: 2.2075287582223746
Energy: 1.4544123682867534
Energy: 2.2075287582223746
Energy: 1.5920363073887365
Energy: 1.7525808162519076
Energy: 1.5276061925404245
Energy: 1.7525808162525556
Energy: 1.5866026708007683
Energy: 1.7044154131956852
Energy: 1.4219444174546598
Energy: 1.7044154131950373
Energy: 2.026785405787454
Energy: 1.8952070913371244
Energy: 1.9219015763780665
Energy: 1.8952070913397157
Energy: 1.4435202952728141
Energy: 1.7285607269764616
Energy: 1.6822119695821183
Energy: 1.7285607269764616
Energy: 2.1408869363404746
Energy: 2.0213482927000634
Energy: 1.509017336627958
Energy: 2.021348292700711
Energy: 1.6925440382249635
Energy: 2.0733978983189227
Energy: 2.2610497888535273
Energy: 2.0733978983189227
Energy: 2.4299050420703074
Energy: 1.7562739377950176
Energy: 1.7617524141247263
Energy: 1.756273937793074
Energy: 1.4004940841741402
Energy: 1.3031403553150458
Energy: 2.1856526908448797
Energy: 1.3031403553124548
Energy: 2.145169346234701
Energy: 1.8369626736812186
Energy: 1.6927877511633729
Energy: 1.8369626736805706
Energy: 1.5126606859011598
Energy: 2.022231882043255
Energy: 1.3935162899096418
Energy: 2.0222318820445504

minimum gb energy = 1.3031403553124548 eV
minimum distance =  2.52289970860849 Angstroms
sigma value = 1


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

Energy: 1.4063910313378085
Energy: 1.6417119948875083
Energy: 2.2154824947826826
Energy: 1.6417119948866128
Energy: 2.2214764017862314
Energy: 2.0255326252491095
Energy: 1.475463010406984
Energy: 2.0255326252509005
Energy: 1.2504520297719341
Energy: 1.7848506544796217
Energy: 1.9820863260003958
Energy: 1.7848506544805174
Energy: 1.496600314279806
Energy: 1.8503413400469786
Energy: 1.4942899593222487
Energy: 1.8503413400469786
Energy: 1.2638646658328625
Energy: 1.7521067264393908
Energy: 2.2914171727514527
Energy: 1.752106726438495
Energy: 1.2622257697192518
Energy: 2.1732279179201455
Energy: 1.5755695157514635
Energy: 2.1732279179201455
Energy: 1.3340364736061259
Energy: 1.7479946763090481
Energy: 1.516526265358827
Energy: 1.7479946763090481
Energy: 1.3263567580046443
Energy: 2.1978235839169913
Energy: 1.581618106430669
Energy: 2.1978235839169913
Energy: 1.4422936241314426
Energy: 1.3610996636970631
Energy: 1.5484371733826698
Energy: 1.3610996636979587
Energy: 1.442148429168221
Energy: 1.7831958079586734
Energy: 1.437270208699156
Energy: 1.7831958079586734
Energy: 1.4889335913025779
Energy: 2.2313919579119035
Energy: 1.6337902470025798
Energy: 2.2313919579119035
Energy: 1.2506312669850366
Energy: 1.7110263258897036
Energy: 1.5143742650070167
Energy: 1.7110263258897036
Energy: 1.3347628435194148
Energy: 1.5754547059767705
Energy: 1.34008181541866
Energy: 1.5754547059767705
Energy: 1.2754217465671707
Energy: 1.7968739454831386
Energy: 2.0143939074188495
Energy: 1.7968739454831386
Energy: 1.6983738481983561
Energy: 1.6518171811202926
Energy: 1.3389070780864047
Energy: 1.651817181119397
Energy: 1.250554146299485
Energy: 1.3932496860150554
Energy: 1.5345005962896077
Energy: 1.3932496860141597
Energy: 2.1960358359434458
Energy: 1.97067056261979
Energy: 1.5501164094110635
Energy: 1.9706705626206857
Energy: 1.4063910313378085
Energy: 1.6417119948866128
Energy: 1.9049122096137554
Energy: 1.6417119948866128
Energy: 2.2214764017862314
Energy: 2.0255326252491095
Energy: 1.475463010406984
Energy: 2.0255326252517962
Energy: 1.2504520297710384
Energy: 1.7848506544796217
Energy: 1.9820863260003958
Energy: 1.7848506544796217
Energy: 1.496600683171688
Energy: 1.8503413400469786
Energy: 1.4942899593222487
Energy: 1.8503413400460829
Energy: 1.2638646658328625
Energy: 1.7521067264393908
Energy: 2.2914171727514527
Energy: 1.7521067264393908
Energy: 1.262225769721043
Energy: 2.1732279179210408
Energy: 1.5755695157505678
Energy: 2.1732279179192497
Energy: 1.3340364736061259
Energy: 1.7479946763090481
Energy: 1.4565288745546294
Energy: 1.7479946763090481

minimum gb energy = 1.2504520297710384 eV
minimum distance =  2.49807866819655 Angstroms
sigma value = 17


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

Energy: 1.2626538432397978
Energy: 1.262840335251528
Energy: 2.141975120753067
Energy: 1.2628403352736717
Energy: 2.1904267749314514
Energy: 1.6665865784552303
Energy: 1.5266318773907284
Energy: 1.666586578451909
Energy: 1.6265417096454293
Energy: 1.404722957559961
Energy: 1.7810617148350354
Energy: 1.404722957559961
Energy: 1.586239028574005
Energy: 1.6091854940291717
Energy: 1.3251476766942294
Energy: 1.6091854940291717
Energy: 1.542130205932002
Energy: 1.7570820246123597
Energy: 2.1133279475819515
Energy: 1.7570820246118062
Energy: 1.2685986542889063
Energy: 2.0944407278564556
Energy: 1.4349692859190475
Energy: 2.0944407278553485
Energy: 1.5312466794237518
Energy: 1.6983277902345137
Energy: 1.5761487219524013
Energy: 1.69832779023396
Energy: 1.5331810807070516
Energy: 1.7489553210501645
Energy: 1.4371891649585014
Energy: 1.7489553210462891
Energy: 1.4729150048448643
Energy: 1.7614737845042512
Energy: 1.467688938727708
Energy: 1.7614737845042512
Energy: 1.4765879704073577
Energy: 1.9793694344602257
Energy: 1.5341655897609958
Energy: 1.9793694344618864
Energy: 1.4331307441358252
Energy: 2.1920683189087966
Energy: 1.550600471528279
Energy: 2.1920683189087966
Energy: 1.532818142528834
Energy: 1.414724626456928
Energy: 1.43861525704431
Energy: 1.414724626456928
Energy: 1.3536579097525994
Energy: 2.3689017565918604
Energy: 1.5479615227686643
Energy: 2.368901756591307
Energy: 1.4355686658607962
Energy: 1.7141475354743894
Energy: 1.5894735843268282
Energy: 1.7141475354760503
Energy: 1.5290891308249361
Energy: 2.1842690407894536
Energy: 1.4787495566522528
Energy: 2.1842690407889003
Energy: 1.7550559958686611
Energy: 1.7741834343899245
Energy: 1.8543505150959017
Energy: 1.7741834343899245
Energy: 1.8743253114074416
Energy: 1.6117604661965201
Energy: 1.4335080391683772
Energy: 1.6117604661976273
Energy: 1.4145585896356143
Energy: 1.517279055565604
Energy: 2.0034341197235186
Energy: 1.51727905559273
Energy: 2.1717942147776506
Energy: 2.0907200285280925
Energy: 1.5269470141852128
Energy: 2.0907200285280925
Energy: 1.4254636136536236
Energy: 1.2496601651052466
Energy: 2.3486321410239483
Energy: 1.249660165106354
Energy: 2.2565770262543623
Energy: 1.713638553492443
Energy: 1.4261973007055833
Energy: 1.713638553492443
Energy: 1.534444733934359
Energy: 1.8214041986793004
Energy: 2.1610249908151093
Energy: 1.821404198679854
Energy: 1.5839657133325953
Energy: 1.6202864692944605
Energy: 1.5354374742693877
Energy: 1.6202864692927996
Energy: 1.528688117252869
Energy: 1.742633034842475
Energy: 2.165738660135946
Energy: 1.742633034842475
Energy: 1.8084653464062825
Energy: 1.518008296149297
Energy: 1.323374885177836
Energy: 1.5180082961481898
Energy: 1.5292229003611528
Energy: 1.6144941842332154
Energy: 1.5470536895701208
Energy: 1.6144941842354297
Energy: 1.6981712386598122
Energy: 2.385720225448964
Energy: 1.757290732636178
Energy: 2.3857202254500707
Energy: 1.4817715988153424
Energy: 2.238245047654508
Energy: 1.527561150189356
Energy: 2.238245047654508
Energy: 1.5881927799656668
Energy: 1.6057119842371728
Energy: 1.438132489013457
Energy: 1.6057119842377265
Energy: 1.5284045000048638
Energy: 2.329597710734946
Energy: 1.586008850413226
Energy: 2.329597710734946
Energy: 1.4357831344613743
Energy: 1.341917002293058
Energy: 1.5338355886451704
Energy: 1.3419170022919507
Energy: 1.5539755209281019
Energy: 2.1941068784674185
Energy: 1.430021127863463
Energy: 2.1941068784668647
Energy: 1.5333244665040155
Energy: 1.9755883801997094
Energy: 1.61687328955303
Energy: 1.9755883801963876
Energy: 1.4700557214284995
Energy: 1.7605300358907592
Energy: 1.536888465232585
Energy: 1.7605300358874376
Energy: 1.4346371575615744
Energy: 1.7588345264934278
Energy: 1.6703311340642397
Energy: 1.7588345264928744
Energy: 2.02478781506519
Energy: 1.6981273328661832
Energy: 1.4322863997079536
Energy: 1.6981273328656294
Energy: 1.5361931303566203
Energy: 2.0548220166580498
Energy: 1.3806272697079216
Energy: 2.0548220166574964
Energy: 2.173763140730426
Energy: 1.7570302981253887
Energy: 1.6477241762936006
Energy: 1.7570302981253887

minimum gb energy = 1.2496601651052466 eV
minimum distance =  2.48587426301982 Angstroms
sigma value = 89


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

Energy: 1.123675932842648
Energy: 1.124359376061621
Energy: 1.7432186204432232
Energy: 1.124359376061621
Energy: 1.9388354690122143
Energy: 1.1581571441086023
Energy: 1.3994850709675175
Energy: 1.1581571441100509
Energy: 1.6704816757738108
Energy: 1.814114215519818
Energy: 2.110788744715253
Energy: 1.814114215519818
Energy: 1.6922483338594096
Energy: 1.1585534590612194
Energy: 1.3995306553823055
Energy: 1.1585534590612194
Energy: 1.402275902910355
Energy: 1.6899201407423554
Energy: 2.1577486204526246
Energy: 1.6899201407409068
Energy: 1.1369127175232243
Energy: 1.124986845697189
Energy: 1.1276677316652948
Energy: 1.1249868456957406
Energy: 1.4027391411847405
Energy: 1.7760919330221498
Energy: 1.9244896920859818
Energy: 1.7760919330221498
Energy: 1.4442702086938992
Energy: 2.057909327552723
Energy: 1.399600916300274
Energy: 2.0579093275512745
Energy: 1.4038579340440456
Energy: 1.2451356236900204
Energy: 1.280719561665245
Energy: 1.2451356236900204
Energy: 1.6837368961426786
Energy: 1.6872546755360704
Energy: 1.4002245245652758
Energy: 1.6872546755360704
Energy: 1.4020722882234178
Energy: 1.1587476169657291
Energy: 1.4000731454050492
Energy: 1.1587476169671778
Energy: 1.9259589061466587
Energy: 1.7755420890357703
Energy: 1.399927882316749
Energy: 1.7755420890372189
Energy: 1.4041316846310075
Energy: 1.625521982157993
Energy: 1.4199181356101285
Energy: 1.625521982157993
Energy: 1.400354591477528
Energy: 1.2419767255683265
Energy: 1.40000715976423
Energy: 1.2419767255683265
Energy: 1.163397025223976
Energy: 1.6254515704766053
Energy: 1.404137934318142
Energy: 1.6254515704751569

minimum gb energy = 1.123675932842648 eV
minimum distance =  2.50311554344779 Angstroms
sigma value = 13


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

Energy: 1.1257876862026197
Energy: 1.416966807983676
Energy: 1.7817778039479824
Energy: 1.416966807983069
Energy: 1.9831082056600624
Energy: 1.4351403050525908
Energy: 1.2977337614029842
Energy: 1.4351403050538047
Energy: 1.3022777330826896
Energy: 1.4545133928973726
Energy: 1.4887815930881698
Energy: 1.4545133928967655
Energy: 1.420538238824379
Energy: 1.4360267975864007
Energy: 1.1892064502143191
Energy: 1.4360267975876149
Energy: 1.4238002606832243
Energy: 2.320236706919154
Energy: 1.6819171291893382
Energy: 2.3202367069215817
Energy: 1.3113643285501275
Energy: 1.2773612144207773
Energy: 1.2129443461731193
Energy: 1.2773612144183488
Energy: 1.3095198513531987
Energy: 1.8198441058624806
Energy: 1.9789987128151243
Energy: 1.8198441058606594
Energy: 1.0902939840064705
Energy: 1.475028883212285
Energy: 1.2131235235243865
Energy: 1.4750288832147134
Energy: 1.309517679022485
Energy: 1.7391272391727481
Energy: 1.876398377420035
Energy: 1.7391272391697126
Energy: 1.520997772953708
Energy: 2.3566193103341866
Energy: 1.1893155463474072
Energy: 2.3566193103293296
Energy: 1.3095592971158523
Energy: 1.3606667644151325
Energy: 1.3189159066600953
Energy: 1.3606667644151325
Energy: 1.5841123499306593
Energy: 2.2763353698492907
Energy: 1.422234239256093
Energy: 2.2763353698474695
Energy: 1.5192764373830632
Energy: 1.456796275381166
Energy: 1.3453559705781728
Energy: 1.4567962753823802
Energy: 2.04053952983015
Energy: 1.6216345510675378
Energy: 1.3045645678018518
Energy: 1.6216345508175183
Energy: 1.3095841709839973
Energy: 1.6822227181364924
Energy: 1.325996936571451
Energy: 1.6822227181334568
Energy: 1.3272601610955648
Energy: 1.3572478008853766
Energy: 1.3038380333752464
Energy: 1.357247800884769
Energy: 1.3179974606623812
Energy: 2.2660839534923856
Energy: 1.3040146095955127
Energy: 2.2660839534972426
Energy: 1.3280610161339768
Energy: 1.7593921400662178
Energy: 1.32930019487489
Energy: 1.7593921400662178
Energy: 1.3399930519676577
Energy: 2.207303644527644
Energy: 1.3344516309887813
Energy: 2.20730364453068
Energy: 1.3384832641026463
Energy: 2.2071241020478367
Energy: 1.3299336699477307
Energy: 2.207124102048444
Energy: 1.3278980319805036
Energy: 1.7610775317090208
Energy: 1.3344317054779418
Energy: 1.7610775317084137
Energy: 1.317937568624666
Energy: 2.267376439282337
Energy: 1.3046528578247463
Energy: 2.267376439284765
Energy: 1.3269043616934826
Energy: 1.35734317454734
Energy: 1.306181559204118
Energy: 1.3573431745485542
Energy: 1.3093041736034066
Energy: 1.6810130832210783
Energy: 1.3780417024765088
Energy: 1.681013083224114
Energy: 2.0403984491041007
Energy: 1.6219890244060806
Energy: 1.3044528012752326
Energy: 1.6219890243332824
Energy: 1.518891278510539
Energy: 1.4567829410519326
Energy: 1.355057077424138
Energy: 1.456782941049504
Energy: 1.5841550319868032
Energy: 2.276192610631778
Energy: 1.4218582571439549
Energy: 2.276192610631778
Energy: 1.3092431823720434
Energy: 1.3620227178388955
Energy: 1.3185218035242314
Energy: 1.3620227178401096
Energy: 1.5215014611870772
Energy: 2.3566565126090198
Energy: 1.1893828559707458
Energy: 2.356656512609627
Energy: 1.309862319138568
Energy: 1.7370103058906705
Energy: 1.7899143496483427
Energy: 1.737010305893099
Energy: 1.0905634607813792
Energy: 1.697404545535316
Energy: 1.212822866374953
Energy: 1.6974045455298523
Energy: 1.3094359416879264
Energy: 1.8184819979099502
Energy: 1.977935619015473
Energy: 1.818481997906915
Energy: 1.3115958326892945
Energy: 1.2773521577617573
Energy: 1.213142241499584
Energy: 1.2773521569206863
Energy: 1.4237575080961828
Energy: 2.3198669777831773
Energy: 1.6275798838774709
Energy: 2.3198669777849985
Energy: 1.421079739703214
Energy: 1.4349299876472543
Energy: 1.189339297958219
Energy: 1.434929987644219

minimum gb energy = 1.0902939840064705 eV
minimum distance =  2.47381579142479 Angstroms
sigma value = 37


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

Energy: 1.1878405213803898
Energy: 1.1866660121612391
Energy: 1.7159689607597164
Energy: 1.1866660121612391
Energy: 1.9960970659599995
Energy: 1.6481978113968685
Energy: 1.092527980877173
Energy: 1.648197811397913
Energy: 1.122868003846603
Energy: 2.0829815698216647
Energy: 1.5224579152642232
Energy: 2.0829815698216647
Energy: 1.417891499055235
Energy: 1.172894771009963
Energy: 1.1953276609664312
Energy: 1.1728947710110076
Energy: 1.1040973449160703
Energy: 1.2993030783994142
Energy: 1.5587771456936195
Energy: 1.2993030783994142
Energy: 1.3271784761533278
Energy: 1.4380245101705098
Energy: 1.135304925405236
Energy: 1.4380245101705098
Energy: 1.3805545333913831
Energy: 1.8531097269452919
Energy: 2.0083001971220624
Energy: 1.8531097269452919
Energy: 1.0920506858337413
Energy: 1.0388017735577502
Energy: 1.040537657911283
Energy: 1.0388017735577502
Energy: 1.0955284203428939
Energy: 1.6482300034186366
Energy: 1.4348314300747695
Energy: 1.6482300034186366
Energy: 1.523120899081606
Energy: 2.0411586313163834
Energy: 1.1359740607206936
Energy: 2.0411586313163834
Energy: 1.283666499961203
Energy: 1.84421754221706
Energy: 1.4179527290411964
Energy: 1.8442175422160156
Energy: 1.4544199234972985
Energy: 1.3007489023713494
Energy: 1.1952692372040554
Energy: 1.3007489023734382
Energy: 1.140184603456392
Energy: 1.4370366837048338
Energy: 1.2912394680823878
Energy: 1.4370366837570119
Energy: 1.6703529575864158
Energy: 1.8544067249323584
Energy: 1.1811225671814038
Energy: 1.8544067249334029
Energy: 1.3737118431960504
Energy: 1.2161784320632112
Energy: 1.0930794306404068
Energy: 1.2161784320632112
Energy: 1.698929949779946
Energy: 1.299999851720354
Energy: 1.1811903966291404
Energy: 1.299999851720354
Energy: 1.1320538179847115
Energy: 2.033730045050211
Energy: 1.0989302794911857
Energy: 2.0337300450512554
Energy: 1.4176369657621355
Energy: 1.8444630245651676
Energy: 1.2814286167808964
Energy: 1.8444630245641231
Energy: 1.3874689527888011
Energy: 1.4475922369973564
Energy: 1.1023790838197283
Energy: 1.4475922369973564
Energy: 1.102352824703051
Energy: 1.4379091385874183
Energy: 1.3298773335307257
Energy: 1.4379091385874183

minimum gb energy = 1.0388017735577502 eV
minimum distance =  2.47617608327589 Angstroms
sigma value = 25


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

Energy: 1.3531859954816257
Energy: 1.5278069095058422
Energy: 1.4370195802379897
Energy: 1.5278069094675446
Energy: 1.8837839551984565
Energy: 1.327726553404904
Energy: 1.051688842982811
Energy: 1.3277265534065354
Energy: 1.0189523981265938
Energy: 1.019903861658265
Energy: 1.7751146754936706
Energy: 1.0199038616574494
Energy: 1.4303784935380832
Energy: 1.6809454426248773
Energy: 0.9845382002187488
Energy: 1.6809454426248773
Energy: 1.1329309712538145
Energy: 1.328635517718202
Energy: 1.4462657992591264
Energy: 1.3286355177190177
Energy: 1.2100898167574363
Energy: 1.3266928710281223
Energy: 1.1322090111306258
Energy: 1.3266928710264911
Energy: 1.0533717651874068
Energy: 1.1117083651207644
Energy: 1.5184999085933115
Energy: 1.111708365119133
Energy: 1.1312943384210203
Energy: 1.2524278975228347
Energy: 1.020890303909715
Energy: 1.252427897522019
Energy: 0.984472157666551
Energy: 1.3286438232609314
Energy: 2.055352713034338
Energy: 1.328643823261747
Energy: 0.9651845702264463
Energy: 1.3156320673249497
Energy: 1.097040766955761
Energy: 1.3156320673257653
Energy: 1.0536231530138753
Energy: 1.1128581940783622
Energy: 1.5976588591112637
Energy: 1.112858194079178
Energy: 1.318265301023073
Energy: 1.3947881791574201
Energy: 1.0199214692029188
Energy: 1.3947881791574201
Energy: 1.0511033825367442
Energy: 1.2456386741143592
Energy: 1.7225976395786178
Energy: 1.2456386741127279
Energy: 1.2873406011834312
Energy: 1.36495112435093
Energy: 1.132297791540226
Energy: 1.36495112435093
Energy: 1.1312698098271057
Energy: 1.2174884172018785
Energy: 1.2105049493764644
Energy: 1.217488417202694
Energy: 1.5186492329259953
Energy: 1.7184264929489423
Energy: 1.0561659870402587
Energy: 1.7184264929489423
Energy: 1.0966635578962665
Energy: 1.2529364646879446
Energy: 1.2550525508502322
Energy: 1.252936464687129
Energy: 1.446438934712121
Energy: 1.3292784670676028
Energy: 0.9859928855973213
Energy: 1.3292784670667872
Energy: 1.4318881007945274
Energy: 1.5098028937480161
Energy: 0.965022698418435
Energy: 1.5098028937496475
Energy: 1.7930589663984797
Energy: 1.6594686200305029
Energy: 1.1002732798088248
Energy: 1.6594686200296873
Energy: 1.023664345599793
Energy: 1.3950557223351545
Energy: 0.9722240583400042
Energy: 1.39505572233597
Energy: 1.2278324242612773
Energy: 1.2472997832147923
Energy: 1.0537183846195226
Energy: 1.2472997832147923
Energy: 1.1314295574497155
Energy: 1.3661341256707185
Energy: 1.2897690800559034
Energy: 1.3661341256707185
Energy: 1.2107341272675676
Energy: 1.7099725588857024
Energy: 1.1811066886890544
Energy: 1.7099725588840713
Energy: 1.059114328273803
Energy: 1.7190821760181585
Energy: 1.5197642598614372
Energy: 1.7190821760181585
Energy: 0.9679431799280382
Energy: 1.2541385370829827
Energy: 1.1692611975022398
Energy: 1.2541385370829827

minimum gb energy = 0.965022698418435 eV
minimum distance =  2.48773643442583 Angstroms
sigma value = 41


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

Energy: 1.164678964777057
Energy: 1.1649917958456386
Energy: 1.2325003068515203
Energy: 1.1649917958476448
Energy: 1.732994244845907
Energy: 1.155922645961474
Energy: 0.9347915865451415
Energy: 1.1559226459601362
Energy: 1.073020934834163
Energy: 1.1484522861463429
Energy: 1.049483772534156
Energy: 1.1484522861156443
Energy: 1.6880459250557938
Energy: 1.1593800302160453
Energy: 0.9347274046370925
Energy: 1.1593800302147075
Energy: 0.8183440903954169
Energy: 1.1840419390202106
Energy: 1.5263819269421504
Energy: 1.1840419390202106
Energy: 1.5791174405425215
Energy: 1.1553913539786764
Energy: 0.9347467803906766
Energy: 1.1553913539786764
Energy: 0.8224848241328797
Energy: 1.1552455248886417
Energy: 1.1985819402023776
Energy: 1.1552455248879732
Energy: 0.9252960011046945
Energy: 1.0071007088378738
Energy: 0.8195536769550967
Energy: 1.0071007088378738
Energy: 0.9359931308870352
Energy: 1.4517542699855674
Energy: 1.3321685198533497
Energy: 1.451754269986236
Energy: 1.048589937995551
Energy: 1.1516976143304198
Energy: 1.0739189593709169
Energy: 1.1516976143297513
Energy: 0.8964707138881874
Energy: 1.1563065992211916
Energy: 1.5538346468971933
Energy: 1.156306599222529
Energy: 0.8110182154681381
Energy: 1.1668108209952541
Energy: 1.165588782530208
Energy: 1.166810820993917
Energy: 0.9363021308563044
Energy: 1.4521879718994437
Energy: 1.8126764494293646
Energy: 1.452187971898775
Energy: 1.2302425342961516
Energy: 1.6747156195411954
Energy: 1.0740497653837788
Energy: 1.6747156195492197
Energy: 1.0091875401960493
Energy: 1.1578523975627406
Energy: 1.6849682829030752
Energy: 1.1578523975620718
Energy: 1.2010524860783836
Energy: 1.2065782980341777
Energy: 0.8196832535034213
Energy: 1.2065782980335091
Energy: 0.9358836499318185
Energy: 1.4533272115172473
Energy: 1.1053138718417144
Energy: 1.45332721151591
Energy: 1.19926557171709
Energy: 1.9719682219461585
Energy: 0.9347908571082666
Energy: 1.9719682219461585
Energy: 0.8963267268431094
Energy: 1.008479240777644
Energy: 0.9260449361995238
Energy: 1.008479240772963
Energy: 1.1947621072792842
Energy: 1.4878980981072072
Energy: 0.939330713990746
Energy: 1.4878980981085446
Energy: 1.1391698349023585
Energy: 1.6940570163537925
Energy: 1.0486641599816777
Energy: 1.6940570163571358
Energy: 1.5621728411412714
Energy: 1.7683114410726009
Energy: 0.8973793894872941
Energy: 1.7683114410732694
Energy: 1.1688394667559372
Energy: 1.1676592887599524
Energy: 0.8102459777982629
Energy: 1.1676592887626271
Energy: 1.4136294734829877
Energy: 1.4521571057453215
Energy: 0.939260084598758
Energy: 1.4521571057426466
Energy: 1.1391236402838787
Energy: 1.6769191284058416
Energy: 0.9353917235206575
Energy: 1.6769191284038356
Energy: 1.3989345684188734
Energy: 1.7505209409091649
Energy: 0.9379169405916312
Energy: 1.750520940911171
Energy: 0.896431751226707
Energy: 1.2071539322699367
Energy: 1.2009722784150223
Energy: 1.2071539322699367
Energy: 0.9354337253276606
Energy: 1.453948357234344
Energy: 0.9394875988297345
Energy: 1.4539483572350125
Energy: 0.9361770358657574
Energy: 1.8838647134509712
Energy: 1.1994779439197611
Energy: 1.8838647134509712
Energy: 0.9250033555076352
Energy: 1.4799087960084072
Energy: 0.9376854178584558
Energy: 1.4799087960077386
Energy: 0.9429367499697501
Energy: 1.4885689660464307
Energy: 1.2005033002689327
Energy: 1.4885689660470993
Energy: 0.9250338157654499
Energy: 1.64393866608249
Energy: 1.141223330450338
Energy: 1.6439386660831588

minimum gb energy = 0.8102459777982629 eV
minimum distance =  2.44254176910205 Angstroms
sigma value = 15


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

Energy: 1.0574994657814731
Energy: 1.5206739329350665
Energy: 1.7566467492155797
Energy: 1.5206739329328007
Energy: 1.6805256646919982
Energy: 1.3206948373627152
Energy: 0.9602510374485754
Energy: 1.3206948373627152
Energy: 0.982815338599773
Energy: 1.0380138319584453
Energy: 0.8470390342257283
Energy: 1.0380138319595782
Energy: 1.7382152955806562
Energy: 1.2836670458014108
Energy: 0.8645788073985262
Energy: 1.2836670457980122
Energy: 0.9588129786855569
Energy: 1.506751443616931
Energy: 0.8402248401688142
Energy: 1.5067514436152318
Energy: 1.5224623047759993
Energy: 1.2831040042958632
Energy: 1.0353514466686975
Energy: 1.2831040042952968
Energy: 0.8638227280963121
Energy: 1.0485955040903117
Energy: 1.3953168726214704
Energy: 1.0485955040925776
Energy: 1.0049227975391153
Energy: 1.0476256454007864
Energy: 0.9578572373110723
Energy: 1.0476256453985207
Energy: 1.0348331277734049
Energy: 1.5615285767317562
Energy: 1.3471068923585756
Energy: 1.5615285767317562
Energy: 0.842565761384261
Energy: 1.4749880663545372
Energy: 0.959262678575442
Energy: 1.4749880663545372
Energy: 0.7709048586750036
Energy: 1.3189435777054004
Energy: 1.4432360889877975
Energy: 1.3189435777071
Energy: 0.9451159019797273
Energy: 1.0398160142035997
Energy: 0.9833091236474557
Energy: 1.039816014206432
Energy: 0.8644784694977629
Energy: 1.5605973764490253
Energy: 1.5278381527235319
Energy: 1.5605973764490253
Energy: 0.7462750732188802
Energy: 1.5207612365593794
Energy: 1.058248545835808
Energy: 1.520761236558813
Energy: 0.8294564873936552
Energy: 1.2995997758278846
Energy: 1.6815905416978603
Energy: 1.2995997758454452
Energy: 1.1233847901281646
Energy: 1.038439621608655
Energy: 0.983610188398066
Energy: 1.038439621602424
Energy: 0.8652974903559044
Energy: 1.5277484305241515
Energy: 1.7350728633688957
Energy: 1.5277484305235849
Energy: 1.1028377392828592
Energy: 1.5132343891085835
Energy: 0.8651578988826536
Energy: 1.5132343891091502
Energy: 0.9986608210783754
Energy: 1.3036801900475279
Energy: 1.2344820417641538
Energy: 1.3036801900486608
Energy: 1.1129442118018795
Energy: 1.0737391610338451
Energy: 0.8636477954976216
Energy: 1.0737391610355445
Energy: 0.9597517343820006
Energy: 1.3023922108017292
Energy: 1.0014748931841928
Energy: 1.3023922108034287
Energy: 1.1447396791991917
Energy: 1.5611677074165837
Energy: 0.9413230483153355
Energy: 1.5611677074227635
Energy: 0.9230712468189008
Energy: 1.4735903965464794
Energy: 0.842531221057858
Energy: 1.4735903965640398
Energy: 1.4408045648537326
Energy: 1.3194807845942804
Energy: 0.830633912631875
Energy: 1.3194807845948469
Energy: 1.0743444073502406
Energy: 1.419150970564696
Energy: 0.9446206844519814
Energy: 1.4191509705652625
Energy: 1.400576296402562
Energy: 1.5609255660894343
Energy: 0.8668236964234669
Energy: 1.560925566088868
Energy: 1.0608140142318963
Energy: 1.5546486362610652
Energy: 0.7459649065685923
Energy: 1.5546486362621983
Energy: 1.5536959571724405
Energy: 1.286658260852603
Energy: 0.9215491329097547
Energy: 1.2866582608492043
Energy: 1.0741340388834062
Energy: 1.4848281310484903
Energy: 0.8714422578508413
Energy: 1.4848281310518892
Energy: 1.2600866858329425
Energy: 1.52867155434401
Energy: 0.8669580349945022
Energy: 1.5286715543428773
Energy: 0.8296300695666764
Energy: 1.516302914465834
Energy: 1.0986307791607517
Energy: 1.5163029144647011
Energy: 1.2604131345137144
Energy: 1.3034319852173808
Energy: 0.9242635575022321
Energy: 1.3034319852185139
Energy: 0.8646632648599661
Energy: 1.5231751518037902
Energy: 1.1072113180533136
Energy: 1.5231751518066226
Energy: 0.9094583306523716
Energy: 1.3010702466452544
Energy: 0.9631631613145769
Energy: 1.3010702466469535
Energy: 0.8589835849538385
Energy: 1.546503546115916
Energy: 1.1448380376663176
Energy: 1.5465035461136503
Energy: 0.8429395181967858
Energy: 1.4913046562127956
Energy: 0.9250740855337898
Energy: 1.4913046562127956
Energy: 0.9221358825560324
Energy: 1.6782383401427652
Energy: 1.4423749168352278
Energy: 1.6782383401433318

minimum gb energy = 0.7459649065685923 eV
minimum distance =  2.46752380068123 Angstroms
sigma value = 85


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

Energy: 1.167580231731239
Energy: 1.3573918155344586
Energy: 1.1274142101848366
Energy: 1.35739181553495
Energy: 1.6206065702474806
Energy: 1.095732603767087
Energy: 0.862201676390912
Energy: 1.095732603767087
Energy: 0.9533964219308693
Energy: 0.9536513561641252
Energy: 0.9345161017763811
Energy: 0.9536513561631427
Energy: 1.6417371471251465
Energy: 1.1589591385743896
Energy: 0.9392784717249507
Energy: 1.1589591385768463
Energy: 0.8941778178858988
Energy: 0.9247417327988148
Energy: 0.7523242149520802
Energy: 0.924741732799306
Energy: 1.5542576255590441
Energy: 1.158809317350547
Energy: 0.9242656387946427
Energy: 1.1588093173500555
Energy: 0.7018333198268312
Energy: 0.9733591196788629
Energy: 0.8546194766578034
Energy: 0.9733591196783716
Energy: 1.0915337489419914
Energy: 1.159225587864748
Energy: 0.7816691568263228
Energy: 1.159225587864748
Energy: 0.7044784141675199
Energy: 0.9384778420595337
Energy: 1.3732704642990758
Energy: 0.9384778420595337
Energy: 0.8900949269028718
Energy: 0.9732166611592049
Energy: 0.7828721217776788
Energy: 0.9732166611592049
Energy: 0.8433773369086157
Energy: 1.1591409661459597
Energy: 1.2775652412001393
Energy: 1.159140966146451
Energy: 0.7521675735931734
Energy: 1.2517384618997753
Energy: 0.894877131961024
Energy: 1.2517384618987928
Energy: 0.8600132345829679
Energy: 0.9379823432386853
Energy: 1.383871332700062
Energy: 0.9379823432386853
Energy: 0.8433665106493246
Energy: 0.9536287379642447
Energy: 0.9539359344326501
Energy: 0.953628737964736
Energy: 0.7826425320873062
Energy: 1.0963231436869192
Energy: 1.4849870933432379
Energy: 1.096323143687902
Energy: 0.6677399474912136
Energy: 1.3573943628069878
Energy: 1.1683001225410719
Energy: 1.3573943628064966
Energy: 0.7511932192563985
Energy: 0.937818536191682
Energy: 1.62280313231339
Energy: 0.937818536191682
Energy: 0.9892039078446834
Energy: 0.9534721631280433
Energy: 0.9539138381843719
Energy: 0.953472163127552
Energy: 0.9399591697227521
Energy: 1.1591416955809872
Energy: 1.6430551076284785
Energy: 1.1591416955809872
Energy: 0.9640858148877655
Energy: 1.3098600529501783
Energy: 0.8950396954065131
Energy: 1.3098600529511608
Energy: 0.8911887792379746
Energy: 0.9384155556336857
Energy: 1.218216419274119
Energy: 0.938415555634177
Energy: 0.9651634640993062
Energy: 0.9824214010757373
Energy: 0.7829302950727077
Energy: 0.9824214010742633
Energy: 0.7825165743542103
Energy: 1.1586664570525433
Energy: 1.0914226710198216
Energy: 1.1586664570525433
Energy: 1.0204064641570754
Energy: 1.3719305160603787
Energy: 0.781707662277636
Energy: 1.37193051606087
Energy: 0.751240590669696
Energy: 0.8469367216640198
Energy: 0.8901411788337531
Energy: 0.8469367216645111
Energy: 1.2777763502850774
Energy: 1.1598400304050613
Energy: 0.844922851706381
Energy: 1.1598400304040788
Energy: 0.896816693818652
Energy: 1.252310983216152
Energy: 0.7522682894132682
Energy: 1.2523109832166435
Energy: 1.3392228746187311
Energy: 1.371138831423394
Energy: 0.8288385463706092
Energy: 1.371138831423394
Energy: 0.9549680784761214
Energy: 0.9535844442314414
Energy: 0.8434062363311735
Energy: 0.9535844442319328
Energy: 1.484285023586016
Energy: 1.1589506447653195
Energy: 0.7847317774733157
Energy: 1.1589506447648283
Energy: 1.1700676721279493
Energy: 1.358357948902443
Energy: 0.6686888395730753
Energy: 1.358357948902443
Energy: 1.4280045521135103
Energy: 1.3707257320713238
Energy: 0.7517523852142195
Energy: 1.3707257320708324
Energy: 0.9556473687788555
Energy: 0.95424384709751
Energy: 0.7640513836479617
Energy: 0.9542438470970187
Energy: 1.3603133153622835
Energy: 1.1589125927334032
Energy: 0.7844148011251914
Energy: 1.1589125927343857
Energy: 0.896760889973978
Energy: 1.2469754038768095
Energy: 0.9641833807098401
Energy: 1.2469754038571574
Energy: 1.1007325931944643
Energy: 1.3713650755975384
Energy: 0.8929833554544239
Energy: 1.3713650755980298
Energy: 0.7514672501102042
Energy: 0.9825891849876431
Energy: 0.9660871742551286
Energy: 0.9825891849881344
Energy: 1.0916089760826844
Energy: 1.1592078450470846
Energy: 0.7846085951254391
Energy: 1.159207845047576
Energy: 0.7824886623328091
Energy: 1.2766239145034899
Energy: 1.0202712234468763
Energy: 1.2766239145015248
Energy: 0.8089219785618103
Energy: 1.1331156171721093
Energy: 0.8316959342103543
Energy: 1.1331156171716181
Energy: 0.8459919912307997
Energy: 1.0964159077632605
Energy: 1.278053046106157
Energy: 1.0964159077480302
Energy: 0.7523573161354323
Energy: 1.3161833755024834
Energy: 0.9711726165568995
Energy: 1.3161833755019923
Energy: 0.8298509650471756
Energy: 1.4951059028116185
Energy: 1.3387911928862926
Energy: 1.495105902811127

minimum gb energy = 0.6677399474912136 eV
minimum distance =  2.45211886824882 Angstroms
sigma value = 113


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

Energy: 0.021496698980102945
Energy: 0.02218093837587575
Energy: 1.4924511133769984
Energy: 0.022180938376253432
Energy: 1.3838492877033108
Energy: 0.35496603010026084
Energy: 0.35639294691141893
Energy: 0.35496603009988315
Energy: 0.021496698980102945
Energy: 0.02218093837587575
Energy: 1.4930912868383364
Energy: 0.02218093837587575
Energy: 1.3838492877129207
Energy: 0.35496603010026084
Energy: 0.35639294691141893
Energy: 0.35496603009912775
Energy: 0.021496698980102945
Energy: 0.02218093837587575
Energy: 1.4920522499430349
Energy: 0.022180938376253432
Energy: 1.3838492876989044
Energy: 0.35496603009950545
Energy: 0.35639294691141893
Energy: 0.35496603009950545

minimum gb energy = 0.021496698980102945 eV
minimum distance =  2.75739251095355 Angstroms
sigma value = 1