Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.039798453450203
cohesive_energy=2.8885682080333717
mass=26.981538
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: 0.008954920909995064
Energy: 0.009288946097860852
Energy: 0.9412625343390446
Energy: 0.009288946097860852
Energy: 0.009288946097860852
Energy: 0.922101789735664
Energy: 0.00928894609737256
Energy: 0.9221017897346735
Energy: 0.9412625343390446
Energy: 0.00928894609737256
Energy: 0.008954920909995064
Energy: 0.009288946097860852
Energy: 0.009288946097860852
Energy: 0.9221017897346735
Energy: 0.009288946097860852
Energy: 0.9221017897346735

minimum gb energy = 0.008954920909995064 eV
minimum distance =  2.72725894168148 Angstroms
sigma value = 1


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

Energy: 0.9003729712636807
Energy: 0.953422754298384
Energy: 0.8072768640651149
Energy: 0.9534227542977749
Energy: 0.8644052651874912
Energy: 0.9476392512803965
Energy: 0.8637302513548263
Energy: 0.9476392512810057
Energy: 0.7901941902836693
Energy: 0.9440302024216358
Energy: 0.7831897207025391
Energy: 0.9440302024222449
Energy: 0.8530579166599914
Energy: 0.9599163569507306
Energy: 0.8607025196434791
Energy: 0.9599163569507306
Energy: 0.8552654145052847
Energy: 0.9536701167932397
Energy: 0.854688487890783
Energy: 0.9536701167938489
Energy: 0.8242998179706561
Energy: 0.9485355382147571
Energy: 0.8479304424319168
Energy: 0.9485355382153662
Energy: 0.8652729112435488
Energy: 0.9442901204056365
Energy: 0.8252299350139349
Energy: 0.9442901204062456
Energy: 0.7731624237123635
Energy: 0.953523083346837
Energy: 0.843614037253159
Energy: 0.953523083347446
Energy: 0.8607380029866887
Energy: 0.8648694446897724
Energy: 0.8527031173040468
Energy: 0.8648694446909907
Energy: 0.8517882685833589
Energy: 0.9437618552879429
Energy: 0.7666551882487905
Energy: 0.9437618552873337
Energy: 0.8569672292621442
Energy: 0.9224659148075901
Energy: 0.8607496562991916
Energy: 0.922465914806981
Energy: 0.8479318297068188
Energy: 0.9534617628382552
Energy: 0.8612841889131263
Energy: 0.953461762837646
Energy: 0.86277612601101
Energy: 0.9439542075374112
Energy: 0.866397666873471
Energy: 0.9439542075380204
Energy: 0.8634607466799356
Energy: 0.9486740618732815
Energy: 0.8575438677200593
Energy: 0.9486740618757178
Energy: 0.8118762709292558
Energy: 0.9536751408064088
Energy: 0.8619834999647775
Energy: 0.9536751408064088
Energy: 0.8153446390153747
Energy: 0.95356096771008
Energy: 0.8616970021160082
Energy: 0.9535609677112983
Energy: 0.7831231220083782
Energy: 0.9440674004649001
Energy: 0.8132329967992543
Energy: 0.9440674004661183
Energy: 0.8640299169330222
Energy: 0.9440846222136171
Energy: 0.8640455842924463
Energy: 0.9440846222148354
Energy: 0.8059594511637869
Energy: 0.9533708006171986
Energy: 0.8803025392583282
Energy: 0.9533708006178078
Energy: 0.8636781116283124
Energy: 0.8646200703558201
Energy: 0.8619380989453963
Energy: 0.8646200703570384
Energy: 0.8499163338424888
Energy: 0.943955710903829
Energy: 0.7660510525116923
Energy: 0.94395571090322
Energy: 0.8610494549028352
Energy: 0.9297066519027225
Energy: 0.853305555643785
Energy: 0.9297066519033316
Energy: 0.8160109009016252
Energy: 0.9536134846409509
Energy: 0.8143983457764908
Energy: 0.9536134846409509
Energy: 0.8479095663497532
Energy: 0.9444863360609382
Energy: 0.8243727661338391
Energy: 0.9444863360615474
Energy: 0.8252848183502861
Energy: 0.9477512049337589
Energy: 0.8654199883859964
Energy: 0.9477512049349771
Energy: 0.7723992998684
Energy: 0.9535566984879268
Energy: 0.7734378293935797
Energy: 0.9535566984879268
Energy: 0.8569884396240066
Energy: 0.9478694841584405
Energy: 0.860382511857983
Energy: 0.9478694841590496
Energy: 0.7660207724493484
Energy: 0.9438169785674296
Energy: 0.7830475738449523
Energy: 0.9438169785662114
Energy: 0.8633762927579358
Energy: 0.9496038695208847
Energy: 0.8594579571714414
Energy: 0.9496038695196665
Energy: 0.874778910719475
Energy: 0.9534308819387015
Energy: 0.8484487300274742
Energy: 0.9534308819393107
Energy: 0.8626223080937667
Energy: 0.9477081653255163
Energy: 0.8626104097744032
Energy: 0.9477081653255163
Energy: 0.848631250201431
Energy: 0.9442476718754735
Energy: 0.8630174376785127
Energy: 0.9442476718748644
Energy: 0.85505203076653
Energy: 0.9601634271468079
Energy: 0.8626624325890915
Energy: 0.9601634271468079

minimum gb energy = 0.7660207724493484 eV
minimum distance =  2.51539473644027 Angstroms
sigma value = 1


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

Energy: 0.9659971908499302
Energy: 1.026264490672391
Energy: 0.9112220850738987
Energy: 1.026264490669613
Energy: 0.9161575519565703
Energy: 0.9903838256935764
Energy: 0.9174057699753639
Energy: 0.9903838256942709
Energy: 0.8185469084052158
Energy: 1.026260611721625
Energy: 0.8273794849821084
Energy: 1.0262606117244033
Energy: 0.9137742103063489
Energy: 0.9824244705952682
Energy: 0.8809982934951314
Energy: 0.9824244705945737
Energy: 0.914238805833253
Energy: 1.0129580248152037
Energy: 0.9160648696477504
Energy: 1.012958024814509
Energy: 0.9250674372017375
Energy: 1.0132451227129216
Energy: 0.8665737740233573
Energy: 1.0132451227129216
Energy: 0.9140068141361128
Energy: 0.98046152681455
Energy: 0.9011099063814144
Energy: 0.9804615268138555
Energy: 0.8182958314904666
Energy: 1.0264951146073555
Energy: 0.9091004789959964
Energy: 1.0264951146052719
Energy: 0.9144673904259464
Energy: 0.8892758693086988
Energy: 0.9176041561114467
Energy: 0.8892758693093934
Energy: 0.9447058052843752
Energy: 1.026446077317031
Energy: 0.8155746588941664
Energy: 1.0264460773177257
Energy: 0.9142389786769635
Energy: 1.0121588878038377
Energy: 0.9248624297939467
Energy: 1.0121588878031433
Energy: 0.8670312332993902
Energy: 1.0198847697684137
Energy: 0.8775727349254299
Energy: 1.0198847697691082
Energy: 0.9300818679043891
Energy: 1.0126872350260883
Energy: 0.870984528780066
Energy: 1.0126872350267828
Energy: 0.9303796318801146
Energy: 1.0127721456574799
Energy: 0.8723038025045718
Energy: 1.0127721456581742
Energy: 0.8669096154443757
Energy: 1.0198701345736942
Energy: 0.8271506505977538
Energy: 1.0198701345750834
Energy: 0.914189253480647
Energy: 1.0120589927152295
Energy: 0.9178662682808376
Energy: 1.0120589927145351
Energy: 0.9447037789789627
Energy: 1.0264435641041747
Energy: 0.8439712774617429
Energy: 1.0264435641013967
Energy: 0.9144344310904812
Energy: 0.9346684021556164
Energy: 0.9176192930768355
Energy: 0.9346684021549221
Energy: 0.8182931775692727
Energy: 1.026415741450119
Energy: 0.8911397314786607
Energy: 1.0264157414522022
Energy: 0.9141206365923659
Energy: 0.9804108811704725
Energy: 0.8829978772866198
Energy: 0.9804108811711669
Energy: 0.9249106121606953
Energy: 1.0134320646733623
Energy: 0.8693739516611971
Energy: 1.0134320646705843
Energy: 0.9141576700168298
Energy: 1.0129605764860306
Energy: 0.9150618278441798
Energy: 1.0129605764908918
Energy: 0.9138406707560978
Energy: 0.9821770740137845
Energy: 0.8754822587693841
Energy: 0.9821770740151735
Energy: 0.8185852700592786
Energy: 1.0265883626453836
Energy: 0.8271854090511745
Energy: 1.0265883626488561
Energy: 0.9161965673438535
Energy: 0.9903605578472457
Energy: 0.9175476349862566
Energy: 0.9903605578472457
Energy: 0.9659971908492357
Energy: 1.026264490672391
Energy: 0.9112220789831055
Energy: 1.0262644906703073
Energy: 0.9161575519565703
Energy: 0.9903838256935764
Energy: 0.9174057699753639
Energy: 0.9903838256942709
Energy: 0.8185469083934094
Energy: 1.0262606117223196
Energy: 0.8775114191576218
Energy: 1.0262606117244033
Energy: 0.9137742103070435
Energy: 0.9824244705959626
Energy: 0.8830296596740521
Energy: 0.9824244705959626

minimum gb energy = 0.8155746588941664 eV
minimum distance =  2.50076319477357 Angstroms
sigma value = 25


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

Energy: 1.0243220512742335
Energy: 1.0942003378917269
Energy: 0.9345084347203275
Energy: 1.0942003378925342
Energy: 0.9434390570680482
Energy: 1.0574286468220024
Energy: 0.9903379859735365
Energy: 1.0574286468203875
Energy: 0.8791828574038839
Energy: 1.1155872897370147
Energy: 0.9903435260024314
Energy: 1.1155872897378223
Energy: 0.9820416513921139
Energy: 1.0839340844465528
Energy: 0.9442619354457372
Energy: 1.0839340844546264
Energy: 0.943382601995719
Energy: 1.0941386347780997
Energy: 0.9396133834180056
Energy: 1.0941386347780997
Energy: 1.0087998353878855
Energy: 1.115423907320962
Energy: 0.9904254974666387
Energy: 1.115423907320962
Energy: 0.9923347796640284
Energy: 0.9970576882611382
Energy: 0.9665964249735635
Energy: 0.9970576882603309
Energy: 0.9982472953891166
Energy: 1.0942632237767285
Energy: 0.8936706670934772
Energy: 1.0942632237775358
Energy: 0.9664238064949691
Energy: 1.0549972573393833
Energy: 0.9922423273013108
Energy: 1.0549972573401905
Energy: 0.9901820703516537
Energy: 1.1155687534055874
Energy: 0.9353352142315482
Energy: 1.1155687534047802
Energy: 0.9325010167589541
Energy: 1.0940488467227203
Energy: 0.9897878538178931
Energy: 1.094048846721913
Energy: 0.9449176291876747
Energy: 1.0942099933643388
Energy: 0.9896028878824473
Energy: 1.0942099933643388
Energy: 0.9901884969293022
Energy: 1.0730331616130522
Energy: 0.9363007093001837
Energy: 1.0730331616122448
Energy: 0.9663218708119719
Energy: 0.9915845444707245
Energy: 0.9926044472114834
Energy: 0.9915845444699172
Energy: 0.9334366008334687
Energy: 1.0943052911474496
Energy: 0.8922016420815779
Energy: 1.0943052911474496
Energy: 0.9901237634854381
Energy: 0.9964755621939586
Energy: 0.9434249679171953
Energy: 0.9964755621939586
Energy: 0.879010139966521
Energy: 1.1157030413462525
Energy: 0.8788552375540343
Energy: 1.1157030413454452
Energy: 0.9446043878399032
Energy: 1.0944357508095244
Energy: 0.9819173772032014
Energy: 1.0944357508087172
Energy: 0.9398758545504683
Energy: 1.0698167340434128
Energy: 0.9436226439632712
Energy: 1.0698167340426055
Energy: 0.943020009778963
Energy: 1.115193308478156
Energy: 0.9927601135566111
Energy: 1.1151933084773487
Energy: 0.9999411429264159
Energy: 1.0725679197763975
Energy: 0.9918967859879474
Energy: 1.072567919777205
Energy: 1.0086941601684776
Energy: 1.0941970183853829
Energy: 0.9899652698223178
Energy: 1.0941970183853829
Energy: 0.9919871012719357
Energy: 1.0600120373629875
Energy: 0.9900351288420085
Energy: 1.060012037363795
Energy: 0.8794768755005802
Energy: 1.115614933711121
Energy: 0.9900564354158543
Energy: 1.115614933711121
Energy: 0.9898452129608665
Energy: 1.0721503208885315
Energy: 0.9448143460890605
Energy: 1.072150320887724

minimum gb energy = 0.8788552375540343 eV
minimum distance =  2.51117159432936 Angstroms
sigma value = 9


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

Energy: 1.1409361159139528
Energy: 1.1128866965799193
Energy: 1.0434088802746972
Energy: 1.1128866965808824
Energy: 1.035551734676544
Energy: 1.1519355863637601
Energy: 1.0663251422809026
Energy: 1.1519355863647234
Energy: 0.9461538326100294
Energy: 1.1126887950388402
Energy: 1.0656438178677274
Energy: 1.112688795036914
Energy: 1.0782247005190686
Energy: 1.1959557703058394
Energy: 0.9711951426928374
Energy: 1.1959557703058394
Energy: 1.104330056680845
Energy: 1.1520308884650121
Energy: 1.0658394756664487
Energy: 1.1520308884630859
Energy: 0.9451623870790231
Energy: 1.0869616397438446
Energy: 0.9648236205405396
Energy: 1.0869616397419184
Energy: 1.0810787729038354
Energy: 0.9715213295566298
Energy: 0.9731007168508267
Energy: 0.9715213295566298
Energy: 1.0204049736180234
Energy: 1.0877269196161183
Energy: 0.9652992194404074
Energy: 1.0877269196161183
Energy: 1.0808911152537477
Energy: 1.1520221806054047
Energy: 1.0656295729296628
Energy: 1.1520221806034785
Energy: 1.07783238059136
Energy: 1.0803955522396398
Energy: 0.9711939224089048
Energy: 1.080395552240603
Energy: 1.0119768994878038
Energy: 1.174764975915854
Energy: 1.0526752096766194
Energy: 1.1747649759177803
Energy: 1.0783210577753968
Energy: 1.0795176114558291
Energy: 0.9714001072742513
Energy: 1.0795176114567921
Energy: 0.9457357716878118
Energy: 1.1125304534327132
Energy: 0.9784162900238087
Energy: 1.1125304534346394
Energy: 1.0090204903812439
Energy: 1.0870752552523935
Energy: 1.0663579435702317
Energy: 1.0870752552523935
Energy: 0.9457400060387324
Energy: 1.1126054927663378
Energy: 1.0202073827366833
Energy: 1.1126054927653748
Energy: 1.0782156492700667
Energy: 1.079811552033701
Energy: 0.9711375083562508
Energy: 1.079811552033701
Energy: 1.0118130775792866
Energy: 1.1747320555448602
Energy: 1.0657109020380569
Energy: 1.1747320555458234
Energy: 1.0777731399921733
Energy: 1.0803940959217546
Energy: 0.9712759188550322
Energy: 1.0803940959227176
Energy: 1.0809605141908678
Energy: 1.1520107286823333
Energy: 1.0656113291827307
Energy: 1.1520107286832963
Energy: 1.0201700140711203
Energy: 1.0877092177466265
Energy: 0.9652945071233824
Energy: 1.0877092177475898
Energy: 1.0809304079672881
Energy: 0.971503113738511
Energy: 0.9731038303350961
Energy: 0.9715031137375477

minimum gb energy = 0.9451623870790231 eV
minimum distance =  2.58681649664958 Angstroms
sigma value = 25


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

Energy: 1.0397315920934618
Energy: 1.2688938849253473
Energy: 1.09807060462453
Energy: 1.2688938849265383
Energy: 1.02865564260507
Energy: 1.170715814418635
Energy: 1.018919550848394
Energy: 1.170715814418635
Energy: 1.020204280282812
Energy: 1.287782691141363
Energy: 1.01877863590782
Energy: 1.287782691142554
Energy: 1.0370538098771334
Energy: 1.2725077331107073
Energy: 1.107379783848026
Energy: 1.2725077331107073
Energy: 1.107898732377615
Energy: 1.0280852467473756
Energy: 1.0682603699247173
Energy: 1.0280852467473756
Energy: 1.020034143099269
Energy: 1.2885035349058918
Energy: 1.0200149321814795
Energy: 1.2885035349058918
Energy: 1.0518491145379707
Energy: 1.030622093229087
Energy: 1.0188262480047476
Energy: 1.030622093229087
Energy: 1.1072577900104872
Energy: 1.2693435800358408
Energy: 1.0366132665836547
Energy: 1.269343580037032
Energy: 1.0188570968032262
Energy: 1.1710670425495275
Energy: 1.0280509905092479
Energy: 1.1710670425495275
Energy: 1.1402548359227032
Energy: 1.0482612475686106
Energy: 1.019698078294462
Energy: 1.0482612475674196
Energy: 1.0680715458666303
Energy: 1.2702827043989162
Energy: 1.191415866960613
Energy: 1.2702827043989162
Energy: 1.0189172757321456
Energy: 1.0481821132496039
Energy: 1.1408400785430812
Energy: 1.0481821132496039
Energy: 1.1156163875935934
Energy: 1.2897298326275266
Energy: 1.019709209787773
Energy: 1.2897298326275266
Energy: 1.0187793671586183
Energy: 1.0304714609151762
Energy: 1.037042749202029
Energy: 1.0304714609151762
Energy: 1.0499992210903755
Energy: 1.2698572363317098
Energy: 1.1083266277383907
Energy: 1.269857236330519
Energy: 1.0282300407112794
Energy: 1.0788218172330464
Energy: 1.0200014269585929
Energy: 1.0788218172342374
Energy: 1.0189654066669396
Energy: 1.097701430600778
Energy: 1.140790778306086
Energy: 1.0977014305995867

minimum gb energy = 1.01877863590782 eV
minimum distance =  2.57048081751444 Angstroms
sigma value = 17


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

Energy: 1.1893453066081863
Energy: 1.1189750877157925
Energy: 1.2322519600506634
Energy: 1.1189750877178164
Energy: 1.1406068148135673
Energy: 1.1087808887719717
Energy: 1.0486428975906945
Energy: 1.108780888771297
Energy: 1.1330046120024682
Energy: 1.114629324955758
Energy: 1.0484825581058157
Energy: 1.114629324955758
Energy: 1.0509371949111566
Energy: 1.0584828931442452
Energy: 1.1075155711093976
Energy: 1.0584828931428962
Energy: 1.1579164187040025
Energy: 1.113979694605403
Energy: 1.0762131986172823
Energy: 1.1139796946060776
Energy: 1.0594122383473865
Energy: 1.0787132254010772
Energy: 1.1251529083665572
Energy: 1.0787132254024263
Energy: 1.0527476830644782
Energy: 1.1069323155101671
Energy: 1.048709169797319
Energy: 1.1069323155081434
Energy: 1.126322650597331
Energy: 1.121609978783857
Energy: 1.0551303931365652
Energy: 1.1216099787852059
Energy: 1.0609519516837063
Energy: 1.1464459793064288
Energy: 1.1585395561135077
Energy: 1.1464459793071031
Energy: 1.2121406662245637
Energy: 1.0909373548694208
Energy: 1.04876827791904
Energy: 1.0909373548694208
Energy: 1.0532844272225894
Energy: 1.057787702666166
Energy: 1.1364719021517375
Energy: 1.0577877026668403
Energy: 1.0554469111073106
Energy: 1.107162938417
Energy: 1.0554896450886289
Energy: 1.1071629384176744
Energy: 1.135819566974312
Energy: 1.0575102606259057
Energy: 1.0545541288651419
Energy: 1.057510260625231
Energy: 1.0487944904097277
Energy: 1.152638527873694
Energy: 1.1395449111463665
Energy: 1.1526385278723446
Energy: 1.1186285807228062
Energy: 1.1069356405533484
Energy: 1.0559648595750444
Energy: 1.1069356405533484
Energy: 1.1316472810742706
Energy: 1.0589429129970225
Energy: 1.1266012812346475
Energy: 1.058942912996348
Energy: 1.048787749218047
Energy: 1.135996282672253
Energy: 1.2147178819432691
Energy: 1.135996282672253
Energy: 1.153586230630261
Energy: 1.0523198622439411
Energy: 1.059316211435524
Energy: 1.0523198622439411
Energy: 1.0485183912946776
Energy: 1.1080799152498213
Energy: 1.1227696989465714
Energy: 1.1080799152498213
Energy: 1.048532866896334
Energy: 1.0589068236494
Energy: 1.0512745378490076
Energy: 1.0589068236494
Energy: 1.08798923122451
Energy: 1.051738492089195
Energy: 1.132829688931338
Energy: 1.0517384920932118
Energy: 1.0487609532206095
Energy: 1.1621791436845343
Energy: 1.2156073370169813
Energy: 1.1621791436845343
Energy: 1.1688941366883214
Energy: 1.0582677381653274
Energy: 1.0497471877897242
Energy: 1.058267738166002
Energy: 1.055038026024563
Energy: 1.107092412015234
Energy: 1.133894503104537
Energy: 1.1070924120132104
Energy: 1.0546735807382865
Energy: 1.1151595289552467
Energy: 1.1333539719645878
Energy: 1.1151595289552467
Energy: 1.1476480395506812
Energy: 1.0589856121490542
Energy: 1.050756995918428
Energy: 1.0589856121504033
Energy: 1.06917022002572
Energy: 1.1621445842161005
Energy: 1.2363347527538164
Energy: 1.1621445842167748
Energy: 1.1251028603865252
Energy: 1.0563877116893512
Energy: 1.133991511981383
Energy: 1.0563877116893512
Energy: 1.200959055355281
Energy: 1.1558304832273156
Energy: 1.052955451188784
Energy: 1.1558304832273156
Energy: 1.055055140595707
Energy: 1.1450582091736776
Energy: 1.1538232601022533
Energy: 1.1450582091736776

minimum gb energy = 1.0484825581058157 eV
minimum distance =  2.56194328293253 Angstroms
sigma value = 53


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

Energy: 1.0330262206504757
Energy: 1.031460125847045
Energy: 1.200756570240559
Energy: 1.0314601258495333
Energy: 1.1722812673082552
Energy: 1.1002495348228243
Energy: 1.0870657885954744
Energy: 1.1002495348232832
Energy: 1.0336752531698017
Energy: 1.030993850143829
Energy: 1.0868431720112868
Energy: 1.030993850142594
Energy: 1.033689408852723
Energy: 1.0309916477002372
Energy: 1.1421379208511042
Energy: 1.0309916476996197
Energy: 1.17229719223276
Energy: 1.1002939946935044
Energy: 1.096915367979115
Energy: 1.1002939946935044
Energy: 1.0330262206504757
Energy: 1.0314601258475213
Energy: 1.232074543049087
Energy: 1.0314601258493747
Energy: 1.1722812673108847
Energy: 1.1002495348225068
Energy: 1.1425488936783665
Energy: 1.1002495348237418
Energy: 1.033675253169643
Energy: 1.030993850143988
Energy: 1.1780506998256244
Energy: 1.030993850142594
Energy: 1.0336894088524229
Energy: 1.0309916477007137
Energy: 1.1421379046156424
Energy: 1.0309916477002372
Energy: 1.1722971922307484
Energy: 1.100293994693981
Energy: 1.097041951065093
Energy: 1.100293994693981
Energy: 1.0330262206507934
Energy: 1.0314601258472038
Energy: 1.273287398270623
Energy: 1.0314601258493747
Energy: 1.1722812673074787
Energy: 1.1002495348228243
Energy: 1.1425456458647432
Energy: 1.1002495348232832
Energy: 1.0336752531698017
Energy: 1.0309938501433702
Energy: 1.1780506998260831
Energy: 1.0309938501422762

minimum gb energy = 1.0309916476996197 eV
minimum distance =  2.55230279945397 Angstroms
sigma value = 9


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

Energy: 1.1097254492841784
Energy: 1.1940803044511923
Energy: 1.2959828665247097
Energy: 1.1940803044511923
Energy: 1.1919583604360193
Energy: 1.131257009182065
Energy: 1.0778617755524311
Energy: 1.1312570091826397
Energy: 1.0759922096208159
Energy: 1.0986921836718486
Energy: 1.0852375195885078
Energy: 1.0986921836729722
Energy: 1.154688961488043
Energy: 1.2282242959280965
Energy: 1.0778881810666927
Energy: 1.228224295928671
Energy: 1.2029513612663394
Energy: 1.1487431567664554
Energy: 1.0884256851482028
Energy: 1.1487431567670303
Energy: 1.1000713190140101
Energy: 1.0987454252375497
Energy: 1.1498893708786857
Energy: 1.0987454252386992
Energy: 1.3118511481527477
Energy: 1.1454621560430236
Energy: 1.0845423417240432
Energy: 1.1454621560430236
Energy: 1.0810455085838353
Energy: 1.2129678169432643
Energy: 1.1667702764905776
Energy: 1.2129678169426892
Energy: 1.078000516733869
Energy: 1.236351787771433
Energy: 1.0991047999748358
Energy: 1.2363517877708583
Energy: 1.0765908798076196
Energy: 1.137203008303646
Energy: 1.0851394144969906
Energy: 1.137203008305344
Energy: 1.0825299704668903
Energy: 1.1635690407986434
Energy: 1.2837115601754905
Energy: 1.1635690407992183
Energy: 1.177911891212746
Energy: 1.2541143375459252
Energy: 1.0799732775230193
Energy: 1.2541143375442008
Energy: 1.0781042710728617
Energy: 1.1418641986601386
Energy: 1.233592487044905
Energy: 1.1418641986601386
Energy: 1.158702282704343
Energy: 1.1632103129541558
Energy: 1.1105197801692552
Energy: 1.1632103129627773
Energy: 1.083001889054281
Energy: 1.1743558720404177
Energy: 1.1660686342344917
Energy: 1.1743558720375438
Energy: 1.0798551881218938
Energy: 1.236624317875872
Energy: 1.153829124166385
Energy: 1.236624317875872
Energy: 1.1336303970853197
Energy: 1.1745321401693465
Energy: 1.082979292074335
Energy: 1.1745321401699214
Energy: 1.0846199782193555
Energy: 1.14606869523074
Energy: 1.2018122600651773
Energy: 1.146068695230165
Energy: 1.2105129546866593
Energy: 1.141804417648304
Energy: 1.1001504491188514
Energy: 1.141804417648304
Energy: 1.0800491910731997
Energy: 1.1450280645233855
Energy: 1.145298782430262
Energy: 1.1450280645210862
Energy: 1.1530471996066813
Energy: 1.2248775372022438
Energy: 1.1562194919404238
Energy: 1.224877537203393
Energy: 1.1467127400273864
Energy: 1.1841082788195922
Energy: 1.076553510827683
Energy: 1.1841082788190174
Energy: 1.098745702360049
Energy: 1.18519217122779
Energy: 1.0778369043815257
Energy: 1.1851921712289393
Energy: 1.3178280479046018
Energy: 1.1632642235073243
Energy: 1.0809861395225335
Energy: 1.1632642235056003
Energy: 1.0847235471265537
Energy: 1.2599297274929178
Energy: 1.2541690943499217
Energy: 1.2599297274934926
Energy: 1.113146915517989
Energy: 1.0985990352791462
Energy: 1.0764710514134719
Energy: 1.0985990352785713
Energy: 1.1606082432685976
Energy: 1.2244573353883175
Energy: 1.15415031142346
Energy: 1.2244573353894668
Energy: 1.0852170453653143
Energy: 1.2283228116914684
Energy: 1.1547581813357144
Energy: 1.2283228116926177
Energy: 1.122663886906842
Energy: 1.0986921203811073
Energy: 1.0759756218900007
Energy: 1.098692120382257
Energy: 1.0777467624160337
Energy: 1.2585817784519377
Energy: 1.2544861679124009
Energy: 1.258581778450788
Energy: 1.2915522018633405
Energy: 1.3288393336896942
Energy: 1.080573617766148
Energy: 1.3288393336885447
Energy: 1.0774449218560933
Energy: 1.1416230622653334
Energy: 1.0765291882465975
Energy: 1.1416230622664831
Energy: 1.0855437915093575
Energy: 1.1831321834772348
Energy: 1.0759998943418494
Energy: 1.1831321834778095
Energy: 1.1528736244256856
Energy: 1.2270889974712884
Energy: 1.1545362400305432
Energy: 1.2270889974718633
Energy: 1.089425714538117
Energy: 1.2059489912018384
Energy: 1.3119899572248819
Energy: 1.2059489912018384

minimum gb energy = 1.0759756218900007 eV
minimum distance =  2.55571741063891 Angstroms
sigma value = 73


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

Energy: 1.1330723271582037
Energy: 1.1329817557428623
Energy: 1.2927233951689743
Energy: 1.1329817557437742
Energy: 1.1431607277203888
Energy: 1.1749031636301173
Energy: 1.0770791297279483
Energy: 1.1749031636310292
Energy: 1.0807937341329528
Energy: 1.2776756451899047
Energy: 1.0880271240935793
Energy: 1.2776756451880809
Energy: 1.0709805455969983
Energy: 1.2207765325185398
Energy: 1.0979424363729067
Energy: 1.2207765325185398
Energy: 1.1145820984844845
Energy: 1.1697423995512395
Energy: 1.0849606088150379
Energy: 1.1697423995503275
Energy: 1.0951873327127317
Energy: 1.27889676503735
Energy: 1.2060799976594818
Energy: 1.2788967650391736
Energy: 1.3129504837257324
Energy: 1.2059457161538374
Energy: 1.0780594520315967
Energy: 1.2059457161520133
Energy: 1.0816452681865576
Energy: 1.1053004374572306
Energy: 1.2799838522845484
Energy: 1.1053004374563187
Energy: 1.2613775470851767
Energy: 1.0785606412527142
Energy: 1.0790342747537724
Energy: 1.0785606412527142
Energy: 1.0791872182240108
Energy: 1.1567394860398332
Energy: 1.0791104456303042
Energy: 1.1567394860380096
Energy: 1.0827103040137644
Energy: 1.0787484568287034
Energy: 1.2158861425891756
Energy: 1.078748456829615
Energy: 1.1957512599808822
Energy: 1.2182690899472144
Energy: 1.070640541073957
Energy: 1.2182690899472144
Energy: 1.0961377995068327
Energy: 1.1550907782288753
Energy: 1.3046447372538612
Energy: 1.1550907782288753
Energy: 1.2513627141047508
Energy: 1.2053525605696231
Energy: 1.0952591492301267
Energy: 1.2053525605687112
Energy: 1.081777339412063
Energy: 1.2229328119841834
Energy: 1.2342950992548873
Energy: 1.2229328119850953
Energy: 1.2157143863125626
Energy: 1.1034074669650578
Energy: 1.0820203678361842
Energy: 1.1034074669641456
Energy: 1.1324821925699482
Energy: 1.132767160685855
Energy: 1.0809818878046424
Energy: 1.1327671606867669
Energy: 1.1321554319968004
Energy: 1.2223661794856964
Energy: 1.0809319901228016
Energy: 1.2223661794866085
Energy: 1.067679116857577
Energy: 1.106592678678506
Energy: 1.0809605637186501
Energy: 1.1065926786793971
Energy: 1.0771621684455164
Energy: 1.1599195151875312
Energy: 1.3209269428305435
Energy: 1.1599195151884434
Energy: 1.22893542242148
Energy: 1.2773186704696238
Energy: 1.0963250321492293
Energy: 1.2773186704705357
Energy: 1.0982131930580183
Energy: 1.17952062934335
Energy: 1.1433530721258363
Energy: 1.1795206293451739

minimum gb energy = 1.067679116857577 eV
minimum distance =  2.51967637769361 Angstroms
sigma value = 7


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

Energy: 1.1287725057765303
Energy: 1.1256386557195708
Energy: 1.2941318481108033
Energy: 1.1256386557240845
Energy: 1.2985092754230936
Energy: 1.156794126617836
Energy: 1.0994453383636325
Energy: 1.156794126617836
Energy: 1.0904365132874716
Energy: 1.1202937856115582
Energy: 1.0957942716088283
Energy: 1.1202937856076893
Energy: 1.0883760119326176
Energy: 1.1651067473823233
Energy: 1.099580800010486
Energy: 1.1651067473803889
Energy: 1.0906696147294352
Energy: 1.1632816629472102
Energy: 1.095626060742601
Energy: 1.1632816629452758
Energy: 1.0893256614619642
Energy: 1.0976377072372099
Energy: 1.2318461604525481
Energy: 1.0976377072346304
Energy: 1.1987130107509927
Energy: 1.2041429317319665
Energy: 1.0961217664216933
Energy: 1.204142931730032
Energy: 1.0891488325265855
Energy: 1.0979756488404981
Energy: 1.2508414831274917
Energy: 1.09797564883405
Energy: 1.2280556159221763
Energy: 1.1528542323336815
Energy: 1.100400543442663
Energy: 1.1528542323278783
Energy: 1.089181417826405
Energy: 1.170284934132113
Energy: 1.1818310564576568
Energy: 1.1702849341359818
Energy: 1.091969733802187
Energy: 1.2399742144528698
Energy: 1.0921996334865935
Energy: 1.2399742144548043
Energy: 1.1021217187790389
Energy: 1.1638355650930785
Energy: 1.0901668453773636
Energy: 1.163835565090499
Energy: 1.097438276338909
Energy: 1.1017781548793433
Energy: 1.092364903768107
Energy: 1.1017781548812777
Energy: 1.0967415789982402
Energy: 1.1174852432675144
Energy: 1.089666455556307
Energy: 1.117485243268804
Energy: 1.0878596705362877
Energy: 1.2287646086468826
Energy: 1.1959064185709736
Energy: 1.2287646086455932
Energy: 1.3530009800729226
Energy: 1.117429155221655
Energy: 1.1009071369841492
Energy: 1.117429155220366
Energy: 1.087951727849317
Energy: 1.1540047761303636
Energy: 1.1215400740853774
Energy: 1.1540047761277847
Energy: 1.0938399199361293
Energy: 1.105735013330862
Energy: 1.0898380727009496
Energy: 1.1057350133263484
Energy: 1.0882282771481329
Energy: 1.2402714554329972
Energy: 1.0923337251878886
Energy: 1.2402714554362215
Energy: 1.0892377679081735
Energy: 1.1613554024128974
Energy: 1.0902143088491818
Energy: 1.1613554024148316
Energy: 1.0920219722639042
Energy: 1.2400298756231314
Energy: 1.100545192796256
Energy: 1.2400298756199073
Energy: 1.0891112382176835
Energy: 1.1190651262512514
Energy: 1.1860419850319561
Energy: 1.119065126253186
Energy: 1.2628484552193784
Energy: 1.152413972728449
Energy: 1.095018114057039
Energy: 1.1524139727297387
Energy: 1.0962200215623457
Energy: 1.0976026487757353
Energy: 1.2321157210788178
Energy: 1.0976026487712214
Energy: 1.107499956752437
Energy: 1.15572246674216
Energy: 1.0924798252237047
Energy: 1.1557224667434498
Energy: 1.0884661398580078
Energy: 1.237807451752148
Energy: 1.087461603064633
Energy: 1.2378074517540825
Energy: 1.0906783075155022
Energy: 1.1733306835700383
Energy: 1.1737548687587995
Energy: 1.173330683567459
Energy: 1.0883402516649856
Energy: 1.1600867600505547
Energy: 1.0992949598835156
Energy: 1.1600867600492648
Energy: 1.08999798293206
Energy: 1.1256200648746746
Energy: 1.177132742959103
Energy: 1.1256200648785435
Energy: 1.1318955024005615
Energy: 1.1128827715759895
Energy: 1.0993457276527332
Energy: 1.1128827715766343
Energy: 1.0899073472467726
Energy: 1.125530189136015
Energy: 1.2652780756923443
Energy: 1.125530189131501

minimum gb energy = 1.087461603064633 eV
minimum distance =  2.50614567460084 Angstroms
sigma value = 29


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

Energy: 1.0784636696431935
Energy: 1.0612302066977153
Energy: 1.0784099453067593
Energy: 1.0612302066972907
Energy: 1.052925378971969
Energy: 1.0793752256668894
Energy: 1.0796275875441395
Energy: 1.0793752256655667
Energy: 1.0565852057394598
Energy: 1.146031411813099
Energy: 1.0518202982778588
Energy: 1.1460314118137478
Energy: 1.0796138680537763
Energy: 1.1194167777356885
Energy: 1.0803031393650147
Energy: 1.1194167776797106
Energy: 1.0784043625272939
Energy: 1.1229110362804602
Energy: 1.051132019949825
Energy: 1.1229110362806847
Energy: 1.0481845652480526
Energy: 1.145582368257103
Energy: 1.0482044563714095
Energy: 1.1455823682575519
Energy: 1.0440054539984922
Energy: 1.122929848113343
Energy: 1.0783208743946262
Energy: 1.122929848113343
Energy: 1.0805704466577195
Energy: 1.1195633440666293
Energy: 1.0797138067147338
Energy: 1.1195633440668538
Energy: 1.0519176616836088
Energy: 1.1459960630416854
Energy: 1.0534983446166108
Energy: 1.1459960630425587

minimum gb energy = 1.0440054539984922 eV
minimum distance =  2.54014058801149 Angstroms
sigma value = 5


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

Energy: 1.0139046930820674
Energy: 1.0323288580656773
Energy: 1.178052037588493
Energy: 1.0323288580650685
Energy: 1.181210683278164
Energy: 1.0728051648527401
Energy: 0.9765533598700886
Energy: 1.0728051648539585
Energy: 0.9750180805629739
Energy: 1.0199378089600128
Energy: 1.1907134001494595
Energy: 1.019937808960622
Energy: 0.9714362196956723
Energy: 1.0636497550793957
Energy: 0.9917239697895667
Energy: 1.0636497550782051
Energy: 0.9908642959989594
Energy: 1.0713332059240332
Energy: 1.1837648958519809
Energy: 1.071333205923424
Energy: 1.0151855546869593
Energy: 1.0341489656574956
Energy: 0.9766919999040864
Energy: 1.0341489656587142
Energy: 0.975421939464218
Energy: 1.0717681530516927
Energy: 0.9761147144371476
Energy: 1.0717681530529108
Energy: 0.9757833364139855
Energy: 1.0350698076205453
Energy: 0.976821283014123
Energy: 1.0350698076217635
Energy: 0.9912745449863689
Energy: 1.0717898647500008
Energy: 0.9831001639621972
Energy: 1.0717898647506099
Energy: 0.9907934593327332
Energy: 1.0723552084992491
Energy: 0.9690534166592235
Energy: 1.07235520849864
Energy: 0.9854380932154855
Energy: 1.0636790668702945
Energy: 0.9757473167136648
Energy: 1.0636790668702945
Energy: 0.9754343643559795
Energy: 1.084208642943054
Energy: 1.039310163834233
Energy: 1.084208642943054
Energy: 1.015638382956021
Energy: 1.0328906536143523
Energy: 1.0249415747171706
Energy: 1.0328906536143523
Energy: 0.9907808947985879
Energy: 1.0321668114974436
Energy: 1.0142847435046118
Energy: 1.032166811495007
Energy: 1.0712461830471331
Energy: 0.9886460376861338
Energy: 0.9755146551223611
Energy: 0.9886460376830883
Energy: 0.9920224096355263
Energy: 1.0198808342453025
Energy: 0.9918426898995751
Energy: 1.0198808342453025
Energy: 1.1826150046732729
Energy: 1.0101683570419118
Energy: 0.980933144963042
Energy: 1.0101683570425208
Energy: 0.9908466788390454
Energy: 1.0327533034499248
Energy: 1.0506550348408323
Energy: 1.0327533034505338
Energy: 0.98529843390198
Energy: 1.072757647271431
Energy: 0.9757656977875061
Energy: 1.072757647271431
Energy: 0.9753215056217506
Energy: 1.0801967475125738
Energy: 1.0081627086186107
Energy: 1.0801967475113556
Energy: 0.9702422606942417
Energy: 1.0627515372552434
Energy: 0.9912425639844219
Energy: 1.0627515372558523
Energy: 0.9912419317808664
Energy: 1.071542603722487
Energy: 0.9912790740023562
Energy: 1.071542603722487
Energy: 0.9775167958317156
Energy: 1.0339056751409994
Energy: 0.9702513065944508
Energy: 1.0339056751409994
Energy: 1.040355940446113
Energy: 1.0325925402510532
Energy: 0.9754569264458597
Energy: 1.0325925402510532
Energy: 1.0381491430636067
Energy: 1.0209735223725418
Energy: 0.9779134654498397
Energy: 1.0209735223713239
Energy: 1.0153054860490025
Energy: 1.0323960474908895
Energy: 0.9907350822860337
Energy: 1.032396047488453
Energy: 0.9770497865902541
Energy: 1.054843409773026
Energy: 1.0078005886326211
Energy: 1.054843409773635
Energy: 1.0151696850281287
Energy: 1.0643083738289
Energy: 0.9921094691274184
Energy: 1.064308373828291
Energy: 0.9758216600171743
Energy: 0.9975344986722909
Energy: 1.189275896810415
Energy: 0.9975344986722909
Energy: 1.1381032067400345
Energy: 1.0326564782813272
Energy: 0.9906300525729628
Energy: 1.032656478280718
Energy: 0.9769694257113859
Energy: 1.004067676601036
Energy: 1.1383470555112931
Energy: 1.0040676765985994
Energy: 1.1807371723709452
Energy: 1.0308798351761337
Energy: 0.9753935461195439
Energy: 1.0308798351779611
Energy: 0.9921088423565444
Energy: 1.0640425951433805
Energy: 0.9717847899818984
Energy: 1.0640425951445986

minimum gb energy = 0.9690534166592235 eV
minimum distance =  2.53752064203378 Angstroms
sigma value = 1


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

Energy: 1.1724851312971503
Energy: 0.9829205135982192
Energy: 0.9620569123935214
Energy: 0.9829205135999034
Energy: 1.0014199969223463
Energy: 1.0328672406257795
Energy: 0.938100376234371
Energy: 1.0328672406266217
Energy: 0.9326167057389726
Energy: 0.9852191703130602
Energy: 1.157245942358516
Energy: 0.985219170312218
Energy: 0.9408407305827684
Energy: 1.0325653306232774
Energy: 0.9580419750573682
Energy: 1.0325653306232774
Energy: 0.9132505460442905
Energy: 1.0692864047757364
Energy: 1.223500226168151
Energy: 1.0692864047740518
Energy: 0.9140181137525851
Energy: 0.9902524999238647
Energy: 0.9581007089520159
Energy: 0.990252499924707
Energy: 0.9327284638174543
Energy: 1.0690403279903267
Energy: 1.0947604600162792
Energy: 1.069040327992011
Energy: 0.9324743287399438
Energy: 0.9906299612589327
Energy: 0.9497296734187057
Energy: 0.9906299612589327
Energy: 0.996046104027547
Energy: 0.9872692585720885
Energy: 0.9600589235519774
Energy: 0.9872692585720885
Energy: 0.9963783864916523
Energy: 1.1582935549475502
Energy: 0.9605731021738314
Energy: 1.1582935549458655
Energy: 0.9326428462752969
Energy: 0.9902662839908092
Energy: 0.9495462445083687
Energy: 0.990266283989967
Energy: 0.9326207891257177
Energy: 1.069233206092281
Energy: 1.0948846061831288
Energy: 1.069233206093123
Energy: 0.9141490033078732
Energy: 1.0286821645535378
Energy: 0.9583576995108314
Energy: 1.0286821645535378
Energy: 0.9131471681026673
Energy: 0.9823390780861039
Energy: 0.966248532940442
Energy: 0.9823390780869462
Energy: 0.9716917284583927
Energy: 1.032810170270666
Energy: 0.9581827897110962
Energy: 1.0328101702689816
Energy: 0.932646514188803
Energy: 0.9856247347962457
Energy: 0.9487739043690196
Energy: 0.9856247347954035
Energy: 1.106629314121773
Energy: 0.9920494663235154
Energy: 0.9383043464859807
Energy: 0.9920494663209889
Energy: 1.1724851312996576
Energy: 0.9829205135990614
Energy: 0.9620569133632957
Energy: 0.9829205135990614
Energy: 1.001419996921504
Energy: 1.032867240627464
Energy: 0.938100376234371
Energy: 1.0328672406266217
Energy: 0.9326167057406569
Energy: 0.985219170312218
Energy: 1.1580230660932012
Energy: 0.985219170312218
Energy: 0.9408407305844528
Energy: 1.0325653306249618
Energy: 0.9580419750548416
Energy: 1.0325653306241194
Energy: 0.9132505460451327
Energy: 1.0692864047757364
Energy: 1.2235002261673087
Energy: 1.0692864047732096
Energy: 0.9140181137525851
Energy: 0.9902524999230224
Energy: 0.958100708952858
Energy: 0.9902524999238647
Energy: 0.9327284638157699
Energy: 1.0690403279903267
Energy: 0.9712512303559406
Energy: 1.069040327992011

minimum gb energy = 0.9131471681026673 eV
minimum distance =  2.52921928958946 Angstroms
sigma value = 17


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

Energy: 0.9606771646061826
Energy: 0.9575738627215946
Energy: 1.1097215515707584
Energy: 0.9575738627262795
Energy: 1.106572203349747
Energy: 0.9424523220135607
Energy: 0.9122005060865225
Energy: 0.9424523220140811
Energy: 0.9126691575185438
Energy: 0.9444998152332376
Energy: 1.227567320534723
Energy: 0.9444998152321964
Energy: 0.939343256458172
Energy: 0.9107896522067354
Energy: 0.9119865266583862
Energy: 0.9107896522067354
Energy: 0.9018453082097927
Energy: 1.0129987709833344
Energy: 1.0960361137709291
Energy: 1.0129987709833344
Energy: 0.8969230092149815
Energy: 1.1213482331102906
Energy: 0.9274917099889799
Energy: 1.1213482331097702
Energy: 0.9128876763372741
Energy: 0.9967915923955581
Energy: 0.9488821463973102
Energy: 0.9967915923992019
Energy: 0.9021351825109574
Energy: 1.1322803787820963
Energy: 0.9015990745679685
Energy: 1.1322803787831375
Energy: 0.9517937733423524
Energy: 1.129066330437481
Energy: 0.9318342252501379
Energy: 1.1290663304380015
Energy: 0.9523795132318992
Energy: 0.9787239186102051
Energy: 0.9127306512519314
Energy: 0.9787239186112225
Energy: 0.9131369014289691
Energy: 0.956393502314924
Energy: 0.9018060530561065
Energy: 0.9563935023128418
Energy: 0.9130737237958699
Energy: 0.9879197531506778
Energy: 0.9021894058557254
Energy: 0.9879197531532806
Energy: 0.8967256965983705
Energy: 1.1216006266387808
Energy: 0.9123468225736706
Energy: 1.1216006266377399
Energy: 0.9019417460869228
Energy: 1.0122641616663266
Energy: 0.9659877920995145
Energy: 1.0122641616658064
Energy: 0.9024969978317969
Energy: 1.1149146576615812
Energy: 0.963900935242072
Energy: 1.1149146576605402
Energy: 0.9129310540571706
Energy: 0.9451211381751214
Energy: 1.091562232187359
Energy: 0.945121138175642
Energy: 0.9255442181596405
Energy: 1.1141865167175808
Energy: 0.9120089434066532
Energy: 1.1141865167191423
Energy: 0.9117032214950727
Energy: 0.9579356213306365
Energy: 0.9176060483421077
Energy: 0.9579356213259516
Energy: 1.0963571390557252
Energy: 0.9891376591355185
Energy: 0.9124315343675131
Energy: 0.9891376591334363
Energy: 0.9270957710554568
Energy: 0.9449209985502683
Energy: 0.9364224498835501
Energy: 0.9449209985502683
Energy: 1.0913091734949354
Energy: 0.934561355830567
Energy: 0.9119455119167524
Energy: 0.9345613558321285
Energy: 0.9119138707410755
Energy: 0.9850055042407718
Energy: 0.9140520812301193
Energy: 0.9850055042402512
Energy: 0.9214708894107572
Energy: 0.924495398878873
Energy: 0.9273276035509204
Energy: 0.9244953988757496
Energy: 0.9127813197068704
Energy: 0.9972936700418722
Energy: 1.106332012874276
Energy: 0.9972936700429132
Energy: 0.9318357153544694
Energy: 0.9583367736170161
Energy: 0.9117785978865144
Energy: 0.9583367736175366
Energy: 0.9118955854923118
Energy: 1.0136599392422914
Energy: 0.9254450167137306
Energy: 1.0136599392428123
Energy: 1.0847370453236909
Energy: 0.9700757335209322
Energy: 0.9125925496143001
Energy: 0.9700757335214527
Energy: 0.965787904726286
Energy: 1.1142310990098774
Energy: 0.9022906765856276
Energy: 1.114231099011439
Energy: 0.9682046632942244
Energy: 1.0122343940589649
Energy: 0.9018849440784784
Energy: 1.0122343940594856
Energy: 0.912322555315939
Energy: 0.9712777702502172
Energy: 0.9362426037391705
Energy: 0.9712777702502172
Energy: 0.9020480118243922
Energy: 1.0120929060737165
Energy: 0.9131418043849121
Energy: 1.0120929060747574
Energy: 0.9019108334551813
Energy: 1.110475278209933
Energy: 0.912782760714909
Energy: 1.110475278209933
Energy: 0.9126822501381049
Energy: 0.9787576923787269
Energy: 1.110195123065996
Energy: 0.9787576923776857
Energy: 0.9371129610312754
Energy: 1.1288036947342501
Energy: 0.9282880579592401
Energy: 1.1288036947316475
Energy: 0.9015135862435852
Energy: 0.9589442506107042
Energy: 0.9293379567748457
Energy: 0.9589442506138275
Energy: 0.9478976883928667
Energy: 0.9973867435661667
Energy: 0.9126804681745246
Energy: 0.9973867435672079
Energy: 0.9273185687390653
Energy: 1.1215349529343244
Energy: 0.8969127380862454
Energy: 1.1215349529327627
Energy: 1.0923120752713433
Energy: 1.0140276909882904
Energy: 0.9119772424191569
Energy: 1.0140276909898518

minimum gb energy = 0.8967256965983705 eV
minimum distance =  2.52379269233726 Angstroms
sigma value = 89


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

Energy: 0.8504952958062529
Energy: 0.848704476968296
Energy: 1.0359003009982939
Energy: 0.848704476968296
Energy: 0.8482750627520117
Energy: 0.8803587704065107
Energy: 0.8517245152260149
Energy: 0.8803587704066345
Energy: 0.8567986452769767
Energy: 0.9968444278985086
Energy: 0.8338978716828199
Energy: 0.9968444278978275
Energy: 0.8354104208899407
Energy: 0.8804490165342354
Energy: 0.8511156300039331
Energy: 0.8804490165344984
Energy: 0.8499496630930734
Energy: 0.9264509473449256
Energy: 0.8477869636673586
Energy: 0.926450947344384
Energy: 0.8483344085251503
Energy: 0.8497443958528262
Energy: 0.8526265528324464
Energy: 0.8497443958525477
Energy: 0.8570816121626659
Energy: 0.9967772680906324
Energy: 0.8508289986736264
Energy: 0.9967772680904933
Energy: 0.8270282232431334
Energy: 0.9967071784664314
Energy: 0.8511607806427633
Energy: 0.9967071784743405
Energy: 0.8511632281767975
Energy: 0.9265281036152971
Energy: 0.8338461896189787
Energy: 0.9265281036156995
Energy: 0.8802117269335132
Energy: 0.921877800284027
Energy: 0.8527648094142782
Energy: 0.9218778002796778
Energy: 0.8574595617044809
Energy: 0.8817348485820509
Energy: 0.8504638708208226
Energy: 0.8817348485820509
Energy: 0.8512442280593208
Energy: 0.9962008533590206
Energy: 0.8493974363378493
Energy: 0.9962008533584634
Energy: 0.8503055051908016
Energy: 0.8527010399888513
Energy: 0.825844363331295
Energy: 0.8527010399891299
Energy: 0.8508505685579056
Energy: 0.9250520304723671
Energy: 0.848113000279543
Energy: 0.9250520304718254
Energy: 0.8335674382746491
Energy: 0.8527115819801869
Energy: 0.8503680645230597
Energy: 0.8527115819799083

minimum gb energy = 0.825844363331295 eV
minimum distance =  2.55525873855733 Angstroms
sigma value = 13


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

Energy: 0.8145460534171065
Energy: 0.7797137106194061
Energy: 0.9817470150217784
Energy: 0.7797137106119847
Energy: 0.9881538710531412
Energy: 0.8008965131860859
Energy: 0.763874277550507
Energy: 0.8008965131820899
Energy: 0.7808477687165569
Energy: 0.7798182745883216
Energy: 1.1814279350163635
Energy: 0.7798182745860381
Energy: 0.7807437843603073
Energy: 0.8008869891331318
Energy: 0.7636929821377577
Energy: 0.800886989132561
Energy: 0.7810591935741649
Energy: 0.8378240000576994
Energy: 0.7823071385367827
Energy: 0.8378240000542742
Energy: 0.7656124478844049
Energy: 0.8012718295274609
Energy: 0.7935561643529272
Energy: 0.8012718295257484
Energy: 0.7811135871950212
Energy: 0.838895155117879
Energy: 0.7987164215792693
Energy: 0.8388951551144539
Energy: 0.7555671517643341
Energy: 0.8009310756374737
Energy: 0.7934857527145407
Energy: 0.8009310755838377
Energy: 0.7810666493201042
Energy: 0.8390589373584216
Energy: 0.9700150443953846
Energy: 0.8390589373624177
Energy: 0.9984092071135938
Energy: 0.8580567732369991
Energy: 0.7637705469326369
Energy: 0.8580567732381409
Energy: 0.781069319261285
Energy: 0.8563938771039608
Energy: 0.767816086862826
Energy: 0.8563938771016774
Energy: 0.7982895041208784
Energy: 0.8583028074508289
Energy: 0.7640515683396328
Energy: 0.8583028074513998
Energy: 0.8196097352471496
Energy: 0.7956195627092116
Energy: 0.767855832453149
Energy: 0.7956195627154912
Energy: 1.1587416956075316
Energy: 0.8580672339549626
Energy: 0.7644456915447222
Energy: 0.8580672339589589
Energy: 0.781295276589215
Energy: 0.7796856066566485
Energy: 0.7662235369537683
Energy: 0.7796856066595028
Energy: 0.7771077562128653
Energy: 0.8578578472072271
Energy: 0.7645402125405574
Energy: 0.8578578472077981
Energy: 0.7764829197002291
Energy: 0.779600319681953
Energy: 0.7650326264607608
Energy: 0.7796003196779568
Energy: 0.7769561547064455
Energy: 0.8388284540415922
Energy: 0.7985489801465899
Energy: 0.8388284540444466
Energy: 0.776720420902653
Energy: 0.7976465858865096
Energy: 0.7987399110952572
Energy: 0.7976465858853679
Energy: 0.7767221002976207
Energy: 0.7975847938412277
Energy: 0.7987145700583083
Energy: 0.7975847938423695
Energy: 0.7769827383302391
Energy: 0.8388060012178326
Energy: 0.798634974064328
Energy: 0.8388060012178326
Energy: 0.7765263884561094
Energy: 0.7794896221158856
Energy: 0.7650300275028182
Energy: 0.7794896221136021
Energy: 0.7772577961531228
Energy: 0.8578577542888205
Energy: 0.7644650753724631
Energy: 0.8578577542853953
Energy: 0.7814107549522717
Energy: 0.7797561260929146
Energy: 0.7671418634786126
Energy: 0.7797561260900603
Energy: 1.15880436681485
Energy: 0.8580614021717793
Energy: 0.7642954673442449
Energy: 0.8580614021717793
Energy: 0.8199146740554458
Energy: 0.7958156517126111
Energy: 0.7677484680883444
Energy: 0.7958156517080441
Energy: 0.9728652174726663
Energy: 0.8581782935592416
Energy: 0.7640505363162571
Energy: 0.8581782935620961
Energy: 0.7811563861751178
Energy: 0.8564466011513426
Energy: 0.7678372856868116
Energy: 0.8564466011490591
Energy: 0.9980472980690624
Energy: 0.8581712942974709
Energy: 0.7638382444684908
Energy: 0.8581712943014669
Energy: 0.7811400227666068
Energy: 0.838935644556188
Energy: 1.1462274284182246
Energy: 0.8389356445584714
Energy: 0.7556109823204762
Energy: 0.8008639002771447
Energy: 0.7935265978024042
Energy: 0.8008639002765738
Energy: 0.781208086519327
Energy: 0.8390320412712198
Energy: 0.9726282033924741
Energy: 0.8390320412683654
Energy: 0.7660031070911816
Energy: 0.8012873775605511
Energy: 0.7933715261424235
Energy: 0.8012873775628346
Energy: 0.7811935902068061
Energy: 0.8377727580955491
Energy: 0.780536842258485
Energy: 0.8377727580955491
Energy: 0.7810245071083118
Energy: 0.8008495302562465
Energy: 0.7636863419093087
Energy: 0.8008495302562465

minimum gb energy = 0.7555671517643341 eV
minimum distance =  2.56581725224724 Angstroms
sigma value = 37


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

Energy: 0.9561100096982099
Energy: 0.76438929146416
Energy: 0.6798751237257875
Energy: 0.76438929146416
Energy: 0.8996890871657282
Energy: 0.7441457370570875
Energy: 0.6971499518169242
Energy: 0.7441457370570875
Energy: 0.7337331153579093
Energy: 0.8272375395193139
Energy: 0.6929451222744325
Energy: 0.8272375395193139
Energy: 0.8730217551493828
Energy: 0.7445207270180847
Energy: 0.7104522754771331
Energy: 0.7445207270171026
Energy: 0.7110787692111349
Energy: 0.7437960824440182
Energy: 0.7105046730495307
Energy: 0.7437960824440182
Energy: 0.7007932661925935
Energy: 0.7441199596883168
Energy: 0.8756258820229803
Energy: 0.744119959689299
Energy: 0.7189230771015142
Energy: 0.781958204894827
Energy: 0.8948181287964445
Energy: 0.781958204894827
Energy: 0.699741173017828
Energy: 0.7450060594111406
Energy: 0.7477710862290816
Energy: 0.7450060594121228
Energy: 0.7012139240418382
Energy: 0.7437679957849982
Energy: 0.7180245512661728
Energy: 0.7437679957849982
Energy: 1.0944802732853305
Energy: 0.8266369781093177
Energy: 0.8757091882919347
Energy: 0.8266369781093177
Energy: 0.7095208212717913
Energy: 0.8008731068017744
Energy: 0.8705421677055388
Energy: 0.8008731068017744
Energy: 1.1221177366064239
Energy: 0.7444466849970971
Energy: 0.7096788074503699
Energy: 0.7444466849980793
Energy: 0.8755842841505702
Energy: 0.74368673014031
Energy: 0.6934978758123936
Energy: 0.743686730141292
Energy: 0.8934558664606191
Energy: 0.7785081182502418
Energy: 0.6978166620914414
Energy: 0.7785081182502418
Energy: 0.9244478153871676
Energy: 0.7793659921204721
Energy: 0.6953578162969226
Energy: 0.7793659921204721
Energy: 0.920077500981019
Energy: 0.7443354810805742
Energy: 0.697448138946625
Energy: 0.744335481079592
Energy: 0.8753555859613421
Energy: 0.8261584391067601
Energy: 0.6841220247035159
Energy: 0.8261584391067601
Energy: 0.8726229950228354
Energy: 0.8004270337304216
Energy: 0.7096990532604573
Energy: 0.8004270337314038
Energy: 0.7098674937131514
Energy: 0.7462563781766485
Energy: 0.7086610704483577
Energy: 0.7462563781766485
Energy: 0.7103318716257471
Energy: 0.7444436398238997
Energy: 0.8739451486611679
Energy: 0.7444436398258417

minimum gb energy = 0.6798751237257875 eV
minimum distance =  2.5719284272699 Angstroms
sigma value = 25


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

Energy: 0.8232913828609038
Energy: 0.6320273610615205
Energy: 0.8285843047246608
Energy: 0.6320273610584528
Energy: 0.9072940990467955
Energy: 0.6393136602951628
Energy: 0.6242930123475204
Energy: 0.6393136602943956
Energy: 0.7843629665369636
Energy: 0.6317885779214535
Energy: 0.5973693831444108
Energy: 0.6317885779214535
Energy: 0.7526311407551022
Energy: 0.651484376989734
Energy: 0.6232514113481219
Energy: 0.651484376989734
Energy: 0.6337138437953888
Energy: 0.6395062218160739
Energy: 0.6056156794627734
Energy: 0.6395062218160739
Energy: 0.7372810111602042
Energy: 0.6314006007189513
Energy: 0.6350733776662568
Energy: 0.631400600722786
Energy: 0.6212478863112827
Energy: 0.6202958231881512
Energy: 0.7508070864586824
Energy: 0.6202958231889181
Energy: 0.5950136587726084
Energy: 0.6605695765704487
Energy: 0.7637187324050562
Energy: 0.6605695765712156
Energy: 0.6238579678587485
Energy: 0.6413226079606837
Energy: 1.0258291743942856
Energy: 0.6413226079591497
Energy: 0.5959009007912325
Energy: 0.6207055121357455
Energy: 0.6623321995714355
Energy: 0.6207055121365125
Energy: 0.6217424064920766
Energy: 0.6202178159552483
Energy: 1.1403460511853827
Energy: 0.6202178159567647
Energy: 0.9258454048702229
Energy: 0.6597992360943191
Energy: 0.7637698988566679
Energy: 0.6597992360904844
Energy: 0.6247892888941299
Energy: 0.6513436694283383
Energy: 1.0088801436423054
Energy: 0.6513436694283383
Energy: 0.9447504995687852
Energy: 0.6202400862074933
Energy: 0.6350681643122524
Energy: 0.6202400862090269
Energy: 0.6325018112383987
Energy: 0.6207173060739445
Energy: 0.7356457712598672
Energy: 0.6207173060739445
Energy: 0.75051236829552
Energy: 0.7258078335289254
Energy: 0.6220791542459034
Energy: 0.7258078335319932
Energy: 0.7637100480831209
Energy: 0.6601281579878966
Energy: 0.7274709563388961
Energy: 0.6601281579871296
Energy: 1.0385027225321226
Energy: 0.6395856715663804
Energy: 0.6240489346779469
Energy: 0.6395856715663804
Energy: 0.8035775188098366
Energy: 0.6310248199046233
Energy: 0.5958337455326982
Energy: 0.6310248199000218
Energy: 1.264467793367124
Energy: 0.7284548131470785
Energy: 0.6217812995840597
Energy: 0.7284548131455446
Energy: 0.7633891994537348
Energy: 0.6597887546601123
Energy: 0.5882637004619581
Energy: 0.6597887546593454
Energy: 0.7647326569893316
Energy: 0.6512855598142975
Energy: 0.6258471226960826
Energy: 0.6512855598150643
Energy: 0.6323349845940371
Energy: 0.6201890347093996
Energy: 0.9454644432743895
Energy: 0.6201890347078657
Energy: 0.7383052070791274
Energy: 0.7284116838864273
Energy: 0.6331906792317568
Energy: 0.7284116838848934
Energy: 0.6236391724830668
Energy: 0.7258518506266791
Energy: 1.0690626236863363
Energy: 0.7258518506259121
Energy: 0.6036486104171549
Energy: 0.6602480329442262
Energy: 0.7646117087686565
Energy: 0.6602480329442262

minimum gb energy = 0.5882637004619581 eV
minimum distance =  2.57755480319265 Angstroms
sigma value = 41


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

Energy: 1.0038484396139649
Energy: 0.563503147886474
Energy: 0.6411209858038472
Energy: 0.563503147886474
Energy: 0.9953689596724951
Energy: 0.5504658602629198
Energy: 0.5412308697077228
Energy: 0.5504658602616621
Energy: 0.5633870368983432
Energy: 0.5397829768369558
Energy: 0.5216820615190171
Energy: 0.5397829768344408
Energy: 0.7649556887227772
Energy: 0.5521448585350416
Energy: 0.5412778341610931
Energy: 0.5521448585362991
Energy: 0.5391653560868874
Energy: 0.5783480268148845
Energy: 0.7846973339823906
Energy: 0.5783480268155133
Energy: 0.5338950165454888
Energy: 0.5517564829755833
Energy: 0.5411812260457941
Energy: 0.5517564829749545
Energy: 0.5408576880903447
Energy: 0.5507215243334732
Energy: 0.5341111875910304
Energy: 0.5507215243334732
Energy: 0.527388704794253
Energy: 0.5633767550859058
Energy: 0.5396292621907487
Energy: 0.5633767550877921
Energy: 0.540118822872796
Energy: 0.5634008833269397
Energy: 0.7658051134404945
Energy: 0.5634008833281972
Energy: 0.523834056238702
Energy: 0.5407153135895223
Energy: 0.5637640594114294
Energy: 0.5407153135964388
Energy: 0.5410413902267263
Energy: 0.5506821964449543
Energy: 0.9952388915708543
Energy: 0.5506821964449543
Energy: 0.527255343497776
Energy: 0.5642245059238546
Energy: 1.0034337875352515
Energy: 0.5642245059238546
Energy: 0.541572210981243
Energy: 0.5635298326702797
Energy: 1.0953601998878755
Energy: 0.5635298326702797
Energy: 0.8039693046397387
Energy: 0.6201608112982318
Energy: 0.5638472974776014
Energy: 0.6201608113051482
Energy: 0.5408423028666893
Energy: 0.5507673361429946
Energy: 0.9844809277116654
Energy: 0.5507673361423657
Energy: 0.8121483114747279
Energy: 0.5642520681655294
Energy: 0.539713921842092
Energy: 0.5642520681655294
Energy: 0.5414591931351858
Energy: 0.5631498877721628
Energy: 0.8699043378520781
Energy: 0.5631498877740492
Energy: 0.536069558111573
Energy: 0.6201036117850351
Energy: 0.5413299119237629
Energy: 0.6201036117850351
Energy: 0.5409101238963598
Energy: 0.5631681239267767
Energy: 0.5260798079380068
Energy: 0.5631681239274055
Energy: 0.7743967870722311
Energy: 0.5634579140043773
Energy: 0.5399855747732718
Energy: 0.5634579140050061
Energy: 0.56502803688414
Energy: 0.562822466273043
Energy: 0.5224663869114508
Energy: 0.5628224662755581
Energy: 1.1947968960200697
Energy: 0.5785690239997572
Energy: 0.5413951747929291
Energy: 0.578569023984038
Energy: 1.0007647533670019
Energy: 0.562749547484743
Energy: 0.5260316149470754
Energy: 0.5627495474853718
Energy: 1.0036361434370786
Energy: 0.5634106236158567
Energy: 0.5397811036209051
Energy: 0.5634106236190004
Energy: 0.5652529545237451
Energy: 0.6187028223250679
Energy: 0.5224639842659019
Energy: 0.6187028223238104
Energy: 0.9843127485742004
Energy: 0.578740386136097
Energy: 0.5414241960959273
Energy: 0.5787403861335819
Energy: 0.5409005692118789
Energy: 0.563169854093953
Energy: 0.811874416618689
Energy: 0.5631698540933243
Energy: 0.5421059105106145
Energy: 0.5628547642592231
Energy: 0.5400664194207099
Energy: 0.5628547642592231
Energy: 0.5416846505391635
Energy: 0.6186058137114357
Energy: 0.8120193498746006
Energy: 0.6186058137120645
Energy: 0.525856889839292
Energy: 0.5936208683873034
Energy: 0.5427646293133437
Energy: 0.5936208683841596
Energy: 0.5407898973280109
Energy: 0.5627449570629913
Energy: 0.822855951825379
Energy: 0.5627449570623625
Energy: 0.5270273018931593
Energy: 0.5625402068500096
Energy: 0.5670817095903858
Energy: 0.5625402068500096

minimum gb energy = 0.5216820615190171 eV
minimum distance =  2.56618359575634 Angstroms
sigma value = 15


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

Energy: 0.9909462221148815
Energy: 0.5035958130189495
Energy: 0.7270088758128507
Energy: 0.5035958130312006
Energy: 1.1507830813260047
Energy: 0.49710436216400017
Energy: 0.498020338160905
Energy: 0.49710436216506537
Energy: 0.628419612330486
Energy: 0.5024003079585098
Energy: 0.47350799904802066
Energy: 0.5024003079611731
Energy: 0.9679625885384238
Energy: 0.5022942955170553
Energy: 0.497793257384032
Energy: 0.5022942955154572
Energy: 0.6084124922474398
Energy: 0.49863928753556014
Energy: 0.47940597386942263
Energy: 0.49863928739820806
Energy: 0.7712326879389222
Energy: 0.49743954354781594
Energy: 0.4977901771439566
Energy: 0.4974395435494138
Energy: 0.5026041186901233
Energy: 0.5062848994355362
Energy: 0.5824991949938108
Energy: 0.5062848994387322
Energy: 0.5826435580951612
Energy: 0.5020716052872706
Energy: 0.503406975374911
Energy: 0.5020716052899339
Energy: 0.49858064623110954
Energy: 0.5077652433262296
Energy: 0.7808446399830731
Energy: 0.5077652433299583
Energy: 0.5785686894436387
Energy: 0.4975116625277179
Energy: 0.5997019876691315
Energy: 0.4975116625314465
Energy: 0.4976475697063481
Energy: 0.4972818346045849
Energy: 0.9682112752236958
Energy: 0.4972818346152137
Energy: 0.4755321603438101
Energy: 0.5022744779617705
Energy: 0.6202933414532276
Energy: 0.5022744779564439
Energy: 0.49852792138857693
Energy: 0.5067696603348923
Energy: 1.1517767574310311
Energy: 0.5067696603332943
Energy: 0.47679031146560336
Energy: 0.4976432363260023
Energy: 0.895365578675511
Energy: 0.49764323632973095
Energy: 0.4976946386137935
Energy: 0.4977444287137563
Energy: 1.2331319070973399
Energy: 0.4977444287137563
Energy: 0.7168543627012033
Energy: 0.5021810253683737
Energy: 0.6198596163812539
Energy: 0.5021810253731676
Energy: 0.4984769785793623
Energy: 0.5128819339893236
Energy: 1.141040193832443
Energy: 0.51288193399465
Energy: 0.7234270945441622
Energy: 0.4970589256597458
Energy: 0.5997481331359528
Energy: 0.4970589256618765
Energy: 0.49814968215677624
Energy: 0.49698194593984074
Energy: 0.962904013489413
Energy: 0.4969819459297203
Energy: 0.582269240839224
Energy: 0.4971733538322602
Energy: 0.5033373003400766
Energy: 0.4971733538301296
Energy: 0.504306997799336
Energy: 0.5169371608447949
Energy: 0.7732033337372692
Energy: 0.5169371608474583
Energy: 0.5967539794923606
Energy: 0.5067185193630107
Energy: 0.4974542703911483
Energy: 0.5067185193635433
Energy: 0.5992760237915004
Energy: 0.4970006620896437
Energy: 0.5771594841496068
Energy: 0.497000662090709
Energy: 0.9689748922660377
Energy: 0.4976757439560676
Energy: 0.4979325755810327
Energy: 0.497675743957133
Energy: 0.619891032814929
Energy: 0.5171156741826585
Energy: 0.47448936963877153
Energy: 0.5171156741879607
Energy: 1.1547919802655757
Energy: 0.5065677301317321
Energy: 0.4983487923810428
Energy: 0.5065677301327974
Energy: 0.9881343591869215
Energy: 0.5026144207103639
Energy: 0.47542657862414545
Energy: 0.5026144207135598
Energy: 1.32084904559405
Energy: 0.4966946621380221
Energy: 0.4977662402210855
Energy: 0.49669466214228336
Energy: 0.6196636227776796
Energy: 0.5161637092981284
Energy: 0.47199987692269485
Energy: 0.5161637092975958
Energy: 0.973510809503983
Energy: 0.5125787581699904
Energy: 0.4988195377832606
Energy: 0.5125787581699904
Energy: 0.5994718819853123
Energy: 0.4962500495524955
Energy: 0.723850323602046
Energy: 0.49625004955089747
Energy: 0.9616265417466666
Energy: 0.49668063788741523
Energy: 0.4988938315817466
Energy: 0.49668063788741523
Energy: 0.5043181443777538
Energy: 0.5164296854183803
Energy: 0.8207286894438239
Energy: 0.5164296854189129
Energy: 0.58635702411743
Energy: 0.5166817561348342
Energy: 0.5048725674731877
Energy: 0.51668175614602
Energy: 0.4872438045383129
Energy: 0.4964109383458066
Energy: 0.8299590254422377
Energy: 0.49641093834527394
Energy: 0.5753612894622586
Energy: 0.4968564362460749
Energy: 0.5992482140476879
Energy: 0.49685643623968306
Energy: 0.4986445618533712
Energy: 0.56280878088893
Energy: 1.1791614678296465
Energy: 0.5628087808894626

minimum gb energy = 0.47199987692269485 eV
minimum distance =  2.56825920829951 Angstroms
sigma value = 85


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

Energy: 0.8658700291059049
Energy: 0.4849818442012901
Energy: 0.4149674042597592
Energy: 0.48498184420313795
Energy: 1.1070160180777862
Energy: 0.48259425419361385
Energy: 0.4555962869783867
Energy: 0.48259425419361385
Energy: 0.8412629333890497
Energy: 0.48284920061806874
Energy: 0.4147627903594039
Energy: 0.48284920061806874
Energy: 0.9479359398087428
Energy: 0.482646331119936
Energy: 0.4555915110967594
Energy: 0.48264633111808813
Energy: 0.4821870014912042
Energy: 0.4546745430319742
Energy: 0.418377028939853
Energy: 0.4546745430315122
Energy: 0.7880117246304146
Energy: 0.48349408550837636
Energy: 0.4556014681370125
Energy: 0.48349408550837636
Energy: 0.45433299020307344
Energy: 0.4991841196287789
Energy: 0.35071898698295817
Energy: 0.4991841196292409
Energy: 0.6091750044280464
Energy: 0.4826249433111781
Energy: 0.4555484212312443
Energy: 0.4826249433102542
Energy: 0.45529873688359235
Energy: 0.4677756626369444
Energy: 0.6103048765415332
Energy: 0.46777566263786835
Energy: 0.35268625963366756
Energy: 0.498021092244013
Energy: 0.45459527010468354
Energy: 0.49802109224355096
Energy: 0.4562250720413932
Energy: 0.48259236749443185
Energy: 0.7880596918877534
Energy: 0.482592367493508
Energy: 0.4178426244723858
Energy: 0.4823452478447477
Energy: 0.4825023137691047
Energy: 0.4823452478484435
Energy: 0.45533469957685996
Energy: 0.4678674834661917
Energy: 0.9477897794042703
Energy: 0.4678674834648059
Energy: 0.4144875319079723
Energy: 0.4832206874682463
Energy: 0.8031915532925643
Energy: 0.4832206874691703
Energy: 0.4563468369288657
Energy: 0.4826281304264557
Energy: 1.2472246943428142
Energy: 0.4826281304255317
Energy: 0.417773125084318
Energy: 0.48498639266925414
Energy: 0.8302075127468299
Energy: 0.4849863926627866
Energy: 0.4553635354488316
Energy: 0.4678850918666463
Energy: 1.2471492503012052
Energy: 0.4678850918671083
Energy: 0.6268131770476717
Energy: 0.48309624182278416
Energy: 0.8031645385563041
Energy: 0.48309624182278416
Energy: 0.45633213809643697
Energy: 0.48262726790427496
Energy: 1.0874070562001943
Energy: 0.482627267902889
Energy: 0.6326517299411138
Energy: 0.484853359841947
Energy: 0.48247446952191503
Energy: 0.484853359841947
Energy: 0.45534253303940875
Energy: 0.4679585760587224
Energy: 0.9265535106701375
Energy: 0.4679585760587224
Energy: 0.634627549726942
Energy: 0.48270449483391364
Energy: 0.4545056873944297
Energy: 0.4827044948292939
Energy: 0.4563281893656507
Energy: 0.4821331298057707
Energy: 0.7638977299458999
Energy: 0.48213312980623263
Energy: 0.6489576925491816
Energy: 0.4977545559197542
Energy: 0.4555573035656487
Energy: 0.49775455591790624
Energy: 0.4552781437685596
Energy: 0.482026101892197
Energy: 0.592125294652583
Energy: 0.482026101892197
Energy: 0.7884996402875857
Energy: 0.4826851922503528
Energy: 0.455139527893142
Energy: 0.48268519224896683
Energy: 0.4834425384257619
Energy: 0.4819609956526503
Energy: 0.4197116243165525
Energy: 0.4819609956498994
Energy: 0.9434001888799386
Energy: 0.4976561605187652
Energy: 0.45563525240853303
Energy: 0.4976561605183033
Energy: 0.8059375648711069
Energy: 0.4818084022310068
Energy: 0.41483761315213497
Energy: 0.48180840222823496
Energy: 1.2513342011427404
Energy: 0.48221135529497744
Energy: 0.45540961644518974
Energy: 0.4822113552954394
Energy: 0.8322776589491211
Energy: 0.48212597902568866
Energy: 0.4173618334255762
Energy: 0.48212597902846044
Energy: 1.1042469214802244
Energy: 0.4975160350907718
Energy: 0.4556676253905365
Energy: 0.497516035088462
Energy: 0.8059763779505466
Energy: 0.4818170684336265
Energy: 0.4141725680695978
Energy: 0.48181706843455047
Energy: 1.0873357416900078
Energy: 0.48216589133404064
Energy: 0.45520915667103157
Energy: 0.4821658913331167
Energy: 0.4834666346495486
Energy: 0.4819434516751417
Energy: 0.6354071394425341
Energy: 0.4819434516719079
Energy: 0.7806167013008228
Energy: 0.4977039201754492
Energy: 0.4556198119361761
Energy: 0.4977039201763522
Energy: 0.4552873241840261
Energy: 0.4818713721222034
Energy: 0.6332930392520664
Energy: 0.4818713721226653
Energy: 0.7638607514746788
Energy: 0.48187641118734725
Energy: 0.4569670619734702
Energy: 0.48187641118734725
Energy: 0.4563660651042312
Energy: 0.48193872105264846
Energy: 0.6477059430004046
Energy: 0.4819387210503386
Energy: 0.433668434615518
Energy: 0.5129083458970383
Energy: 0.4565952843487359
Energy: 0.5129083458975003
Energy: 0.4553951318559416
Energy: 0.4817916892434516
Energy: 0.9670916004120722
Energy: 0.48179168923421223
Energy: 0.4190229569996662
Energy: 0.481792863891333
Energy: 0.4849801939820956
Energy: 0.481792863890871
Energy: 0.4563389151437172
Energy: 0.48196010405072504
Energy: 0.9786958630695857
Energy: 0.48196010404980105

minimum gb energy = 0.35071898698295817 eV
minimum distance =  2.58304105945938 Angstroms
sigma value = 113


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

Energy: 0.010129297005104523
Energy: 0.010654205767150492
Energy: 0.5591546969728498
Energy: 0.010654205766815084
Energy: 0.5591175000136923
Energy: 0.17457687014864326
Energy: 0.17558440359129487
Energy: 0.17457687014897866
Energy: 0.010129297004413973
Energy: 0.010654205767150492
Energy: 0.5591638252966818
Energy: 0.010654205766815084
Energy: 0.5591175000143829
Energy: 0.17457687014828813
Energy: 0.1755844035909397
Energy: 0.17457687014864326
Energy: 0.010129297005104523
Energy: 0.010654205766815084
Energy: 0.5591696627942281
Energy: 0.010654205766815084
Energy: 0.559117500014738
Energy: 0.17457687014864326
Energy: 0.17558440359060432
Energy: 0.17457687014864326

minimum gb energy = 0.010129297004413973 eV
minimum distance =  2.83826703106685 Angstroms
sigma value = 1