Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
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=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.008955006824842859
Energy: 0.9160833995153304
Energy: 0.00895500682508003
Energy: 0.9160833995153304
Energy: 0.008955006824842859
Energy: 0.9160833995155676
Energy: 0.9160833995153304
Energy: 0.941457109560661
Energy: 0.9160833995150792
Energy: 0.9414571095584566
Energy: 0.9160833995155676
Energy: 0.9414571095587076
Energy: 0.008955006824842859
Energy: 0.9160833995153304
Energy: 0.008955006824842859
Energy: 0.9160833995150792
Energy: 0.008955006824842859
Energy: 0.9160833995150792
Energy: 0.9160833995153304
Energy: 0.9414571095579684
Energy: 0.9160833995153304
Energy: 1.0759239800532117
Energy: 0.9160833995153304
Energy: 0.9414571095594332
Energy: 0.008955006824842859
Energy: 0.9160833995153304
Energy: 0.008955006824842859
Energy: 0.9160833995153304
Energy: 0.008955006824842859
Energy: 0.9160833995155676
Energy: 0.9160833995155676
Energy: 0.9414571095584566
Energy: 0.9160833995153304
Energy: 0.9414571095589449
Energy: 0.9160833995155676
Energy: 0.9414571095582055

minimum gb energy = 0.008955006824842859 eV
minimum distance =  2.58020344628419 Angstroms
sigma value = 1


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

Energy: 1.020022204152161
Energy: 0.9103807665606127
Energy: 1.0200222041515563
Energy: 0.9103807665612174
Energy: 1.020022204150952
Energy: 0.9103807665600085
Energy: 1.0693011594934085
Energy: 0.8331962164072753
Energy: 1.0693011594921995
Energy: 0.8331962164066707
Energy: 1.0693011594921995
Energy: 0.8331962164060663
Energy: 0.9976628096831055
Energy: 0.9553336064964544
Energy: 0.9384777935791515
Energy: 0.9553336064970589
Energy: 0.9976628096831055
Energy: 0.9553336064970589
Energy: 1.0280548721182523
Energy: 0.8975590170762731
Energy: 1.0280548721170435
Energy: 0.8975590170762731
Energy: 1.028054872118857
Energy: 0.8975590170768777
Energy: 0.9479775513510262
Energy: 1.0215772003616677
Energy: 0.9479775513492127
Energy: 1.0215772003616677
Energy: 0.9479775513510262
Energy: 1.0215772003622723
Energy: 0.9840111920455425
Energy: 0.8763553185585461
Energy: 0.9840111920449381
Energy: 0.8763553185579417
Energy: 0.9840111920443336
Energy: 0.8763553185615686
Energy: 0.9398743360789691
Energy: 0.9950558482137632
Energy: 0.9398743360813869
Energy: 0.995055848210741
Energy: 0.9398743360832005
Energy: 0.9950558482167857
Energy: 0.8883349164455828
Energy: 1.0587937597728276
Energy: 0.8883349164425604
Energy: 1.0587937597758503
Energy: 0.8883349164413514
Energy: 1.0587937597722235
Energy: 0.9959999268330119
Energy: 0.9961741900029034
Energy: 0.9959999268342209
Energy: 0.9961741900029034
Energy: 0.9959999268318029
Energy: 0.9961741900017219
Energy: 0.8286497685876366
Energy: 1.0518165726149202
Energy: 0.8286497685870322
Energy: 1.051816572616129
Energy: 0.8286497685876366
Energy: 1.0518165726131068
Energy: 0.9845414956495726
Energy: 0.8835021001088303
Energy: 0.984541514658116
Energy: 0.8835021001088303
Energy: 0.9845412831811596
Energy: 0.883502100109435
Energy: 0.7871661029600715
Energy: 1.0120304249826881
Energy: 0.7871661029594671
Energy: 1.01203042498027
Energy: 0.7871661029594671
Energy: 1.0120304249796657
Energy: 1.0743463374729207
Energy: 0.7762031601753636
Energy: 1.0743463374729207
Energy: 0.7762031601753636
Energy: 1.0743463374735254
Energy: 0.7762031601753636
Energy: 0.8878062662458094
Energy: 0.9433660451870541
Energy: 0.8878062662464138
Energy: 0.943366045188263
Energy: 0.8878062662464138
Energy: 0.9433660451918899
Energy: 1.101313975884518
Energy: 0.8322418852500701
Energy: 1.1013139758821278
Energy: 0.8322418852518836
Energy: 1.101313975890563
Energy: 0.8322418852512792
Energy: 1.107124961340469
Energy: 0.981731550493661
Energy: 1.1071249613386556
Energy: 0.9817315504954744
Energy: 1.107124961341678
Energy: 0.9817315504930565
Energy: 0.9872635292715831
Energy: 0.9651287001167795
Energy: 0.9872635292721875
Energy: 0.9651287001167795
Energy: 0.9872635292733966
Energy: 0.9651287001173839
Energy: 0.986914469146208
Energy: 0.8986037543079511
Energy: 0.9869144691413722
Energy: 0.8986037543049289
Energy: 0.9869144691468124
Energy: 0.8986037543061379
Energy: 0.8267702603223425
Energy: 0.897337847961793
Energy: 0.8267702603223425
Energy: 0.8973378479599795
Energy: 0.8267702603211335
Energy: 0.8973378479623974
Energy: 0.9690881759955735
Energy: 0.8766635840490712
Energy: 0.9690881759931556
Energy: 0.8766635840526981
Energy: 0.969088175992551
Energy: 0.8766635840478622
Energy: 0.8418520127251045
Energy: 1.0335110968092796
Energy: 0.841852012725709
Energy: 1.0335110912493162
Energy: 0.841852012725709
Energy: 1.0335110572581017
Energy: 0.9942189722285383
Energy: 0.9967969667604268
Energy: 0.9942189722333467
Energy: 0.9967969667604268
Energy: 0.9942189722243069
Energy: 0.9967969667592179
Energy: 0.7897547215348351
Energy: 1.0696919602183381
Energy: 0.7897547215348351
Energy: 1.0696919602183381
Energy: 0.7897547215336261
Energy: 1.069691960217129

minimum gb energy = 0.7762031601753636 eV
minimum distance =  2.59493376359329 Angstroms
sigma value = 33


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

Energy: 1.1062652780638327
Energy: 1.0397919324475253
Energy: 1.1062652780621136
Energy: 1.0397919324516514
Energy: 1.1062652780638327
Energy: 1.0397919324502758
Energy: 1.0717917785100928
Energy: 0.9213250018541308
Energy: 1.0717917785152502
Energy: 0.9213250018541308
Energy: 1.0717917785118118
Energy: 0.9213250018544745
Energy: 0.8345797549252835
Energy: 0.9213054682673968
Energy: 0.8345797549256272
Energy: 0.9213054652609443
Energy: 0.8345797549242518
Energy: 0.9213054232289032
Energy: 1.0054378873471672
Energy: 0.9991962561662907
Energy: 1.0054378873468235
Energy: 0.9991962556597089
Energy: 1.0054378873464798
Energy: 0.9991962527769715
Energy: 0.9559324984159493
Energy: 0.95576184509205
Energy: 0.9559324984169808
Energy: 0.95576184509205
Energy: 0.9559324984186999
Energy: 0.9557618450917061
Energy: 0.9071816917975272
Energy: 0.8348256243493987
Energy: 0.9071816917954643
Energy: 0.8348256243514617
Energy: 0.9071816917947764
Energy: 0.8348256243504302
Energy: 1.0418143098065666
Energy: 1.0418609667549508
Energy: 1.0418143098426684
Energy: 1.0418609667552947
Energy: 1.0418143031193547
Energy: 1.0418609667542633
Energy: 0.8017625434224301
Energy: 1.0785453684081374
Energy: 0.8017625434234616
Energy: 1.0785453683957598
Energy: 0.8017625434220863
Energy: 1.0785453683095219
Energy: 0.9389740261457546
Energy: 0.8371246913920034
Energy: 0.9389740261423164
Energy: 0.8371246913913158
Energy: 0.9389740261426601
Energy: 0.8371246913923472
Energy: 0.8158865806008554
Energy: 1.0258291599291405
Energy: 0.8158865806005117
Energy: 1.0258291593077828
Energy: 0.8158865806005117
Energy: 1.0258291559933868
Energy: 1.0447037425771248
Energy: 0.8177587565418699
Energy: 1.0447037422499583
Energy: 0.817758756541526
Energy: 1.0447037411714986
Energy: 0.8177587565422135
Energy: 0.8358962036992599
Energy: 0.8741996767212985
Energy: 0.8358962036992599
Energy: 0.8741996767206108
Energy: 0.8358962036982283
Energy: 0.8741996767230176
Energy: 1.070186618609183
Energy: 0.8060066887797122
Energy: 1.0701866186088393
Energy: 0.806006688780056
Energy: 1.0701866186109024
Energy: 0.8060066887803999
Energy: 1.0389195815487728
Energy: 1.0518488293018564
Energy: 1.0389195815491168
Energy: 1.0518488292977306
Energy: 1.0389195815484293
Energy: 1.0518488293001376
Energy: 0.9702317905338923
Energy: 0.9204369106298962
Energy: 0.9702317905311416
Energy: 0.9204369106323029
Energy: 0.970231790532173
Energy: 0.9204369106305839
Energy: 0.8348837578654287
Energy: 0.9201592363802459
Energy: 0.8348837578661166
Energy: 0.9201592363788706
Energy: 0.8348837578664603
Energy: 0.9201592363816213
Energy: 1.0048623714376737
Energy: 1.0000302538734327
Energy: 1.004862371401947
Energy: 1.0000302538789028
Energy: 1.0048623711263227
Energy: 1.000030253878559
Energy: 0.9608125907830788
Energy: 0.8349162188291243
Energy: 0.9608125907882362
Energy: 0.8349162188315311
Energy: 0.9608125907872047
Energy: 0.8349162188311873
Energy: 0.8959243305432901
Energy: 0.9031299168551987
Energy: 0.8959243305422586
Energy: 0.9031299168521043
Energy: 0.8959243305426026
Energy: 0.9031299168579494
Energy: 1.0438085659933511
Energy: 1.0408006813866533
Energy: 1.0438085659950702
Energy: 1.0408006813863093
Energy: 1.043808565997477
Energy: 1.040800681386997
Energy: 0.8020752516978278
Energy: 1.083921767397997
Energy: 0.8020752516961086
Energy: 1.0839217673928396
Energy: 0.8020752516985153
Energy: 1.0839217673914645
Energy: 0.9396932612570637
Energy: 0.837139434789045
Energy: 0.9396932612543131
Energy: 0.8371394347887013
Energy: 0.9396932612553446
Energy: 0.837139434789045
Energy: 0.8159901144555342
Energy: 1.0261246408865983
Energy: 0.8159901144562219
Energy: 1.0261246294034405
Energy: 0.8159901144558781
Energy: 1.026124415995884
Energy: 1.045473761126099
Energy: 0.9553978828545523
Energy: 1.0454737611240361
Energy: 0.95539788285524
Energy: 1.0454737611247236
Energy: 0.95539788285524
Energy: 0.8346170445062514
Energy: 0.8938479298933991
Energy: 0.8346170445059076
Energy: 0.8938479298927114
Energy: 0.8346170445076266
Energy: 0.8938479298329167
Energy: 1.0786739162692027
Energy: 1.0382227738553722
Energy: 1.0786739162702341
Energy: 1.0382227738660306
Energy: 1.0786739162712655
Energy: 1.0382227738608731
Energy: 1.0786116021032364
Energy: 1.0565238538998059
Energy: 1.0786116020956722
Energy: 1.0565238539046193
Energy: 1.0786116020994545
Energy: 1.0565238539018686
Energy: 0.8346393053447462
Energy: 0.9397352472019306
Energy: 0.8346393053416519
Energy: 0.9397352472026181
Energy: 0.8346393053447462
Energy: 0.9397352471995236
Energy: 1.0266312891083365
Energy: 0.9209762870900077
Energy: 1.0266312891165572
Energy: 0.9209762870900077
Energy: 1.0266312891100557
Energy: 0.9209762870903515
Energy: 0.8160032446620656
Energy: 1.0204179872074026
Energy: 0.8160032446627532
Energy: 1.0204158613582057
Energy: 0.8160032446620656
Energy: 1.0204048525595673
Energy: 0.9781358908561619
Energy: 0.8371917968831656
Energy: 0.9781358908472224
Energy: 0.8371917968835094
Energy: 0.9781358908513482
Energy: 0.8371917968824779
Energy: 0.8055646340168049
Energy: 1.0811719196886092
Energy: 0.8055646340174926
Energy: 1.0811719196889529
Energy: 0.8055646340168049
Energy: 1.0811719196899845
Energy: 1.0433341688398174
Energy: 1.0406624115267071
Energy: 1.0433341688370668
Energy: 1.040662411527051
Energy: 1.0433341688470066
Energy: 1.0406624115267071
Energy: 0.9226073546083318
Energy: 0.9699229960626925
Energy: 0.9226073546066127
Energy: 0.9699229960582227
Energy: 0.9226073546069565
Energy: 0.969922996055816
Energy: 0.9201404112412588
Energy: 0.8346794885607507
Energy: 0.920140411242978
Energy: 0.834679488556625
Energy: 0.920140411242978
Energy: 0.834679488556625
Energy: 0.9981248671013216
Energy: 1.0058016687929845
Energy: 0.9981248663902565
Energy: 1.0058016687967668
Energy: 0.9981248648667601
Energy: 1.0058016687878273
Energy: 0.8349551344550352
Energy: 0.9548269680552203
Energy: 0.8349551344509094
Energy: 0.9548269680500628
Energy: 0.8349551344550352
Energy: 0.9548269680531574
Energy: 0.9033457080011001
Energy: 0.8943828926890461
Energy: 0.9033457080035069
Energy: 0.8943828926911092
Energy: 0.9033457080011001
Energy: 0.8943828926907653
Energy: 1.038992835385068
Energy: 1.0425140414630887
Energy: 1.038992835386443
Energy: 1.0425140418947476
Energy: 1.0389928353857554
Energy: 1.0425140418081345
Energy: 1.0821259181760243
Energy: 0.8020374088537632
Energy: 1.0821259181712108
Energy: 0.8020374088534192
Energy: 1.082125918181182
Energy: 0.8020374088537632
Energy: 0.8359706589419017
Energy: 0.8443681586173831
Energy: 0.8359706589429333
Energy: 0.8443681586173831
Energy: 0.8359706589436209
Energy: 0.8443681586173831

minimum gb energy = 0.8017625434220863 eV
minimum distance =  2.64189702054462 Angstroms
sigma value = 51


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

Energy: 0.9869805426991414
Energy: 0.9900153922263282
Energy: 0.9869805426983447
Energy: 0.9900153922255316
Energy: 0.9869805426983447
Energy: 0.9900153922255316
Energy: 1.0335682655746625
Energy: 0.8853658045425074
Energy: 1.0335682655738658
Energy: 0.8853658045393209
Energy: 1.0335682655738658
Energy: 0.8853658045448973
Energy: 0.9651026280849824
Energy: 0.9592310461726784
Energy: 0.9651026280841858
Energy: 0.9592310461583389
Energy: 0.9651026280841858
Energy: 0.9592310459895232
Energy: 0.9740151615957159
Energy: 0.8181406122985846
Energy: 0.9740151615965125
Energy: 0.8181406122985846
Energy: 0.9740151615965125
Energy: 0.8181406122985846
Energy: 0.9769826619177437
Energy: 0.9623659182250348
Energy: 0.9769826619161504
Energy: 0.9623659182250348
Energy: 0.9769826619193368
Energy: 0.9623659182290181
Energy: 0.9853419422860867
Energy: 0.962414630352802
Energy: 0.9853419422852903
Energy: 0.9624146303543951
Energy: 0.9853419422844935
Energy: 0.9624146303567852
Energy: 0.9482373471843024
Energy: 0.9624942589593942
Energy: 0.9482373468259766
Energy: 0.9624942589585976
Energy: 0.9482373468211969
Energy: 0.9624942589593942
Energy: 0.8935302020048905
Energy: 0.962578875745081
Energy: 0.8935302020009073
Energy: 0.962578875747471
Energy: 0.8935302020032971
Energy: 0.962578875745081
Energy: 1.0915957984313607
Energy: 0.8154638324887489
Energy: 1.0915957984329538
Energy: 0.8154638324887489
Energy: 1.0915957984313607
Energy: 0.8154638324887489
Energy: 0.8323746095086625
Energy: 1.074721002545094
Energy: 0.8323746095094591
Energy: 1.074721002545094
Energy: 0.8323746095094591
Energy: 1.074721002543501
Energy: 0.7608704523440746
Energy: 0.8227808395539266
Energy: 0.7820012960036241
Energy: 0.8227808395539266
Energy: 0.7610115076342169
Energy: 0.8227808395539266
Energy: 0.9864134099309171
Energy: 0.990350609709424
Energy: 0.9864134099309171
Energy: 0.990350609709424
Energy: 0.9864134099309171
Energy: 0.9903506097102206
Energy: 1.0326504631162265
Energy: 0.8863229735380216
Energy: 1.0326503669246336
Energy: 0.8863229735380216
Energy: 1.032649907941105
Energy: 0.8863229735372248
Energy: 0.9524378895021703
Energy: 0.9072185305637969
Energy: 0.9524378895013739
Energy: 0.9072185305590171
Energy: 0.9524378894989837
Energy: 0.9072185305271696
Energy: 0.9583993177765754
Energy: 0.9807427673783081
Energy: 0.9583993177757787
Energy: 0.9807427673783081
Energy: 0.9583993177765754
Energy: 0.9807427673783081
Energy: 0.9763035918733812
Energy: 0.9623846309428393
Energy: 0.9763035918757711
Energy: 0.9623846309460259
Energy: 0.9763035918749744
Energy: 0.9623846309444325
Energy: 0.977024262480316
Energy: 1.0464758965298218
Energy: 0.9770242624795192
Energy: 1.0464758965298218
Energy: 0.9770242624755543
Energy: 1.046475896529025
Energy: 0.9495338800303721
Energy: 0.9638310169813658
Energy: 0.9495338800303721
Energy: 0.9638310169813658
Energy: 0.9495338800295756
Energy: 0.9638310169813658

minimum gb energy = 0.7608704523440746 eV
minimum distance =  2.49093107229377 Angstroms
sigma value = 19


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

Energy: 0.798101285557473
Energy: 0.8062238753261386
Energy: 0.7981012855570006
Energy: 0.8062238753261386
Energy: 0.7981012855570006
Energy: 0.8062238753261386
Energy: 0.8785531464056313
Energy: 0.9863161780905096
Energy: 0.878553146405159
Energy: 0.9863161780905096
Energy: 0.8785531464056313
Energy: 0.9863161780933449
Energy: 0.7662881656264492
Energy: 0.9848899445183873
Energy: 0.7662881656264492
Energy: 0.9848899445179148
Energy: 0.7662881656264492
Energy: 0.9848899445188598
Energy: 0.8319635958605446
Energy: 0.7665028839568298
Energy: 0.8319635958600722
Energy: 0.7665028839563574
Energy: 0.8319635958610173
Energy: 0.7665028839563574
Energy: 0.7897816929324183
Energy: 0.7951757093405556
Energy: 0.7897816929319459
Energy: 0.7951757093405556
Energy: 0.7897816929314733
Energy: 0.7951757093400831
Energy: 0.789764898621552
Energy: 0.795123576181355
Energy: 0.7897648986210793
Energy: 0.79512357618041
Energy: 0.789764898621552
Energy: 0.79512357618041
Energy: 0.8319647446503405
Energy: 0.7665082222381724
Energy: 0.8319647446531759
Energy: 0.7665082222381724
Energy: 0.831964744650813
Energy: 0.7665082222381724
Energy: 0.766284696068713
Energy: 0.984842642717475
Energy: 0.766284696068713
Energy: 0.9848426427179475
Energy: 0.766284696068713
Energy: 0.9848426427179475
Energy: 0.878544703270987
Energy: 0.9863124172410147
Energy: 0.8785447032705145
Energy: 0.9863124172410147
Energy: 0.8785447032728771
Energy: 0.9863124172429049
Energy: 0.7981012855570006
Energy: 0.8062238753261386
Energy: 0.798101285557473
Energy: 0.8062238753261386
Energy: 0.7981012855565279
Energy: 0.8062238753256659
Energy: 0.878553146405159
Energy: 0.9863161780900369
Energy: 0.8785531464056313
Energy: 0.986316178090982
Energy: 0.8785531464065766
Energy: 0.9863161780919272
Energy: 0.7662881656264492
Energy: 0.9848899445164971
Energy: 0.7662881656264492
Energy: 0.9848899445183873
Energy: 0.7662881656259767
Energy: 0.9848899445183873
Energy: 0.8319635958581819
Energy: 0.7665028839563574
Energy: 0.83196359586338
Energy: 0.7665028839563574
Energy: 0.8319635958624348
Energy: 0.7665028839563574
Energy: 0.7897816929328909
Energy: 0.7951757093405556
Energy: 0.7897816929324183
Energy: 0.7951757093400831
Energy: 0.7897816929328909
Energy: 0.7951757093415006
Energy: 0.789764898621552
Energy: 0.7951235761837179
Energy: 0.7897648986210793
Energy: 0.795123576181355
Energy: 0.7897648986210793
Energy: 0.7951235761818277
Energy: 0.8319647446517582
Energy: 0.7665082222386449
Energy: 0.8319647446517582
Energy: 0.7665082222386449
Energy: 0.831964744649868
Energy: 0.7665082222381724
Energy: 0.7662846960691855
Energy: 0.9848426427141672
Energy: 0.766284696068713
Energy: 0.9848426427155849
Energy: 0.766284696068713
Energy: 0.9848426427184201
Energy: 0.8785447032728771
Energy: 0.986312417240542
Energy: 0.8785447032724045
Energy: 0.986312417241487
Energy: 0.8785447032757125
Energy: 0.9863124172433774
Energy: 0.798101285557473
Energy: 0.8062238753247207
Energy: 0.7981012855570006
Energy: 0.8062238753256659
Energy: 0.7981012855565279
Energy: 0.8062238753261386
Energy: 0.8785531464056313
Energy: 0.9863161780914548
Energy: 0.878553146406104
Energy: 0.986316178090982
Energy: 0.8785531464046863
Energy: 0.9863161780928723
Energy: 0.7662881656264492
Energy: 0.9848899445174423
Energy: 0.7662881656264492
Energy: 0.9848899445193324
Energy: 0.7662881656264492
Energy: 0.9848899445183873
Energy: 0.8319635958600722
Energy: 0.7665028839563574
Energy: 0.8319635958610173
Energy: 0.7665028839563574
Energy: 0.8319635958629075
Energy: 0.7665028839563574
Energy: 0.7897816929319459
Energy: 0.7951757093405556
Energy: 0.7897816929314733
Energy: 0.7951757093396105
Energy: 0.7897816929319459
Energy: 0.7951757093405556
Energy: 0.789764898620607
Energy: 0.795123576181355
Energy: 0.7897648986210793
Energy: 0.7951235761808826
Energy: 0.789764898621552
Energy: 0.7951235761808826
Energy: 0.8319647446512858
Energy: 0.7665082222386449
Energy: 0.8319647446522309
Energy: 0.7665082222386449
Energy: 0.8319647446531759
Energy: 0.7665082222381724
Energy: 0.7662846960682405
Energy: 0.9848426427155849
Energy: 0.766284696068713
Energy: 0.98484264271653
Energy: 0.766284696068713
Energy: 0.9848426427193652
Energy: 0.8785447032742948
Energy: 0.9863124172419597
Energy: 0.878544703270987
Energy: 0.986312417241487
Energy: 0.8785447032733497
Energy: 0.9863124172429049
Energy: 0.7981012855570006
Energy: 0.8062238753247207
Energy: 0.7981012855565279
Energy: 0.8062238753261386
Energy: 0.7981012855560554
Energy: 0.8062238753256659
Energy: 0.8785531464056313
Energy: 0.9863161780914548
Energy: 0.8785531464032688
Energy: 0.986316178090982
Energy: 0.8785531464056313
Energy: 0.9863161780928723
Energy: 0.7662881656264492
Energy: 0.9848899445198049
Energy: 0.7662881656264492
Energy: 0.9848899445179148
Energy: 0.7662881656264492
Energy: 0.9848899445198049

minimum gb energy = 0.7662846960682405 eV
minimum distance =  2.52450128047397 Angstroms
sigma value = 27


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

Energy: 0.7599421320802918
Energy: 0.7492241701325498
Energy: 0.7599421320849218
Energy: 0.7492241701325498
Energy: 0.7599421320826067
Energy: 0.7492241701325498
Energy: 0.875307086581736
Energy: 0.7711260064293582
Energy: 0.8753070865828934
Energy: 0.7711260064293582
Energy: 0.8753070865805783
Energy: 0.7711260064316732
Energy: 0.7753692568770698
Energy: 0.8408629587726147
Energy: 0.9033565207104605
Energy: 0.8408629587737722
Energy: 0.7753692568805424
Energy: 0.8408629587726147
Energy: 0.8373362955773876
Energy: 0.7297457583714766
Energy: 0.8373362955785452
Energy: 0.7297457583703192
Energy: 0.8373362955785452
Energy: 0.7297457583703192
Energy: 0.9340430435597623
Energy: 0.7298585682568377
Energy: 0.9340430435609199
Energy: 0.7298585682557065
Energy: 0.9340430435586049
Energy: 0.7298585682557065
Energy: 0.9011066530496065
Energy: 0.9290391397803682
Energy: 0.9011066530484491
Energy: 0.9290391397815259
Energy: 0.9011066530496065
Energy: 0.9290391397826833
Energy: 0.6609486879970076
Energy: 0.7737402726843637
Energy: 0.88925585649356
Energy: 0.7737402726832063
Energy: 0.8708677340011894
Energy: 0.7737402726832063
Energy: 0.7594896793983851
Energy: 0.7493500120983706
Energy: 0.7594896793983851
Energy: 0.7493500120972132
Energy: 0.7594896793983851
Energy: 0.7493500120972132
Energy: 0.8589829650910091
Energy: 0.7751692907582384
Energy: 0.8589827794860497
Energy: 0.7751692907547658
Energy: 0.8589821474616969
Energy: 0.7751692907327736
Energy: 0.8270435042488209
Energy: 0.8995499763554203
Energy: 0.8270435042488209
Energy: 0.8995499763542629
Energy: 0.8270435042476635
Energy: 0.8995499763542629
Energy: 0.8984606034954639
Energy: 0.7312080855254416
Energy: 0.8061986372565567
Energy: 0.7312080855254416
Energy: 0.8061986372565567
Energy: 0.7312080855254416
Energy: 0.9014730154186049
Energy: 0.8595865870807712
Energy: 0.9014729572665052
Energy: 0.8595865870807712
Energy: 0.901472734436874
Energy: 0.8595865870807712

minimum gb energy = 0.6609486879970076 eV
minimum distance =  2.49600196243735 Angstroms
sigma value = 9


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

Energy: 0.7877414716416724
Energy: 0.6904526174587351
Energy: 0.7877414716390705
Energy: 0.6904526174577594
Energy: 0.7877414716423228
Energy: 0.6904526174577594
Energy: 0.7168662563904243
Energy: 0.6809471679204591
Energy: 0.7168662563904243
Energy: 0.7224629938200864
Energy: 0.7168662563897737
Energy: 0.6809471679201339
Energy: 0.6626290014567059
Energy: 0.7316157869001823
Energy: 0.6626290014563806
Energy: 0.7316157869021336
Energy: 0.6626290014550796
Energy: 0.731615786898556
Energy: 0.6842368871308808
Energy: 0.6549285995352592
Energy: 0.6842368871302302
Energy: 0.6549285995346087
Energy: 0.6842368871292546
Energy: 0.6549285995359095
Energy: 0.7086515894886523
Energy: 0.690629677797649
Energy: 0.7086515894909288
Energy: 0.6906296777982995
Energy: 0.7086515894886523
Energy: 0.6906296777982995
Energy: 0.7475466569105899
Energy: 0.7373184285164899
Energy: 0.747546656907988
Energy: 0.7373184285187665
Energy: 0.747546656910915
Energy: 0.7373184285272224
Energy: 0.7130848000629291
Energy: 0.7743582804629103
Energy: 0.7130848000609776
Energy: 0.7743582804629103
Energy: 0.7130848000525218
Energy: 0.7743582804625849
Energy: 0.6464770043435349
Energy: 0.7126897200741374
Energy: 0.6464770043445106
Energy: 0.7126897200738123
Energy: 0.6464770043428846
Energy: 0.7126897200741374
Energy: 0.7183026963213698
Energy: 0.6910596859381413
Energy: 0.718302696313239
Energy: 0.6910596859381413
Energy: 0.7183026963164914
Energy: 0.6910596859378161
Energy: 0.7048996244865701
Energy: 0.6955996065133334
Energy: 0.7048996244865701
Energy: 0.6955996065097559
Energy: 0.7048996244862448
Energy: 0.6955996065149596
Energy: 0.6817161207001439
Energy: 0.660269463309843
Energy: 0.6817161207030709
Energy: 0.6602694633108188
Energy: 0.6817161207043717
Energy: 0.6602694633085421
Energy: 0.6777235685605361
Energy: 0.7274250893706318
Energy: 0.6777235685595604
Energy: 0.7274250893761607
Energy: 0.6777235685602108
Energy: 0.7274250893644524
Energy: 0.7273308713395792
Energy: 0.7278240989382785
Energy: 0.7273308712657821
Energy: 0.7278240989334002
Energy: 0.7273308710365853
Energy: 0.7278240989428317
Energy: 0.7828051767773214
Energy: 0.7298192546272954
Energy: 0.7828051767705212
Energy: 0.7298192546276208
Energy: 0.7828051767740988
Energy: 0.7298192546263198
Energy: 0.668448456456946
Energy: 0.7046700182193022
Energy: 0.6684484564562956
Energy: 0.7046700182251563
Energy: 0.668448456456946
Energy: 0.7046700182196274
Energy: 0.667645779220455
Energy: 0.7749063992423648
Energy: 0.6676457792269594
Energy: 0.7749063992287053
Energy: 0.6676457792269594
Energy: 0.7749063992365107
Energy: 0.6615421041657896
Energy: 0.6552432793297267
Energy: 0.6617813857340793
Energy: 0.6552432793323285
Energy: 0.6617507307793836
Energy: 0.655243279332979
Energy: 0.6740803861042582
Energy: 0.6978470995158352
Energy: 0.6740803861023069
Energy: 0.6978470995158352
Energy: 0.6740803861062096
Energy: 0.6978470995155099
Energy: 0.6430623197473753
Energy: 0.8101344086632974
Energy: 0.6430623197505979
Energy: 0.8101343597031552
Energy: 0.6430623197515737
Energy: 0.8101340530171087
Energy: 0.7840957899292852
Energy: 0.6870112071434128
Energy: 0.7840957899263581
Energy: 0.6870112071460146
Energy: 0.7840957899292852
Energy: 0.6870112071456893
Energy: 0.6430479150168084
Energy: 0.8102255213492049
Energy: 0.6430479150138813
Energy: 0.8102254904312101
Energy: 0.6430479150155074
Energy: 0.8102253136064312
Energy: 0.6741231026901559
Energy: 0.6978614774855546
Energy: 0.674123102693408
Energy: 0.6978614774852293
Energy: 0.674123102690481
Energy: 0.6978614774852293
Energy: 0.6618018429177702
Energy: 0.655290838928029
Energy: 0.6616704958149433
Energy: 0.6552908389277038
Energy: 0.6617314842437749
Energy: 0.6552908389367804
Energy: 0.66767485303433
Energy: 0.7140003407448674
Energy: 0.6676748530379076
Energy: 0.7140003407432414
Energy: 0.6676748530372572
Energy: 0.7140003407429162
Energy: 0.6669728895188173
Energy: 0.7049953037046714
Energy: 0.6669728895194678
Energy: 0.7049953037033704
Energy: 0.6669728895191426
Energy: 0.7049953037075984
Energy: 0.7828848545839824
Energy: 0.7297676467620929
Energy: 0.7828848545794291
Energy: 0.7297676467611172
Energy: 0.7828848545752012
Energy: 0.7297676467643694
Energy: 0.7275213291615794
Energy: 0.7278082120511425
Energy: 0.727521329118679
Energy: 0.7278082120488659
Energy: 0.7275213289509206
Energy: 0.7278082120563462
Energy: 0.6775938708624061
Energy: 0.6645682976594371
Energy: 0.6775938708624061
Energy: 0.6645682976571605
Energy: 0.6775938708637069
Energy: 0.6645682976587867
Energy: 0.6817301643260507
Energy: 0.6603086362996509
Energy: 0.6817301643267012
Energy: 0.6603086362996509
Energy: 0.6817301643240993
Energy: 0.6603086362993256
Energy: 0.704738821133857
Energy: 0.6363353521137889
Energy: 0.7047388211361336
Energy: 0.6363353520893968
Energy: 0.7047388211345076
Energy: 0.636335352116716
Energy: 0.7189498321814678
Energy: 0.6909491616904223
Energy: 0.7189498321863462
Energy: 0.6909491616881457
Energy: 0.7189498321843949
Energy: 0.690949161690097
Energy: 0.6463921068362941
Energy: 0.7126593587527164
Energy: 0.6463921068379201
Energy: 0.7126593587530415
Energy: 0.6463921068366192
Energy: 0.7126593587527164
Energy: 0.7132515080937275
Energy: 0.7742627460457302
Energy: 0.7132515080969797
Energy: 0.7742627460460555
Energy: 0.7132515080934022
Energy: 0.774262746045405
Energy: 0.7474617432691641
Energy: 0.6753363780317981
Energy: 0.7474617432756687
Energy: 0.6753363780321233
Energy: 0.7474617432785956
Energy: 0.6753363780314728
Energy: 0.7085057346071112
Energy: 0.6904681336356739
Energy: 0.7085057346074364
Energy: 0.6904681336359991
Energy: 0.7085057346077616
Energy: 0.6904681336359991
Energy: 0.6842144921107898
Energy: 0.6549262375427152
Energy: 0.6842144921098141
Energy: 0.6549262375417394
Energy: 0.6842144921091636
Energy: 0.6549262375417394
Energy: 0.6626072407837864
Energy: 0.731701761526942
Energy: 0.6626072407834612
Energy: 0.7317017615308448
Energy: 0.6626072407854126
Energy: 0.7317017615314952
Energy: 0.716571418933919
Energy: 0.7086194210850555
Energy: 0.7165714188968725
Energy: 0.7086194210805022
Energy: 0.7165714188227503
Energy: 0.7086194210834293
Energy: 0.787741471643949
Energy: 0.6904526174597108
Energy: 0.7877414716436238
Energy: 0.6904526174577594
Energy: 0.7877414716452498
Energy: 0.6904526174597108
Energy: 0.7168662563969288
Energy: 0.6690871257207517
Energy: 0.7168662563966035
Energy: 0.6690871257201012
Energy: 0.716866256397254
Energy: 0.6690871257207517
Energy: 0.6626290014563806
Energy: 0.7316157869053858
Energy: 0.6626290014573561
Energy: 0.731615786905711
Energy: 0.6626290014563806
Energy: 0.7316157869037596
Energy: 0.6842368871334825
Energy: 0.6549285995349339
Energy: 0.6842368871318565
Energy: 0.6549285995342834
Energy: 0.6842368871321817
Energy: 0.6549285995349339
Energy: 0.7086515894880017
Energy: 0.6906296777996004
Energy: 0.7086515894889774
Energy: 0.69062967779895
Energy: 0.7086515894867008
Energy: 0.6906296777992752

minimum gb energy = 0.6363353520893968 eV
minimum distance =  2.62310460803134 Angstroms
sigma value = 57


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

Energy: 0.9661388931951086
Energy: 0.7182323052031001
Energy: 0.36915213026187765
Energy: 0.7182323052023598
Energy: 0.9661388931921472
Energy: 0.7182323052038405
Energy: 0.6909470186650767
Energy: 0.7197489043135559
Energy: 0.6909470186665573
Energy: 0.7168450005695085
Energy: 0.6909470186635959
Energy: 0.7197489043135559
Energy: 0.7242993687307215
Energy: 0.762272832794836
Energy: 0.7242993687329425
Energy: 0.542870184390695
Energy: 0.7242993687314618
Energy: 0.7622728327926152
Energy: 0.7170961245841384
Energy: 0.5426113545638597
Energy: 0.7170961245826578
Energy: 0.5426319161236961
Energy: 0.7170961245826578
Energy: 0.5426113545616387
Energy: 0.41610024729999595
Energy: 0.6991222537661622
Energy: 0.4161002472985153
Energy: 0.6991222537661622
Energy: 0.4161002472992556
Energy: 0.6991222537661622
Energy: 0.7077852480901206
Energy: 0.7250623110079802
Energy: 0.36868085591206234
Energy: 0.7250623110057592
Energy: 0.7077852480901206
Energy: 0.7250623110072398
Energy: 0.707988910315267
Energy: 0.39239984512320303
Energy: 0.3686880421831975
Energy: 0.3923998451224626
Energy: 0.7079889103167308
Energy: 0.3923998451224626
Energy: 0.7792922520260939
Energy: 0.41654984563936565
Energy: 0.779292252026834
Energy: 0.41654984564010605
Energy: 0.7792922520275745
Energy: 0.41654984564010605
Energy: 0.6162107729642021
Energy: 0.5425987018501448
Energy: 0.6162107729346055
Energy: 0.5439344113290893
Energy: 0.6162107729190586
Energy: 0.5425987018471835
Energy: 0.3909196370501402
Energy: 0.7336100366970475
Energy: 0.39091963705162086
Energy: 0.7336100366970475
Energy: 0.3909196370501402
Energy: 0.7336100366970475
Energy: 0.41576968689836097
Energy: 0.7186217060556475
Energy: 0.41576968689836097
Energy: 0.7186217060556475
Energy: 0.41576968689910127
Energy: 0.7186217060556475
Energy: 0.9661388931943681
Energy: 0.7182323052053212
Energy: 0.36915213026187765
Energy: 0.7182323052068019
Energy: 0.9661388931921472
Energy: 0.7182323052053212
Energy: 0.6909470186687783
Energy: 0.7197489043128155
Energy: 0.6909470186724799
Energy: 0.7168450005709892
Energy: 0.6909470186709993
Energy: 0.7197489043142961
Energy: 0.7242993687344231
Energy: 0.7622728327926152
Energy: 0.7242993687336827
Energy: 0.5428701843736842
Energy: 0.7242993687344231
Energy: 0.7622728327918749
Energy: 0.7170961245856191
Energy: 0.5426113545616387
Energy: 0.7170961245848788
Energy: 0.5426319161229558
Energy: 0.7170961245856191
Energy: 0.542611354560158
Energy: 0.41610024729999595
Energy: 0.6991222537669026
Energy: 0.4161002472992556
Energy: 0.6991222537676429
Energy: 0.4161002472992556
Energy: 0.6991222537661622
Energy: 0.70778524808864
Energy: 0.7250623110087207
Energy: 0.36868085591280275
Energy: 0.7250623110057592
Energy: 0.70778524808864
Energy: 0.7250623110079802
Energy: 0.707988910315267
Energy: 0.39239984512320303
Energy: 0.3686880421831975
Energy: 0.3923998451239433
Energy: 0.7079889103145266
Energy: 0.39239984512320303
Energy: 0.7792922520260939
Energy: 0.41654984564010605
Energy: 0.779292252024613
Energy: 0.41654984564084635
Energy: 0.7792922520253535
Energy: 0.41654984564084635

minimum gb energy = 0.36868085591206234 eV
minimum distance =  2.70115569641742 Angstroms
sigma value = 11


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

Energy: 0.5711563192653758
Energy: 0.752794611050189
Energy: 0.5711563192669781
Energy: 0.752794611050189
Energy: 0.5711563192664356
Energy: 0.7527946110512735
Energy: 0.6373865335812207
Energy: 0.6276708473798428
Energy: 0.6373865335795936
Energy: 0.6276708473803851
Energy: 0.6373865335849921
Energy: 0.6276708473798428
Energy: 0.7638912139583257
Energy: 0.813249958349823
Energy: 0.7638912139577835
Energy: 0.813249958349823
Energy: 0.7638912139583257
Energy: 0.81324995835145
Energy: 0.7855557430621151
Energy: 0.5403792313327427
Energy: 0.7855557430648266
Energy: 0.5403792313327427
Energy: 0.7855557430615726
Energy: 0.5403792313327427
Energy: 0.7408605896700469
Energy: 0.5244923681945317
Energy: 0.7408605896695045
Energy: 0.5244923681950739
Energy: 0.7408605896695045
Energy: 0.5244923681956163
Energy: 0.5499493769236877
Energy: 0.533580135347646
Energy: 0.5499493769236877
Energy: 0.5335801353471037
Energy: 0.5499493769236877
Energy: 0.5335801353465613
Energy: 0.5151252211758456
Energy: 0.556747441814179
Energy: 0.515125221174761
Energy: 0.556747441812552
Energy: 0.5151252211758456
Energy: 0.5567474418163483
Energy: 0.6501888104827205
Energy: 0.5041996343439441
Energy: 0.6501888104854322
Energy: 0.504199634345571
Energy: 0.6501888104870589
Energy: 0.5041996343444864
Energy: 0.6523433189639356
Energy: 0.5078050324688851
Energy: 0.652343318961224
Energy: 0.5078050324688851
Energy: 0.652343318962851
Energy: 0.5078050324683427
Energy: 0.5104153885219151
Energy: 0.7773159844129263
Energy: 0.5104153885219151
Energy: 0.7773159844150954
Energy: 0.5104153885224576
Energy: 0.7773159844118417
Energy: 0.5678186895197365
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Energy: 0.5678186895181095
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Energy: 0.5678186895170249
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Energy: 0.7414423573004453
Energy: 0.5288545108660776
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Energy: 0.7608997182905524
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Energy: 0.7608997182900099
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Energy: 0.7704014413758564
Energy: 0.7985081978846778
Energy: 0.7704014413758564
Energy: 0.7985081978819661
Energy: 0.770401441375314
Energy: 0.7985081978808816
Energy: 0.646686892812936
Energy: 0.6260357587516233
Energy: 0.6466868941323276
Energy: 0.6260357587511057
Energy: 0.6466868253659284
Energy: 0.6260357587511057
Energy: 0.5479824911488483
Energy: 0.7558844316870518
Energy: 0.547982491148306
Energy: 0.7558844316865094
Energy: 0.5479824911493907
Energy: 0.7558844316870518
Energy: 0.6106569533183376
Energy: 0.6296994854968808
Energy: 0.6106569533188799
Energy: 0.6296994854968808
Energy: 0.6106569533183376
Energy: 0.6296994854963384
Energy: 0.7842583374364506
Energy: 0.5804313946749697
Energy: 0.7842583374337391
Energy: 0.5804313946765968
Energy: 0.7842583374337391
Energy: 0.5804313946771391
Energy: 0.678622869580141
Energy: 0.5367877084365751
Energy: 0.6786228695806833
Energy: 0.5367877084371174
Energy: 0.6786228695806833
Energy: 0.5367877084365751
Energy: 0.740455336062814
Energy: 0.5434482154410435
Energy: 0.7404553360633565
Energy: 0.5434482154415857
Energy: 0.740455336064441
Energy: 0.5434482154410435
Energy: 0.5123560443864266
Energy: 0.5427131573439644
Energy: 0.5123560443858842
Energy: 0.5427131573412529
Energy: 0.5123560443864266
Energy: 0.5427131573417951
Energy: 0.5375618631746918
Energy: 0.5566976222558984
Energy: 0.5375618631752341
Energy: 0.5566976222569584
Energy: 0.5375618631795727
Energy: 0.5566976222569584
Energy: 0.6430780229817095
Energy: 0.6459806103748711
Energy: 0.6430780229833365
Energy: 0.6459806103743287
Energy: 0.6430780229827942
Energy: 0.6459806103737864
Energy: 0.6528794553426777
Energy: 0.6316797579543518
Energy: 0.6528794553410507
Energy: 0.6316797579543518
Energy: 0.6528794553426777
Energy: 0.6316797579543518
Energy: 0.5122859592567256
Energy: 0.7776291724658382
Energy: 0.5122859592556411
Energy: 0.777629172487506
Energy: 0.5122859592556411
Energy: 0.7776291676940005
Energy: 1.0332425321095668
Energy: 0.7047941624495013
Energy: 1.0332425321095668
Energy: 0.7047941624495013
Energy: 1.033242532110109
Energy: 0.7047941624511284

minimum gb energy = 0.5041996343439441 eV
minimum distance =  2.63217249068394 Angstroms
sigma value = 41


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

Energy: 0.6417813977713968
Energy: 0.5818383479408273
Energy: 0.6417813977718241
Energy: 0.5818383479403999
Energy: 0.6417813977713968
Energy: 0.5818383479408273
Energy: 0.6025982176563371
Energy: 0.5707259274443771
Energy: 0.6025982176580469
Energy: 0.5707259274443771
Energy: 0.6025982176580469
Energy: 0.5707259274443771
Energy: 0.7225694937522407
Energy: 0.6508183785250972
Energy: 0.7225694937513859
Energy: 0.6508183785272342
Energy: 0.7225694937509584
Energy: 0.650818378525952
Energy: 0.5950005737446614
Energy: 0.5610925265303127
Energy: 0.5950005737433791
Energy: 0.5610925265303127
Energy: 0.595000573745089
Energy: 0.56109252653074
Energy: 0.5650950767966522
Energy: 0.6017506153415545
Energy: 0.5650950767957973
Energy: 0.6017506153415545
Energy: 0.5650950767957973
Energy: 0.601750615341127
Energy: 0.5925730124840208
Energy: 0.5785244142303008
Energy: 0.5925730124840208
Energy: 0.5785244142298733
Energy: 0.5925730124848757
Energy: 0.5785244142320105
Energy: 0.5628839392681925
Energy: 0.8655778226809944
Energy: 0.562883939267765
Energy: 0.8655778226818492
Energy: 0.562883939267765
Energy: 0.865577822682704
Energy: 0.5434643965429216
Energy: 0.5610552959804072
Energy: 0.5434643965429216
Energy: 0.5610552959799797
Energy: 0.5434643965433489
Energy: 0.5610552959804072
Energy: 0.5726319910842234
Energy: 0.5994982100029199
Energy: 0.5726319910829409
Energy: 0.5994982100029199
Energy: 0.5726319910833684
Energy: 0.5994982100024926
Energy: 0.5919834504882757
Energy: 0.605298350362471
Energy: 0.5919834504891305
Energy: 0.6052983503607613
Energy: 0.5919834504887032
Energy: 0.6052983503505028
Energy: 0.5963159082087488
Energy: 0.6138208825582865
Energy: 0.596315908207894
Energy: 0.6138208825587139
Energy: 0.5963159082083214
Energy: 0.6138208825582865
Energy: 0.539929422089848
Energy: 0.5627673179978744
Energy: 0.539929422089848
Energy: 0.5627673180000115
Energy: 0.5399294220894205
Energy: 0.5627673179983018
Energy: 0.542643194762045
Energy: 0.56108469711534
Energy: 0.5426431947616177
Energy: 0.5610846971157675
Energy: 0.5426431947616177
Energy: 0.5610846971161948
Energy: 0.5367176725263336
Energy: 0.6067673733829714
Energy: 0.5367176725267612
Energy: 0.6067673733846811
Energy: 0.5367176725263336
Energy: 0.6067673733872456
Energy: 0.5962752552203253
Energy: 0.5787293284341819
Energy: 0.5962752552198978
Energy: 0.5787293284354642
Energy: 0.5962752552198978
Energy: 0.578729328436319
Energy: 0.5306031634008235
Energy: 0.6174712260968485
Energy: 0.530603163400396
Energy: 0.7098490278179365
Energy: 0.5306031633995412
Energy: 0.6072238349785047
Energy: 0.548826321045753
Energy: 0.5610596893952945
Energy: 0.5488263210461805
Energy: 0.5610596893952945
Energy: 0.548826321046608
Energy: 0.5610596893952945
Energy: 0.5655680527831837
Energy: 0.6516841504384444
Energy: 0.5655680527823287
Energy: 0.651684150441009
Energy: 0.5655680527823287
Energy: 0.6516841504426993
Energy: 0.6077036213302576
Energy: 0.5705291546513476
Energy: 0.6077036213289753
Energy: 0.5705291546509202
Energy: 0.6077036213298302
Energy: 0.5705291546509202
Energy: 0.593254180290125
Energy: 0.5644907634046132
Energy: 0.593254180290125
Energy: 0.5644907634063034
Energy: 0.59325418029098
Energy: 0.5644907634050407
Energy: 0.5504298318871151
Energy: 0.5712112145984918
Energy: 0.5504298318862605
Energy: 0.5712112145989192
Energy: 0.5504298318862605
Energy: 0.571211214603621
Energy: 0.5745885129354628
Energy: 0.6435766616338859
Energy: 0.5745885129320433
Energy: 0.6435766616321762
Energy: 0.574588512930353
Energy: 0.6435766616095223
Energy: 0.5949789574000022
Energy: 0.5655135905324888
Energy: 0.5949789574004296
Energy: 0.5655135905320614
Energy: 0.594978957400857
Energy: 0.5655135905320614
Energy: 0.5299223681830972
Energy: 0.6063528097019892
Energy: 0.5299223681830972
Energy: 0.6063528097024167
Energy: 0.5299223681830972
Energy: 0.6063528097024167
Energy: 0.5299575550174221
Energy: 0.5780246760878359
Energy: 0.5299575550178496
Energy: 0.5780246760891182
Energy: 0.5299575550174221
Energy: 0.5780246760891182
Energy: 0.5610217506039917
Energy: 0.6038031629425357
Energy: 0.5610217506035644
Energy: 0.6038031629442455
Energy: 0.5610217506031369
Energy: 0.6038031629459552
Energy: 0.5434092414380007
Energy: 0.5656200075260466
Energy: 0.5434092414380007
Energy: 0.5656200075269014
Energy: 0.5434092414384283
Energy: 0.5656200075264739
Energy: 0.5717049842268433
Energy: 0.6047926861183167
Energy: 0.5717049842259885
Energy: 0.6047926861191716
Energy: 0.571704984225561
Energy: 0.6047926861183167
Energy: 0.5922819765429099
Energy: 0.5718199067986806
Energy: 0.5922819765424824
Energy: 0.5718199067978257
Energy: 0.592281976542055
Energy: 0.5718199067935514
Energy: 0.6403033848714618
Energy: 0.5774178741016511
Energy: 0.6403033848701795
Energy: 0.5774178740990865
Energy: 0.6403033848714618
Energy: 0.5774178741025059
Energy: 0.5403279681180372
Energy: 0.5626736270956275
Energy: 0.5403279681184646
Energy: 0.5626736270990469
Energy: 0.5403279681180372
Energy: 0.5626736270977647
Energy: 0.5739050895519894
Energy: 0.5928731862837313
Energy: 0.5739050895515618
Energy: 0.5928731862837313
Energy: 0.5739050895519894
Energy: 0.5928731862837313
Energy: 0.5298808321291387
Energy: 0.7677249573068757
Energy: 0.5298808321291387
Energy: 0.7677249573068757
Energy: 0.5298808321291387
Energy: 0.7677249573073032

minimum gb energy = 0.5298808321291387 eV
minimum distance =  2.56739258342428 Angstroms
sigma value = 33


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

Energy: 0.6550869142223773
Energy: 0.6010453056259121
Energy: 0.6550869142211775
Energy: 0.6010453056259121
Energy: 0.6550869142217774
Energy: 0.6010453056259121
Energy: 0.6681406620484118
Energy: 0.572797942528368
Energy: 0.6681406620478119
Energy: 0.572797942528668
Energy: 0.6681406620478119
Energy: 0.572797942528368
Energy: 0.6252355023583774
Energy: 0.6706186044627814
Energy: 0.6252355023583774
Energy: 0.6706186044627814
Energy: 0.6252355023589774
Energy: 0.6706186044630814
Energy: 0.6032903172657769
Energy: 0.5881470215320802
Energy: 0.6032903172663768
Energy: 0.5881470215320802
Energy: 0.6032903172690767
Energy: 0.5881470215317802
Energy: 0.6077623354695865
Energy: 0.5750950186660685
Energy: 0.6077623354710865
Energy: 0.5750950186669684
Energy: 0.6077623354707865
Energy: 0.5750950186666686
Energy: 0.6192814957817424
Energy: 0.5998729833900479
Energy: 0.6192814957832423
Energy: 0.5998729833903479
Energy: 0.6192814957823424
Energy: 0.5998729833897478
Energy: 0.5932525184504609
Energy: 0.6445329744533169
Energy: 0.5932525184516609
Energy: 0.6445329744533169
Energy: 0.5932525184516609
Energy: 0.6445329744533169
Energy: 0.6192326916342619
Energy: 0.6196410236764662
Energy: 0.619232691633362
Energy: 0.6196410236764662
Energy: 0.6192326916339619
Energy: 0.6196410236764662
Energy: 0.5768131779010712
Energy: 0.6197208119190818
Energy: 0.5768131779010712
Energy: 0.6197208119181818
Energy: 0.5768131779013712
Energy: 0.6197208119178819
Energy: 0.6632978804039201
Energy: 0.5856222952912072
Energy: 0.6632978804060201
Energy: 0.5856222952909071
Energy: 0.6632978804075199
Energy: 0.5856222952912072
Energy: 0.6228270971761029
Energy: 0.6196108665169457
Energy: 0.6228270971752029
Energy: 0.6196108665163459
Energy: 0.622827097174603
Energy: 0.6196108665166457
Energy: 0.6034481985697835
Energy: 0.5885633445141318
Energy: 0.6034481985715834
Energy: 0.5885633445141318
Energy: 0.6034481985703835
Energy: 0.5885633445138319
Energy: 0.6201070941398412
Energy: 0.5718225906454798
Energy: 0.620107094142841
Energy: 0.5718225906421801
Energy: 0.620107094142541
Energy: 0.5718225906451797
Energy: 0.6192121623150234
Energy: 0.6189854651631889
Energy: 0.6192121623141235
Energy: 0.618985465163489
Energy: 0.6192121623156233
Energy: 0.6189854651631889
Energy: 0.6305808336957167
Energy: 0.5901051489536783
Energy: 0.6305808336957167
Energy: 0.5901051489536783
Energy: 0.6305808336960166
Energy: 0.5901051489530783
Energy: 0.5858532315401589
Energy: 0.669219007896002
Energy: 0.5858532315401589
Energy: 0.6692190078957019
Energy: 0.5858532315407587
Energy: 0.669219007893902
Energy: 0.5747504499809402
Energy: 0.5733329501358444
Energy: 0.5747504499809402
Energy: 0.5733329501358444
Energy: 0.5747504499818401
Energy: 0.5733329501352443
Energy: 0.5832023405801151
Energy: 0.6037387500204447
Energy: 0.5832023405801151
Energy: 0.603738750016545
Energy: 0.5832023405795151
Energy: 0.6037387500147452
Energy: 0.6741675959727645
Energy: 0.6015546867203674
Energy: 0.6741675959718646
Energy: 0.6015546867230673
Energy: 0.6741675959724647
Energy: 0.6015546867221674
Energy: 0.5716638335996117
Energy: 0.5973378938403971
Energy: 0.5716638335984118
Energy: 0.597337893841897
Energy: 0.5716638335984118
Energy: 0.5973378938403971
Energy: 0.5743820241977785
Energy: 0.6211533846625856
Energy: 0.5743820241989783
Energy: 0.6211533846619858
Energy: 0.5743820241986783
Energy: 0.6211533846604859
Energy: 0.5682522513425471
Energy: 0.6489119322149138
Energy: 0.5682522513428472
Energy: 0.6489119322158137
Energy: 0.5682522513422471
Energy: 0.6489119322158137
Energy: 0.6303242971675428
Energy: 0.5591581984395266
Energy: 0.6303242971681426
Energy: 0.5591581984380268
Energy: 0.6303242971666428
Energy: 0.5591581984389268
Energy: 0.5723478748581833
Energy: 0.6035591950347217
Energy: 0.5723478748575833
Energy: 0.6035591950341218
Energy: 0.5723478748584833
Energy: 0.6035591950338217
Energy: 0.5722468029671323
Energy: 0.5730052879477591
Energy: 0.5722468029683322
Energy: 0.573005287948359
Energy: 0.5722468029647324
Energy: 0.5730052879480589
Energy: 0.5951722287758768
Energy: 0.6191485807298301
Energy: 0.5951722287755767
Energy: 0.6191485807268577
Energy: 0.5951722287758768
Energy: 0.6191485807286576
Energy: 0.6487173881260818
Energy: 0.5973169545887119
Energy: 0.6487173881275816
Energy: 0.5973169545887119
Energy: 0.6487173881320815
Energy: 0.5973169545887119
Energy: 0.62091855821927
Energy: 0.5742708232810086
Energy: 0.6209185582174702
Energy: 0.5742708232807086
Energy: 0.62091855821927
Energy: 0.5742708232798087
Energy: 0.5976565470252495
Energy: 0.5773386024675069
Energy: 0.5976565470258495
Energy: 0.5773386024687068
Energy: 0.5976565470279493
Energy: 0.577338602466307
Energy: 0.5810666344152644
Energy: 0.6633255996536598
Energy: 0.5810666344164642
Energy: 0.6633255996527598
Energy: 0.5810666344161642
Energy: 0.6633255996533597
Energy: 0.6014199759435566
Energy: 0.579223049640788
Energy: 0.6014199759441565
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Energy: 0.6014199759432566
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Energy: 0.5725414233118434
Energy: 0.6329417868247373
Energy: 0.5725414233130434
Energy: 0.6329417868190377
Energy: 0.5725414233118434
Energy: 0.6329417868250372
Energy: 0.5714599467644654
Energy: 0.5867134211851713
Energy: 0.5714599467665652
Energy: 0.5867134211848714
Energy: 0.5714599467647653
Energy: 0.5867134211788718
Energy: 0.6264695382567685
Energy: 0.6354162994706141
Energy: 0.6264695382576685
Energy: 0.6354162994709142
Energy: 0.6264695382567685
Energy: 0.635416299471214
Energy: 0.6264131280694405
Energy: 0.6354074012331672
Energy: 0.6264131280694405
Energy: 0.6354074012334672
Energy: 0.6264131280697405
Energy: 0.6354074012334672
Energy: 0.5714132820314801
Energy: 0.5867857737035793
Energy: 0.5714132820323801
Energy: 0.5867857737029795
Energy: 0.5714132820338527
Energy: 0.5867857737026795
Energy: 0.5724428011996657
Energy: 0.6330934721637993
Energy: 0.5724428011969658
Energy: 0.633093472166799
Energy: 0.5724428011966932
Energy: 0.6330934721580997
Energy: 0.6014286012959197
Energy: 0.5791280564261225
Energy: 0.6014286012953197
Energy: 0.5791280564258225
Energy: 0.6014286012959197
Energy: 0.5791280564264225
Energy: 0.5810674706659431
Energy: 0.6632469060880711
Energy: 0.5810674706638431
Energy: 0.6632469060874712
Energy: 0.5810674706644431
Energy: 0.6632469060862711
Energy: 0.5975446076565258
Energy: 0.57744148233461
Energy: 0.5975446076586256
Energy: 0.57744148233401
Energy: 0.5975446076619254
Energy: 0.5774414823322102
Energy: 0.6209410091464321
Energy: 0.5742919089077472
Energy: 0.6209410091485319
Energy: 0.5742919089077472
Energy: 0.620941009148232
Energy: 0.5742919089080472
Energy: 0.6489002262572181
Energy: 0.5971921871573691
Energy: 0.6489002262575181
Energy: 0.5971921871570691
Energy: 0.6489002262575181
Energy: 0.5971921871576691
Energy: 0.595303570578134
Energy: 0.6190468121259237
Energy: 0.595303570578434
Energy: 0.6190468121298233
Energy: 0.5953035705796338
Energy: 0.6190468121295234
Energy: 0.5721878780968488
Energy: 0.5732945833600546
Energy: 0.5721878780980488
Energy: 0.5732945833603545
Energy: 0.5721878781001486
Energy: 0.5732945833603545
Energy: 0.5723413211545656
Energy: 0.6026056250588341
Energy: 0.5723413211545656
Energy: 0.6026056250591341
Energy: 0.5723413211545656
Energy: 0.602605625060034
Energy: 0.6303376257521868
Energy: 0.5591845015455912
Energy: 0.6303376257524866
Energy: 0.5591845015449912
Energy: 0.6303376257518868
Energy: 0.5591845015446912
Energy: 0.568249701013591
Energy: 0.6486874400931737
Energy: 0.5682497010147909
Energy: 0.6486874400949735
Energy: 0.5682497010150908
Energy: 0.6486874400940736

minimum gb energy = 0.5591581984380268 eV
minimum distance =  2.64205564222459 Angstroms
sigma value = 67


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

Energy: 0.7146425331969318
Energy: 0.661635018526686
Energy: 0.7146425331963394
Energy: 0.6616350185272784
Energy: 0.7146425331987315
Energy: 0.661635018526686
Energy: 0.6627716314820011
Energy: 0.5773035562775771
Energy: 0.6627716314791989
Energy: 0.5773035562773721
Energy: 0.6627716314809988
Energy: 0.5773035562791718
Energy: 0.5846854455031989
Energy: 0.7548614385006862
Energy: 0.5846854455024015
Energy: 0.7548614385006862
Energy: 0.5846854455058189
Energy: 0.7548614385008683
Energy: 0.6627395938833436
Energy: 0.5774833710291467
Energy: 0.6627395938813389
Energy: 0.5774833710293518
Energy: 0.6627395938849384
Energy: 0.5774833710295567
Energy: 0.7146425331969318
Energy: 0.6616350185252735
Energy: 0.714642533200144
Energy: 0.6616350185254785
Energy: 0.7146425331965217
Energy: 0.6616350185256836
Energy: 0.6627716314853956
Energy: 0.5773035562777822
Energy: 0.6627716314924126
Energy: 0.5773035562775771
Energy: 0.6627716314832087
Energy: 0.5773035562799692
Energy: 0.5846854455138382
Energy: 0.7548614385006862
Energy: 0.5846854455134282
Energy: 0.7548614385006862
Energy: 0.5846854455138382
Energy: 0.7548614385006862

minimum gb energy = 0.5773035562773721 eV
minimum distance =  2.64879721589487 Angstroms
sigma value = 3


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

Energy: 0.8122856065359702
Energy: 0.7603227836721987
Energy: 0.8122856065351518
Energy: 0.760322783671926
Energy: 0.812285606534606
Energy: 0.7603227836727444
Energy: 0.733965131031182
Energy: 0.6571602890077529
Energy: 0.7339651310347287
Energy: 0.6571602890082986
Energy: 0.7339651310325462
Energy: 0.6571602890074801
Energy: 0.7310131925714579
Energy: 0.823153117526082
Energy: 0.7310131925722764
Energy: 0.823153117526082
Energy: 0.7310131925698209
Energy: 0.8231531175263548
Energy: 0.7082053275964104
Energy: 0.6548712250251617
Energy: 0.7082053275964104
Energy: 0.7071152872739674
Energy: 0.7082053275958647
Energy: 0.6545069437422993
Energy: 0.7585291623776172
Energy: 0.7070825143449301
Energy: 0.7585291623773442
Energy: 0.7069721268190221
Energy: 0.7585291623784356
Energy: 0.6961268213166828
Energy: 0.7048853149753946
Energy: 0.6949474276466585
Energy: 0.7048853149767589
Energy: 0.6949474276469313
Energy: 0.7048853149753946
Energy: 0.6949474276472042
Energy: 0.7255780991549197
Energy: 0.8372951727985702
Energy: 0.7255780991513731
Energy: 0.8372951727988431
Energy: 0.7255780991546469
Energy: 0.8372951727982975
Energy: 0.6804568180105824
Energy: 0.6448595577793785
Energy: 0.6804568180135835
Energy: 0.6450912906259865
Energy: 0.6804568180116737
Energy: 0.6448493665474873
Energy: 0.7467846222590004
Energy: 0.6585635059920862
Energy: 0.7467846222584549
Energy: 0.6585113410032128
Energy: 0.7467846222579092
Energy: 0.6493633619747312
Energy: 0.6760985851929628
Energy: 0.6950032980740051
Energy: 0.6758711279093287
Energy: 0.6950032980737323
Energy: 0.6762802680290743
Energy: 0.695003298072641
Energy: 0.7307116966299104
Energy: 0.7995099103010858
Energy: 0.7307116966285463
Energy: 0.7995099102999944
Energy: 0.7307116966282735
Energy: 0.7995099103008128
Energy: 0.6805674120171379
Energy: 0.6501316679412522
Energy: 0.680567412016865
Energy: 0.6500880870268608
Energy: 0.6805674120176834
Energy: 0.6467466210508008
Energy: 0.7827587944478288
Energy: 0.6581140322210298
Energy: 0.7827587421183624
Energy: 0.6579328587697864
Energy: 0.7827557839029545
Energy: 0.6579932921094016
Energy: 0.6747062620953621
Energy: 0.6945372149310981
Energy: 0.6739748048406832
Energy: 0.6945372149330079
Energy: 0.6744087628913278
Energy: 0.6945372149335535
Energy: 0.7948663217677095
Energy: 0.6799448192572701
Energy: 0.7948663217688008
Energy: 0.6799448192564517
Energy: 0.794866321768528
Energy: 0.6799448192561788
Energy: 0.7239748926803751
Energy: 0.7937668991705655
Energy: 0.7239748926814663
Energy: 0.7937668991705655
Energy: 0.7239748926809206
Energy: 0.746197093459825
Energy: 0.7258444990299188
Energy: 0.6588320069768855
Energy: 0.7266456973501556
Energy: 0.6588320069771583
Energy: 0.7269903529053443
Energy: 0.6588320069771583
Energy: 0.6696119553012592
Energy: 0.6947514268030475
Energy: 0.6696378291342312
Energy: 0.6947514268019562
Energy: 0.6697371337234722
Energy: 0.6947514268025019
Energy: 0.7953263660736296
Energy: 0.7022155524862369
Energy: 0.7953263660747208
Energy: 0.7022155524862369
Energy: 0.7953263660747208
Energy: 0.7022155524873283
Energy: 0.68052588932705
Energy: 0.6996408502738256
Energy: 0.6805258893275957
Energy: 0.6996408502762811
Energy: 0.68052588932705
Energy: 0.6996408502760083
Energy: 0.7633703424241797
Energy: 0.6965767952177043
Energy: 0.763368174683836
Energy: 0.6965767952187957
Energy: 0.7633647314896094
Energy: 0.6965767952190686
Energy: 0.6712532005134003
Energy: 0.7761222982174224
Energy: 0.6712532005136731
Energy: 0.7761222982182407
Energy: 0.6712532005128546
Energy: 0.7761222982176951
Energy: 0.8123967953850122
Energy: 0.6526225011928418
Energy: 0.8123967953847393
Energy: 0.6524297372951567
Energy: 0.8123967953850122
Energy: 0.6526289086401168
Energy: 0.6722629783679389
Energy: 0.6993318387862048
Energy: 0.672262978366029
Energy: 0.6993318387892059
Energy: 0.6722629783668476
Energy: 0.6993318387886601
Energy: 0.728199191554726
Energy: 0.6967146743765281
Energy: 0.7821389181977201
Energy: 0.6967146743770738
Energy: 0.7279176024002686
Energy: 0.696714674375164
Energy: 0.6799607894481274
Energy: 0.7317764220853635
Energy: 0.6799607894486732
Energy: 0.7317764220850905
Energy: 0.6799607894484002
Energy: 0.7317764220848176
Energy: 0.7121543312210811
Energy: 0.6747582547114004
Energy: 0.7121543312188984
Energy: 0.6706003453428292
Energy: 0.7121543312183528
Energy: 0.6756534692913836
Energy: 0.6947084132080815
Energy: 0.6829339685910327
Energy: 0.6953695188791776
Energy: 0.6829339685913056
Energy: 0.6956987872338347
Energy: 0.6829339685907598
Energy: 0.7220276423033652
Energy: 0.6588161458681793
Energy: 0.724974750943916
Energy: 0.658816145868452
Energy: 0.725771292888499
Energy: 0.6588161458665422
Energy: 0.7237017057215893
Energy: 0.7052732951082563
Energy: 0.7237017057174969
Energy: 0.7052732951077108
Energy: 0.7237017057196796
Energy: 0.7052732951079836
Energy: 0.7399703386546481
Energy: 0.7097466954055115
Energy: 0.7399703386541024
Energy: 0.7097466954036016
Energy: 0.7399703386538296
Energy: 0.7097466954052386
Energy: 0.7051808029220915
Energy: 0.6598549494031078
Energy: 0.7052208470135896
Energy: 0.6598549494036534
Energy: 0.7059299477708563
Energy: 0.659854949402835
Energy: 0.7163095264122392
Energy: 0.6869316449602006
Energy: 0.7167639529406717
Energy: 0.6870636503713202
Energy: 0.7171532354630877
Energy: 0.6872625240400585
Energy: 0.7235737973535408
Energy: 0.6703099636392474
Energy: 0.7235737973524495
Energy: 0.6701125612153813
Energy: 0.7235737973513583
Energy: 0.6762108008202108
Energy: 0.6723657402635156
Energy: 0.7310211210065776
Energy: 0.6723657402648797
Energy: 0.7310211210068256
Energy: 0.6723657402651525
Energy: 0.7310211210065776
Energy: 0.6952665404445845
Energy: 0.6958443562655559
Energy: 0.6960228762173606
Energy: 0.6958443562674655
Energy: 0.6963693279770409
Energy: 0.6958443562671928
Energy: 0.7176323272503898
Energy: 0.6496067199378585
Energy: 0.7176323272503898
Energy: 0.6484054801486662
Energy: 0.7176323272487527
Energy: 0.648917766893203
Energy: 0.7235701336628395
Energy: 0.6525710769394576
Energy: 0.7235701336644764
Energy: 0.6524696755761075
Energy: 0.7235701336631124
Energy: 0.6524005637013798
Energy: 0.6411560129480159
Energy: 0.7760737161507292
Energy: 0.6411560129485615
Energy: 0.7760737161515476
Energy: 0.6411560129485615
Energy: 0.7760737161515476
Energy: 0.7126866539374103
Energy: 0.6962208128380312
Energy: 0.7118002858921082
Energy: 0.6962208128380312
Energy: 0.711911710632328
Energy: 0.6962208128369399
Energy: 0.681467496019845
Energy: 0.6575376758814376
Energy: 0.681467496019845
Energy: 0.6567452058479419
Energy: 0.6814674960192993
Energy: 0.6573200461583363
Energy: 0.8267468930968647
Energy: 0.6539856350109088
Energy: 0.8267468930927723
Energy: 0.6539856350100903
Energy: 0.8267468930952278
Energy: 0.6539856350095447
Energy: 0.6856962735072565
Energy: 0.6943704623807948
Energy: 0.6856965220133113
Energy: 0.6943704623810676
Energy: 0.6856870115533859
Energy: 0.6943704623802491
Energy: 0.6978249288020163
Energy: 0.6590124547041004
Energy: 0.6963804253865894
Energy: 0.6590124547038275
Energy: 0.6965588601968793
Energy: 0.6590124547035546
Energy: 0.7250771843166206
Energy: 0.7204054411090582
Energy: 0.7250771843166206
Energy: 0.720405441107694
Energy: 0.7250771843155293
Energy: 0.7204054410899604
Energy: 0.7758339818515785
Energy: 0.6762953926090114
Energy: 0.7758339818518512
Energy: 0.6762953926081929
Energy: 0.7758339818518512
Energy: 0.6762953926084657
Energy: 0.7299015735047935
Energy: 0.6944511299457489
Energy: 0.6300089844749877
Energy: 0.6944511299457489
Energy: 0.6300433647208132
Energy: 0.6944511299462945
Energy: 0.7211101544002514
Energy: 0.6561305927549415
Energy: 0.721330543799493
Energy: 0.6563016602778656
Energy: 0.7215887772452929
Energy: 0.6559458655061537
Energy: 0.6815719976480886
Energy: 0.6574501500114712
Energy: 0.6815719976491799
Energy: 0.6574609091756247
Energy: 0.6815719976497255
Energy: 0.6556516906721775
Energy: 0.7315863091558079
Energy: 0.6943940322584482
Energy: 0.7315863091547167
Energy: 0.6943940322598124
Energy: 0.7315863091538983
Energy: 0.6943940322595397
Energy: 0.6752350687935232
Energy: 0.694509915085358
Energy: 0.6748801739788622
Energy: 0.6945099150837211
Energy: 0.6750489629724314
Energy: 0.6945099150889048

minimum gb energy = 0.6300089844749877 eV
minimum distance =  2.62070456831285 Angstroms
sigma value = 81


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

Energy: 0.8035371060125914
Energy: 0.8329487684766952
Energy: 0.7637445961164736
Energy: 0.8329487684770698
Energy: 0.8035677991269066
Energy: 0.8329487684781931
Energy: 0.8142120627015242
Energy: 0.7960287437931965
Energy: 0.8142120627045197
Energy: 0.7960287437916987
Energy: 0.8142120627007754
Energy: 0.7960287437920732
Energy: 0.7929580413066303
Energy: 0.6566503047655853
Energy: 0.7961769272219056
Energy: 0.6566503047659596
Energy: 0.792958041309626
Energy: 0.6566503047678319
Energy: 0.7498039545442152
Energy: 0.7768112047305124
Energy: 0.7498039545415942
Energy: 0.7768112044756329
Energy: 0.7498039545445898
Energy: 0.7768112028669737
Energy: 0.8071676826752774
Energy: 0.7140133857929853
Energy: 0.8071676826767752
Energy: 0.7140133857933598
Energy: 0.8071676826741542
Energy: 0.7140133857952321
Energy: 0.7758727658976158
Energy: 0.781063585186945
Energy: 0.7758727658987391
Energy: 0.7810635851873194
Energy: 0.7758727658991135
Energy: 0.7810635851865705
Energy: 0.7287553534918267
Energy: 0.7796588848952628
Energy: 0.7287553534933244
Energy: 0.7796588848948884
Energy: 0.7287553534918267
Energy: 0.7796588848930162
Energy: 0.8064343267908158
Energy: 0.792920647098284
Energy: 0.8064418897278142
Energy: 0.7929206470971608
Energy: 0.8064343267900669
Energy: 0.7929206470967863
Energy: 0.8556990523270755
Energy: 0.6584733096221719
Energy: 0.8556990486767094
Energy: 0.6608337727466627
Energy: 0.855699038816273
Energy: 0.6266369576370612
Energy: 0.6975102937850236
Energy: 0.7897329263991542
Energy: 0.696694759351345
Energy: 0.7897329263987796
Energy: 0.6862163443061396
Energy: 0.7897329263976561
Energy: 0.7867903447751932
Energy: 0.8126717297381394
Energy: 0.7867903447793122
Energy: 0.8126717297381394
Energy: 0.7867903448268501
Energy: 0.8126717297388881
Energy: 0.8245130006193643
Energy: 0.7423823704309871
Energy: 0.824510652885024
Energy: 0.7423823704283659
Energy: 0.8245130006189897
Energy: 0.7423823704317358
Energy: 0.8076234318412023
Energy: 0.8070593910832808
Energy: 0.8076234318374578
Energy: 0.8070593910832808
Energy: 0.8076234318408277
Energy: 0.8070593910829065
Energy: 0.7807064725052899
Energy: 0.6594033958619123
Energy: 0.7807064718446971
Energy: 0.6594033958615377
Energy: 0.7807064706050727
Energy: 0.6594033958604144
Energy: 0.7936407326304677
Energy: 0.7494520000025169
Energy: 0.7936407326308422
Energy: 0.7494520000021424
Energy: 0.7936407326304677
Energy: 0.7494520000047635
Energy: 0.8063933283611152
Energy: 0.7222618608614536
Energy: 0.8063933283644851
Energy: 0.7222618608622025
Energy: 0.8063933283611152
Energy: 0.7222618608637003
Energy: 0.8552357994295086
Energy: 0.7498445434801627
Energy: 0.8555160923054538
Energy: 0.7498445434816605
Energy: 0.8552357554915546
Energy: 0.7498445434824095
Energy: 0.7381992211528711
Energy: 0.9168289526029106
Energy: 0.7381746403648997
Energy: 0.9168289526029106
Energy: 0.7381992211528711
Energy: 0.9168289526014126
Energy: 0.6555147794885202
Energy: 0.6963476886858271
Energy: 0.6555147794918903
Energy: 0.6963476886858271
Energy: 0.6555147794892692
Energy: 0.6963476886847038
Energy: 0.7771867768360355
Energy: 0.6561166756265392
Energy: 0.7771867726658004
Energy: 0.6563384110112289
Energy: 0.7771867827713975
Energy: 0.6566822175101993
Energy: 0.7124444069812879
Energy: 0.808137842434823
Energy: 0.7124444069827857
Energy: 0.8081378424389418
Energy: 0.7124444069816622
Energy: 0.8081378424378186
Energy: 0.8165574059647204
Energy: 0.812181961878476
Energy: 0.7104937422067957
Energy: 0.8121819618781015
Energy: 0.8165574059643461
Energy: 0.8121819618792248
Energy: 0.8130245724146811
Energy: 0.6611805724939538
Energy: 0.7240107351666555
Energy: 0.6611805724939538
Energy: 0.8130245724169278
Energy: 0.6611805724969493
Energy: 0.7905475477513318
Energy: 0.8061934970127943
Energy: 0.7905475477543276
Energy: 0.8061934970131689
Energy: 0.7905475477513318
Energy: 0.8061934970112966
Energy: 0.6574929876587693
Energy: 0.7435033271927222
Energy: 0.657978590148308
Energy: 0.7435027356844054
Energy: 0.6470588914281864
Energy: 0.7434993026203488
Energy: 0.7935214146143669
Energy: 0.8076349856935098
Energy: 0.7935214146132434
Energy: 0.8078131954711621
Energy: 0.7935214146143669
Energy: 0.8076322626298736
Energy: 0.7393336838928016
Energy: 0.7441902445089826
Energy: 0.7393336838957972
Energy: 0.7441902445093401
Energy: 0.7393336838950483
Energy: 0.7441902445104635
Energy: 0.750380741572663
Energy: 0.7810349845298099
Energy: 0.7503759657892862
Energy: 0.7810349845316822
Energy: 0.7505022491763307
Energy: 0.7810349845275633
Energy: 0.8064566916905107
Energy: 0.806161622429606
Energy: 0.8065712791127785
Energy: 0.8061616224288571
Energy: 0.8064566916837709
Energy: 0.8061616224258614
Energy: 0.6578565181720671
Energy: 0.7247705899674542
Energy: 0.6578565181731906
Energy: 0.7247705899674542
Energy: 0.6578565181716928
Energy: 0.7247705899682031
Energy: 0.7769924616459173
Energy: 0.7921360458656443
Energy: 0.7769924616391942
Energy: 0.7921360458660188
Energy: 0.7769924615890353
Energy: 0.7921360458675166
Energy: 0.7208429759321621
Energy: 0.8082151635449015
Energy: 0.720842975928043
Energy: 0.8082151635463993
Energy: 0.7208429759325364
Energy: 0.8082151635490206
Energy: 0.8244607319346362
Energy: 0.7479626118249694
Energy: 0.8244509300244556
Energy: 0.7479626140223785
Energy: 0.8244607319353852
Energy: 0.7479626096601371
Energy: 0.8238208537683611
Energy: 0.7212613411929608
Energy: 0.8238254084640041
Energy: 0.7212613411918375
Energy: 0.8238208537687356
Energy: 0.7212613411940842
Energy: 0.7673252099630938
Energy: 0.9149785979311736
Energy: 0.7673962366909906
Energy: 0.9149785979311736
Energy: 0.7673252099642172
Energy: 0.9149785979293014
Energy: 0.6704727535867259
Energy: 0.709471270310005
Energy: 0.6700730600751422
Energy: 0.7095942570995647
Energy: 0.6700359182199661
Energy: 0.7180785765417753
Energy: 0.8063336616613922
Energy: 0.7222365540946183
Energy: 0.8063336616681323
Energy: 0.7222365540938694
Energy: 0.8063336616685068
Energy: 0.7222365540938694
Energy: 0.8120294341557656
Energy: 0.7554813650654975
Energy: 0.812029434156889
Energy: 0.7554813650666209
Energy: 0.8120294341557656
Energy: 0.755481365065872

minimum gb energy = 0.6266369576370612 eV
minimum distance =  2.58512458893864 Angstroms
sigma value = 43


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

Energy: 0.8055652489288715
Energy: 0.7609295255597425
Energy: 0.80556524893207
Energy: 0.7609295255602024
Energy: 0.8055652489293316
Energy: 0.7609295255597425
Energy: 0.7223618738807306
Energy: 0.6722936993045052
Energy: 0.7223618738816504
Energy: 0.6722936993040453
Energy: 0.7223618738807306
Energy: 0.6722936993045052
Energy: 0.8021582909267441
Energy: 0.8076544501200807
Energy: 0.802158290925824
Energy: 0.8076544501196208
Energy: 0.8021582909295039
Energy: 0.8076544501196208
Energy: 0.6913046554154195
Energy: 0.6997340416696021
Energy: 0.6913046554158795
Energy: 0.6997340388854314
Energy: 0.6913046554154195
Energy: 0.6997340292309513
Energy: 0.7548717415043069
Energy: 0.6747404467991786
Energy: 0.754871741503847
Energy: 0.6748965963974541
Energy: 0.754871741503847
Energy: 0.6750196909013145
Energy: 0.7240798769834089
Energy: 0.7244994073995905
Energy: 0.6865846155382578
Energy: 0.7244994074000504
Energy: 0.68658710113917
Energy: 0.7244994073995905
Energy: 0.8419171890526993
Energy: 0.8517717561762804
Energy: 0.8419171890526993
Energy: 0.8517717561758206
Energy: 0.8419171890531592
Energy: 0.8517717561758206
Energy: 0.7137510357817617
Energy: 0.6585488042208679
Energy: 0.7137510357813018
Energy: 0.6584392577857651
Energy: 0.7137510357817617
Energy: 0.6584874309389603
Energy: 0.6934040021018449
Energy: 0.6614354685730693
Energy: 0.7357913894878717
Energy: 0.6614354685735293
Energy: 0.7352919234087418
Energy: 0.6614354685735293
Energy: 0.6772669662913113
Energy: 0.7271748917852564
Energy: 0.6772669629701803
Energy: 0.7271748917857163
Energy: 0.6772669604774869
Energy: 0.7271748917852564
Energy: 0.8085282669179474
Energy: 0.7019264634698986
Energy: 0.8085282669179474
Energy: 0.7019264634689788
Energy: 0.8085282669179474
Energy: 0.7019264634694387
Energy: 0.7135102622813555
Energy: 0.7086705121668964
Energy: 0.7135102622804356
Energy: 0.7084521707166296
Energy: 0.7135102622808954
Energy: 0.7086753145344122
Energy: 0.7519362236763736
Energy: 0.725126377478141
Energy: 0.7524938304038556
Energy: 0.725126377478141
Energy: 0.7525044418149636
Energy: 0.725126377478141
Energy: 0.6452989178592942
Energy: 0.8428464863157497
Energy: 0.6452989178597541
Energy: 0.8428464863157497
Energy: 0.6452989178592942
Energy: 0.8428464863157497
Energy: 0.6879134052541104
Energy: 0.7334339363126458
Energy: 0.6879134052545703
Energy: 0.652871501302458
Energy: 0.6879134052536504
Energy: 0.6531070960743846
Energy: 0.7272909100720718
Energy: 0.658494420467703
Energy: 0.689037932515596
Energy: 0.6589023033197777
Energy: 0.6889914316144818
Energy: 0.6591165112964454
Energy: 0.6741450768184409
Energy: 0.6698432241030585
Energy: 0.6733635889805203
Energy: 0.6698432241025987
Energy: 0.6734322854756717
Energy: 0.6698432241025987
Energy: 0.8586744736910343
Energy: 0.7453231666787634
Energy: 0.8586744736910343
Energy: 0.7453231666787634
Energy: 0.8586744736910343
Energy: 0.7453231666787634
Energy: 0.810314405627519
Energy: 0.7239658668610686
Energy: 0.8103144056265992
Energy: 0.7239658668610686
Energy: 0.8103144056261391
Energy: 0.7239658668610686
Energy: 0.6927952397525973
Energy: 0.7199259171718629
Energy: 0.6756638314024902
Energy: 0.7199259171714031
Energy: 0.6758706511521962
Energy: 0.7199259171718629
Energy: 0.6894401346835793
Energy: 0.7036460655920416
Energy: 0.6894868087892378
Energy: 0.7036460655925013
Energy: 0.6894184337808208
Energy: 0.7036460655925013
Energy: 0.7592182267746167
Energy: 0.6341318909976803
Energy: 0.7592182267741567
Energy: 0.6344201841948329
Energy: 0.7592182267746167
Energy: 0.6338633437952185
Energy: 0.6455920796789574
Energy: 0.7320245377867262
Energy: 0.6455920796784974
Energy: 0.7320245377858062
Energy: 0.6455920796784974
Energy: 0.7320245377862662
Energy: 0.6653311096654028
Energy: 0.7260374269977535
Energy: 0.6654569635008138
Energy: 0.7260374269977535
Energy: 0.6651586810270881
Energy: 0.7260374269977535
Energy: 0.7122017519854235
Energy: 0.7204631606152662
Energy: 0.7122017519854235
Energy: 0.7204631606152662
Energy: 0.7122017519854235
Energy: 0.720463160615726
Energy: 0.7594214747229724
Energy: 0.7556076904764224
Energy: 0.7594214747229724
Energy: 0.7556076904759623
Energy: 0.7594214747220526
Energy: 0.7556076904759623
Energy: 0.7171830473254355
Energy: 0.6720198192508519
Energy: 0.6157608656058268
Energy: 0.6720198192508519
Energy: 0.6157650943663504
Energy: 0.6720198192513118
Energy: 0.6961073254685657
Energy: 0.6580853517529285
Energy: 0.6963255568660592
Energy: 0.6580853517533883
Energy: 0.6963847315346842
Energy: 0.6580853517529285
Energy: 0.7121383430532244
Energy: 0.661137579462767
Energy: 0.7121383430532244
Energy: 0.6611461935895606
Energy: 0.7121383430536844
Energy: 0.6586777033244935
Energy: 0.7745374206927853
Energy: 0.7902092339238178
Energy: 0.7745374206932454
Energy: 0.7902092339238178
Energy: 0.7745374206927853
Energy: 0.7902092339233578
Energy: 0.6859882593583206
Energy: 0.7248781381278707
Energy: 0.6859556573333664
Energy: 0.7248781381278707
Energy: 0.6860080044625024
Energy: 0.7248781381278707

minimum gb energy = 0.6157608656058268 eV
minimum distance =  2.64745396129486 Angstroms
sigma value = 57


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

Energy: 0.8412045520298604
Energy: 0.7198241329678097
Energy: 0.8412045520298604
Energy: 0.7198241329672141
Energy: 0.8412045520304559
Energy: 0.7198241329678097
Energy: 0.7284017467566111
Energy: 0.63723450565312
Energy: 0.7284017467572066
Energy: 0.637234505651929
Energy: 0.7284017467572066
Energy: 0.63723450565312
Energy: 0.773846749832097
Energy: 0.8335885944896286
Energy: 0.7738467497380581
Energy: 0.8335885944890332
Energy: 0.7738467495648416
Energy: 0.8335885944884378
Energy: 0.7343819300699386
Energy: 0.6270100923476463
Energy: 0.7343819300717251
Energy: 0.6271829932377
Energy: 0.7343819300705343
Energy: 0.6268465827660009
Energy: 0.7106323665811018
Energy: 0.6269334214337073
Energy: 0.7106323665811018
Energy: 0.6266285368526592
Energy: 0.7106323665805062
Energy: 0.6265057997251795
Energy: 0.6240846559764257
Energy: 0.8420276377305763
Energy: 0.6245332795462006
Energy: 0.6648212973462863
Energy: 0.6242787365595529
Energy: 0.8420276377311721
Energy: 0.7485469488382612
Energy: 0.8584620547606246
Energy: 0.7485469488382612
Energy: 0.8584620547600292
Energy: 0.7485469488382612
Energy: 0.8584620547606246
Energy: 0.7348513180126443
Energy: 0.7253966056533351
Energy: 0.7348513180126443
Energy: 0.7253966056533351
Energy: 0.7348513180120488
Energy: 0.7253966056527394
Energy: 0.7253092352835743
Energy: 0.6351668478512763
Energy: 0.7253092352841697
Energy: 0.6351668478488942
Energy: 0.7253092352835743
Energy: 0.6351668478518719
Energy: 0.5893935600853254
Energy: 0.6864186307688237
Energy: 0.5893935600841342
Energy: 0.6864186307688237
Energy: 0.5893935600853254
Energy: 0.6864186307694192
Energy: 0.7482665516509841
Energy: 0.6274362001561841
Energy: 0.7482665516503884
Energy: 0.6272229728065396
Energy: 0.7482665516503884
Energy: 0.6267492186491578
Energy: 0.6982369738546921
Energy: 0.6340763967076357
Energy: 0.6982369738523101
Energy: 0.6348374173997845
Energy: 0.6982369738546921
Energy: 0.6283466054612036
Energy: 0.5912227890275481
Energy: 0.6355509045152777
Energy: 0.5797672284105437
Energy: 0.6355509045158733
Energy: 0.5632433222646049
Energy: 0.6355509045158733
Energy: 0.7509515586731611
Energy: 0.6352209336256982
Energy: 0.75095155871723
Energy: 0.6352209336286758
Energy: 0.750951558718421
Energy: 0.6352209336227205
Energy: 0.6659945854704918
Energy: 0.6348737901897472
Energy: 0.6659945854698964
Energy: 0.6348737901897472
Energy: 0.6659945854698964
Energy: 0.6348737901903428
Energy: 0.7084289466836663
Energy: 0.753577424421334
Energy: 0.7084289466819068
Energy: 0.7535774244219295
Energy: 0.7084289466836663
Energy: 0.7535774244207385
Energy: 0.5902161753050033
Energy: 0.7289149522464116
Energy: 0.5902161753038122
Energy: 0.7289149522452204
Energy: 0.5902161753044077
Energy: 0.7289149522464116
Energy: 0.7473996453308306
Energy: 0.5632679624118953
Energy: 0.7473996453314261
Energy: 0.5633717467922565
Energy: 0.7473996453314261
Energy: 0.5638727493938768
Energy: 0.5902401830904156
Energy: 0.7289009672330167
Energy: 0.5902401830892244
Energy: 0.728900967232421
Energy: 0.5902401830892244
Energy: 0.728900967232421
Energy: 0.708829907346229
Energy: 0.7531304689652428
Energy: 0.7088299073486111
Energy: 0.7531304689658382
Energy: 0.708829907346229
Energy: 0.753130468966434
Energy: 0.6650000521593645
Energy: 0.6348261493250157
Energy: 0.665000052157578
Energy: 0.6348261493256113
Energy: 0.665000052157578
Energy: 0.6348261493262068
Energy: 0.6576207635478515
Energy: 0.6942301312235408
Energy: 0.65762075434988
Energy: 0.6942301312235408
Energy: 0.6576207594732936
Energy: 0.6942301312235408
Energy: 0.5794366523928703
Energy: 0.63507225769194
Energy: 0.5795066663419077
Energy: 0.6350722576949175
Energy: 0.5795009424867816
Energy: 0.6350722576937265
Energy: 0.6975760822758323
Energy: 0.6305483436991608
Energy: 0.6975760822746413
Energy: 0.6306830503814312
Energy: 0.6975760822770234
Energy: 0.6283361029796423

minimum gb energy = 0.5632433222646049 eV
minimum distance =  2.67130587168333 Angstroms
sigma value = 17


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

Energy: 0.6662259027817444
Energy: 0.7252050157007206
Energy: 0.666225902783429
Energy: 0.7252050157007206
Energy: 0.6662259027809023
Energy: 0.7252050157007206
Energy: 0.6393773186151139
Energy: 0.6318625243384874
Energy: 0.6393773186151139
Energy: 0.6318625243376453
Energy: 0.6393773186151139
Energy: 0.6318625243384874
Energy: 0.7146171775375953
Energy: 0.7651934788961979
Energy: 0.7146171775367531
Energy: 0.7651934788961979
Energy: 0.7146171775367531
Energy: 0.7651934788961979
Energy: 0.5753087789972297
Energy: 0.626035774972676
Energy: 0.5753087789972297
Energy: 0.6263857068237979
Energy: 0.5753087789972297
Energy: 0.6261775527522141
Energy: 0.5983068503228831
Energy: 0.6316284125188284
Energy: 0.5997835273729004
Energy: 0.6317806071201479
Energy: 0.5999277437799088
Energy: 0.6317075002539688
Energy: 0.5717881871852399
Energy: 0.7596311582110115
Energy: 0.5717666471939061
Energy: 0.7596311582110115
Energy: 0.572091954486216
Energy: 0.7596311582110115
Energy: 0.7176769030706329
Energy: 0.6554978013133618
Energy: 0.7176769030714751
Energy: 0.6554978013133618
Energy: 0.7176769030714751
Energy: 0.6554978013133618
Energy: 0.5622101428474265
Energy: 0.6984628395865491
Energy: 0.5622101428465843
Energy: 0.6984628395848645
Energy: 0.5622101428465843
Energy: 0.6984628395840224
Energy: 0.5553631889916171
Energy: 0.6318670413389652
Energy: 0.5414087742723965
Energy: 0.631867041338123
Energy: 0.555648053356463
Energy: 0.6318670413389652
Energy: 0.6775681788662491
Energy: 0.6888351586306697
Energy: 0.6775681788662491
Energy: 0.6888351586306697
Energy: 0.6775681788662491
Energy: 0.6888351586306697
Energy: 0.6662579307392772
Energy: 0.6863164956843327
Energy: 0.6662579307392772
Energy: 0.6863164956843327
Energy: 0.6662579307392772
Energy: 0.6863164956843327
Energy: 0.6497153919807722
Energy: 0.6304381994803087
Energy: 0.6497153919184686
Energy: 0.6304381994803087
Energy: 0.6497153916162527
Energy: 0.6304381994811508
Energy: 0.5623045318198854
Energy: 0.7576021858688601
Energy: 0.5623045318173588
Energy: 0.7576021858688601
Energy: 0.5623045318198854
Energy: 0.7576021858688601
Energy: 0.681615040166592
Energy: 0.5210633483081106
Energy: 0.681615040166592
Energy: 0.5209101379289628
Energy: 0.681615040166592
Energy: 0.5209230999643666
Energy: 0.5754897763724552
Energy: 0.7129138564051798
Energy: 0.5764405837519295
Energy: 0.7129138564051798
Energy: 0.5774458609556007
Energy: 0.7129138564051798
Energy: 0.5641932011896692
Energy: 0.69632546023117
Energy: 0.5647475784898423
Energy: 0.69632546023117
Energy: 0.5650863379363722
Energy: 0.69632546023117
Energy: 0.6770426001199085
Energy: 0.718179571007314
Energy: 0.6770426001199085
Energy: 0.7181795710089984
Energy: 0.6770426001199085
Energy: 0.7181795710064718

minimum gb energy = 0.5209101379289628 eV
minimum distance =  2.58520752540804 Angstroms
sigma value = 17


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

Energy: 0.6030219943884811
Energy: 0.6355973727543817
Energy: 0.6030219943865297
Energy: 0.6355973727540565
Energy: 0.6030219943878307
Energy: 0.6355973727543817
Energy: 0.6055696744591845
Energy: 0.6446604970911067
Energy: 0.6055696744591845
Energy: 0.644660497091432
Energy: 0.6055696744588593
Energy: 0.6446604970882094
Energy: 0.6449185220194726
Energy: 0.6705158322840262
Energy: 0.6449159652419603
Energy: 0.6705158322843515
Energy: 0.6449100932584404
Energy: 0.6705158322846767
Energy: 0.5508984161688986
Energy: 0.6943314307616875
Energy: 0.5508984161711752
Energy: 0.6943314307681624
Energy: 0.5508984161682481
Energy: 0.6943314306956958
Energy: 0.6129519470659908
Energy: 0.6105034301801573
Energy: 0.6129519470770485
Energy: 0.6105034301804826
Energy: 0.612951947062088
Energy: 0.6105034301804826
Energy: 0.6535251107832367
Energy: 0.6138615788566094
Energy: 0.6535251112039038
Energy: 0.6138615788566094
Energy: 0.6535251115471667
Energy: 0.6138615788566094
Energy: 0.6062208678104646
Energy: 0.6606253001236244
Energy: 0.6062208678104646
Energy: 0.6606253001239497
Energy: 0.6062208678101394
Energy: 0.6606253001180955
Energy: 0.6646191494836104
Energy: 0.6509636826817032
Energy: 0.6646189698491317
Energy: 0.6509636826771501
Energy: 0.664617459977261
Energy: 0.6509636826908096
Energy: 0.672853106746884
Energy: 0.6411898624813618
Energy: 0.6728531067475345
Energy: 0.6411898624862107
Energy: 0.6728531067488354
Energy: 0.6411898624842594
Energy: 0.6008574358527778
Energy: 0.59523279928674
Energy: 0.6008574358527778
Energy: 0.59523279928674
Energy: 0.6008574358524527
Energy: 0.59523279928674
Energy: 0.5505295185048543
Energy: 0.5873804942925878
Energy: 0.5505295185038787
Energy: 0.5874573691554248
Energy: 0.5505295185042038
Energy: 0.5874192553799097
Energy: 0.7269448069040985
Energy: 0.5934169209360209
Energy: 0.7269448069060499
Energy: 0.5934169209353705
Energy: 0.7269448069044238
Energy: 0.5934169209353705
Energy: 0.6513864092297029
Energy: 0.6017616890389338
Energy: 0.6513864092306787
Energy: 0.6017616890337302
Energy: 0.6513864092290524
Energy: 0.6017616890347058
Energy: 0.6045952812772883
Energy: 0.6406901997816269
Energy: 0.6045952812743612
Energy: 0.6406901997813016
Energy: 0.6045952812753369
Energy: 0.6406901997790252
Energy: 0.6105879729354673
Energy: 0.5930703431815892
Energy: 0.6105879709914933
Energy: 0.5930703431812641
Energy: 0.6105879578522702
Energy: 0.5930703431819144
Energy: 0.6042076404151904
Energy: 0.6450577213998503
Energy: 0.6042076404151904
Energy: 0.6450577213998503
Energy: 0.6042076404177922
Energy: 0.6450577213998503
Energy: 0.6516948332844819
Energy: 0.6948593587525919
Energy: 0.6516948332864332
Energy: 0.6948593587525919
Energy: 0.6516948332851323
Energy: 0.6948593587525919
Energy: 0.6972302032815858
Energy: 0.6658288936009378
Energy: 0.6972302297504974
Energy: 0.6658288935989864
Energy: 0.6972301746394741
Energy: 0.6658288936006126
Energy: 0.67806330190079
Energy: 0.6479763730538395
Energy: 0.6780633019001395
Energy: 0.6479763730518882
Energy: 0.6780633018930141
Energy: 0.6479763730531891
Energy: 0.6516307486165815
Energy: 0.6694903874118693
Energy: 0.6516307486195085
Energy: 0.6694903874125198
Energy: 0.6516307486188582
Energy: 0.6874528014573301
Energy: 0.6779015215496573
Energy: 0.6551745047250193
Energy: 0.6779015215346968
Energy: 0.6551745047214417
Energy: 0.6779015215294931
Energy: 0.6551745047243688
Energy: 0.697227375510481
Energy: 0.6659282744119812
Energy: 0.6972273857688088
Energy: 0.6659282744123065
Energy: 0.697227337876921
Energy: 0.665928274411656
Energy: 0.6518443967743305
Energy: 0.694779676785206
Energy: 0.651844396774981
Energy: 0.6947796767855312
Energy: 0.6518443967753061
Energy: 0.6947796767845555
Energy: 0.6041284246063495
Energy: 0.6591503547914636
Energy: 0.6041284246086261
Energy: 0.659150354827564
Energy: 0.6041284246079757
Energy: 0.6591503548025215
Energy: 0.6106050406592921
Energy: 0.5929374547186543
Energy: 0.6106050382354893
Energy: 0.5929374547183291
Energy: 0.6106050294159681
Energy: 0.5929374547186543
Energy: 0.6043885308558703
Energy: 0.6405849350500294
Energy: 0.604388530855545
Energy: 0.6405849350484032
Energy: 0.6043885308565208
Energy: 0.6405849350519807
Energy: 0.6512647332446139
Energy: 0.6019268696235394
Energy: 0.6512647332455895
Energy: 0.6019268696186609
Energy: 0.6512647332446139
Energy: 0.6019268696228889
Energy: 0.7267821193804017
Energy: 0.5930494057931592
Energy: 0.7267821193781251
Energy: 0.5930494057931592
Energy: 0.7267821193813775
Energy: 0.593049405792834
Energy: 0.5506948241674875
Energy: 0.5842476954875958
Energy: 0.5506948241665118
Energy: 0.5843925952077966
Energy: 0.550694824166837
Energy: 0.5839871706857794
Energy: 0.6007331843169474
Energy: 0.6785258923329677
Energy: 0.6007331843159717
Energy: 0.6785258923326425
Energy: 0.6007331843169474
Energy: 0.678525892333293
Energy: 0.672864698555202
Energy: 0.66343931281605
Energy: 0.6728646985561777
Energy: 0.6634393128173507
Energy: 0.6728646985555272
Energy: 0.66343931281605
Energy: 0.664730608912048
Energy: 0.6510127465035606
Energy: 0.6647303778582042
Energy: 0.651012746499983
Energy: 0.6647288160270017
Energy: 0.651012746495755
Energy: 0.6062881614342122
Energy: 0.6609789515159333
Energy: 0.6062881614355131
Energy: 0.6609789515198361
Energy: 0.6062881614361634
Energy: 0.6609789515221127
Energy: 0.6535457869039454
Energy: 0.5994873701607798
Energy: 0.6535457866767
Energy: 0.5994873701581779
Energy: 0.6535457865346348
Energy: 0.5994873701591537
Energy: 0.6130172918225948
Energy: 0.610454539493372
Energy: 0.61301729182292
Energy: 0.6104545394940225
Energy: 0.6130172918209686
Energy: 0.6104545394940225
Energy: 0.550912321838919
Energy: 0.6872177735844545
Energy: 0.5509123218379434
Energy: 0.6872177735857553
Energy: 0.55091232184022
Energy: 0.6872177735925555
Energy: 0.6450657604172743
Energy: 0.6705317534954135
Energy: 0.645064185945186
Energy: 0.6705317534947631
Energy: 0.6450583475122008
Energy: 0.6705317534954135
Energy: 0.6057133913723795
Energy: 0.6226979774268784
Energy: 0.6057133913727047
Energy: 0.6226979774265531
Energy: 0.6057133913733551
Energy: 0.6226979774268784
Energy: 0.6030219943823018
Energy: 0.6355973727511294
Energy: 0.6030219943826269
Energy: 0.6355973727508042
Energy: 0.6030219943832774
Energy: 0.6355973727508042
Energy: 0.6055696744578837
Energy: 0.6113329143078511
Energy: 0.6055696744582089
Energy: 0.6113329143078511
Energy: 0.6055696744572333
Energy: 0.6113329143078511
Energy: 0.6449184127170811
Energy: 0.670515832283701
Energy: 0.6449157744971166
Energy: 0.670515832283701
Energy: 0.6449095839746907
Energy: 0.6705158322824002
Energy: 0.5508984161741022
Energy: 0.7007230287809803
Energy: 0.5508984161734517
Energy: 0.7007230287432834
Energy: 0.5508984161728012
Energy: 0.7007230285976406
Energy: 0.6129519470750971
Energy: 0.6105034301834096
Energy: 0.6129519470750971
Energy: 0.6105034301834096
Energy: 0.6129519470672917
Energy: 0.6105034301834096

minimum gb energy = 0.5505295185038787 eV
minimum distance =  2.61346815975014 Angstroms
sigma value = 57


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

Energy: 0.5984537781128071
Energy: 0.5835409291456283
Energy: 0.598453778111748
Energy: 0.5835409291456283
Energy: 0.5984537781122776
Energy: 0.5835409291450988
Energy: 0.5771847578294091
Energy: 0.5737455868847166
Energy: 0.5771847578309979
Energy: 0.573745586885246
Energy: 0.5771847578299388
Energy: 0.5737455868847166
Energy: 0.6093594753578769
Energy: 0.6190837096840635
Energy: 0.6093594744887437
Energy: 0.6190837096835338
Energy: 0.6093594726054535
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Energy: 0.5870881025789867
Energy: 0.6455309884306087
Energy: 0.5870881025800458
Energy: 0.6455309884316678
Energy: 0.58708810258214
Energy: 0.6455309884327269
Energy: 0.575038225411495
Energy: 0.5429431629543204
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Energy: 0.5429431629543204
Energy: 0.5750382254236747
Energy: 0.5429431629537909
Energy: 0.61145202876731
Energy: 0.5763380711083526
Energy: 0.611452028763603
Energy: 0.5763380711088821
Energy: 0.6114520287662509
Energy: 0.5763380711083526
Energy: 0.5494774266076958
Energy: 0.6269599581118891
Energy: 0.5494774266076958
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Energy: 0.5494774266061071
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Energy: 0.5917997124081601
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Energy: 0.5917997124097488
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Energy: 0.5914511018963249
Energy: 0.575008397367797
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Energy: 0.5914511018963249
Energy: 0.5750083973672674
Energy: 0.5855309618275246
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Energy: 0.5855309618259359
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Energy: 0.5490795095907857
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Energy: 0.5621017078985615
Energy: 0.6121707886267228
Energy: 0.652575018040861
Energy: 0.590118734419707
Energy: 0.6525750180403315
Energy: 0.5901187344191775
Energy: 0.6525750180398019
Energy: 0.590118734419707
Energy: 0.5818232519662253
Energy: 0.5754902454976956
Energy: 0.5818232519667548
Energy: 0.5754902454976956
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Energy: 0.5754902454982251
Energy: 0.6037340086079204
Energy: 0.6428947426882247
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Energy: 0.6428947426882247
Energy: 0.6037340086074149
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Energy: 0.5269842965614213
Energy: 0.6102096971659907
Energy: 0.5271826665591484
Energy: 0.6102096971665203
Energy: 0.5260276146078192
Energy: 0.6102096971659907
Energy: 0.5692580268319946
Energy: 0.6050722553750194
Energy: 0.5692580268309354
Energy: 0.6050722553734549
Energy: 0.5692580268309354
Energy: 0.6050722553760784
Energy: 0.5618888945200573
Energy: 0.6404555542213742
Energy: 0.5618888945211165
Energy: 0.6404555542213742
Energy: 0.5618888945205868
Energy: 0.6404555542208448
Energy: 0.598025377264639
Energy: 0.6108882834045741
Energy: 0.5980253772582845
Energy: 0.6108882834082809
Energy: 0.5980253772222752
Energy: 0.6108882834072219
Energy: 0.5493513671260245
Energy: 0.6056226788323357
Energy: 0.5493513671260245
Energy: 0.6056226788328652
Energy: 0.5493513671265541
Energy: 0.6056226788339243
Energy: 0.6058204746944639
Energy: 0.6165149249177762
Energy: 0.6058204746939343
Energy: 0.6165149249172466
Energy: 0.6058204746944639
Energy: 0.6165149249177762
Energy: 0.6151451442625023
Energy: 0.6053836170156388
Energy: 0.6151451442609137
Energy: 0.6053836170156388
Energy: 0.6151451442603841
Energy: 0.6053836170172275
Energy: 0.6066750555025096
Energy: 0.7162123959583339
Energy: 0.60667504542174
Energy: 0.7162123959588632
Energy: 0.6066748348969644
Energy: 0.7162123959572747
Energy: 0.5807838325747334
Energy: 0.6157687977290086
Energy: 0.5807838325742039
Energy: 0.6157687977290086
Energy: 0.5807838325747334
Energy: 0.6157687977295381
Energy: 0.556199741630715
Energy: 0.6053115795844441
Energy: 0.5561997416323036
Energy: 0.6053115795860328
Energy: 0.556199741631774
Energy: 0.6053115795849737

minimum gb energy = 0.5260276146078192 eV
minimum distance =  2.59798702346478 Angstroms
sigma value = 43


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

Energy: 0.5468682069132098
Energy: 0.5109771846429795
Energy: 0.5468682069139816
Energy: 0.5109771846425938
Energy: 0.5468682069135957
Energy: 0.5109771846429795
Energy: 0.5055489283761359
Energy: 0.5116093589338657
Energy: 0.5055489283761359
Energy: 0.5116093589338657
Energy: 0.5055489283757499
Energy: 0.5116093589334801
Energy: 0.48932883812860206
Energy: 0.5507264356005112
Energy: 0.5245091201879005
Energy: 0.5507264356001252
Energy: 0.48932883811895633
Energy: 0.5507264356005112
Energy: 0.5202012261528655
Energy: 0.5400874540095345
Energy: 0.520201226154023
Energy: 0.540087454010692
Energy: 0.5202012261555664
Energy: 0.5400874540103063
Energy: 0.5058065273342133
Energy: 0.4793237037230338
Energy: 0.5058065273342133
Energy: 0.4793237037230338
Energy: 0.5058065273342133
Energy: 0.4793237037230338
Energy: 0.5319283502302149
Energy: 0.5058585920741514
Energy: 0.5319283502290574
Energy: 0.5058585920745373
Energy: 0.531928350229829
Energy: 0.5058585920745373
Energy: 0.5081983979058798
Energy: 0.5292803991510707
Energy: 0.5081983979043365
Energy: 0.5292803991510707
Energy: 0.508198397908563
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Energy: 0.5070315429560632
Energy: 0.4840418007577435
Energy: 0.507031542954134
Energy: 0.4840418007573577
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Energy: 0.4840418007565861
Energy: 0.5106626547686933
Energy: 0.49823456401106136
Energy: 0.5106626547675359
Energy: 0.49823456401106136
Energy: 0.5106626547690792
Energy: 0.49823456401144706
Energy: 0.5078217826723131
Energy: 0.5068949865723877
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Energy: 0.5068949865723877
Energy: 0.5078217826719272
Energy: 0.5068949865720019
Energy: 0.5549612104432609
Energy: 0.5469668892664112
Energy: 0.5549612104436468
Energy: 0.5469668892656396
Energy: 0.5549612104424893
Energy: 0.5469668892664112
Energy: 0.4873190086026729
Energy: 0.4998647386002831
Energy: 0.4873190086026729
Energy: 0.49986473860066893
Energy: 0.4873190086026729
Energy: 0.4998647386002831
Energy: 0.5080862805787857
Energy: 0.48629819062412394
Energy: 0.5080862805783999
Energy: 0.48629819062412394
Energy: 0.5080862805791715
Energy: 0.48629819062412394
Energy: 0.506150506410309
Energy: 0.5430208933830802
Energy: 0.5061505064114665
Energy: 0.5430208933838521
Energy: 0.5061505064122382
Energy: 0.5430208933846237
Energy: 0.504502973326262
Energy: 0.49233194043311507
Energy: 0.504502973326648
Energy: 0.4923319404327292
Energy: 0.5045029733258762
Energy: 0.49233194043350087
Energy: 0.5784625341090485
Energy: 0.5130552025240454
Energy: 0.5784625341090485
Energy: 0.5130552025244312
Energy: 0.5784625341086626
Energy: 0.5130552025221162
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Energy: 0.5380455982945999
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Energy: 0.5101807039519441
Energy: 0.5380455982957574
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Energy: 0.4920510906732495
Energy: 0.5187385127016081
Energy: 0.4920510906732495
Energy: 0.5187385127012222
Energy: 0.4920510906732495
Energy: 0.4825417816503383
Energy: 0.549574244810153
Energy: 0.4825417816495666
Energy: 0.549574244810153
Energy: 0.48254178164995243
Energy: 0.5495742448097671
Energy: 0.5071232260862351
Energy: 0.488138911654712
Energy: 0.5071232260858491
Energy: 0.48813891165702705
Energy: 0.5071232260854635
Energy: 0.488138911654712
Energy: 0.5491534318646184
Energy: 0.5106644381724589
Energy: 0.5491534318642325
Energy: 0.510664438172073
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Energy: 0.5106644381724589
Energy: 0.526898654253215
Energy: 0.5514424329025718
Energy: 0.526898654253215
Energy: 0.5514424329025718
Energy: 0.5268986542536008
Energy: 0.551442432902186
Energy: 0.5253090693711533
Energy: 0.5468234169574553
Energy: 0.5253090693707675
Energy: 0.5468234169574553
Energy: 0.5253090693715392
Energy: 0.5468234169570696
Energy: 0.5243972301747598
Energy: 0.5104047911562763
Energy: 0.5243972301751457
Energy: 0.5104047911558907
Energy: 0.5243972301751457
Energy: 0.5104047911558907
Energy: 0.4820992513024498
Energy: 0.48338211106976875
Energy: 0.4820992513036072
Energy: 0.4833821110701546
Energy: 0.4820992513028356
Energy: 0.4833821110705404
Energy: 0.4937138121565249
Energy: 0.5368818900895277
Energy: 0.49371381215575316
Energy: 0.5368818900895277
Energy: 0.493713812156139
Energy: 0.5368818900895277
Energy: 0.5451400530664701
Energy: 0.49172862101586917
Energy: 0.5299769936693857
Energy: 0.49172862101586917
Energy: 0.5299769936705432
Energy: 0.49172862101586917
Energy: 0.45775269809168
Energy: 0.4845553344482831
Energy: 0.4577526980912942
Energy: 0.48455533445021226
Energy: 0.4577526980912942
Energy: 0.48455533444982646
Energy: 0.4935509112131374
Energy: 0.5105631643112191
Energy: 0.4935509112127515
Energy: 0.5105631643112191
Energy: 0.4935509112127515
Energy: 0.510563164311605
Energy: 0.5015784736332128
Energy: 0.4831431462205278
Energy: 0.5015784736335986
Energy: 0.48314314622091364
Energy: 0.5015784736339844
Energy: 0.4831431462205278
Energy: 0.5486133334500044
Energy: 0.48488141957788194
Energy: 0.5486133334523196
Energy: 0.48488141957749614
Energy: 0.4848321369209727
Energy: 0.48488141957672454
Energy: 0.49387232477425086
Energy: 0.49412264991324867
Energy: 0.493872324773865
Energy: 0.49412264991286287
Energy: 0.493872324773865
Energy: 0.49412264991286287
Energy: 0.4851384500744004
Energy: 0.4833872319381314
Energy: 0.4851384500747862
Energy: 0.4833872319381314
Energy: 0.48513845007517203
Energy: 0.4833872319381314
Energy: 0.6017090840775177
Energy: 0.5454905656915011
Energy: 0.6017090840767461
Energy: 0.5454905656915011
Energy: 0.6017090840771319
Energy: 0.5454905656918869
Energy: 0.5122760695685658
Energy: 0.4790582078342317
Energy: 0.5122760695689517
Energy: 0.47905820783461756
Energy: 0.5122760695685658
Energy: 0.47905820783461756
Energy: 0.44545462924765133
Energy: 0.4841609539019505
Energy: 0.4454546292480372
Energy: 0.4841609539023364
Energy: 0.4454546292480372
Energy: 0.4841609539019505

minimum gb energy = 0.44545462924765133 eV
minimum distance =  2.57046451666732 Angstroms
sigma value = 81


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

Energy: 0.37983734193428964
Energy: 0.40720689038951186
Energy: 0.011127561349126245
Energy: 0.40720689038909297
Energy: 0.37983734193428964
Energy: 0.40720689039051067
Energy: 0.7976820255315236
Energy: 0.012014992766072907
Energy: 0.7976820255313786
Energy: 0.012014992766346768
Energy: 0.7976820255316525
Energy: 0.012014992766201783
Energy: 0.38287363410166925
Energy: 0.01147542389797562
Energy: 0.38287363410154035
Energy: 0.011475423897556774
Energy: 0.382873634102523
Energy: 0.011475423898120606
Energy: 0.011127561348417428
Energy: 0.4072068903903657
Energy: 0.01112756134885238
Energy: 0.4072068903903657
Energy: 0.011127561348707397
Energy: 0.40720689038951186
Energy: 0.7976820255319425
Energy: 0.012014992751606597
Energy: 0.7976820255322162
Energy: 0.012014992750188962
Energy: 0.7976820255317975
Energy: 0.012014992753733045
Energy: 0.3828736341021042
Energy: 0.011475423897830635
Energy: 0.3828736341019592
Energy: 0.011475423898120606
Energy: 0.38287363410323194
Energy: 0.011475423897830635
Energy: 0.37983734193416085
Energy: 0.40720689038951186
Energy: 0.011127561348981256
Energy: 0.4072068903889481
Energy: 0.37983734193428964
Energy: 0.4072068903889481
Energy: 0.7976820255317975
Energy: 0.012014992721707404
Energy: 0.7976820255315236
Energy: 0.012014992723125038
Energy: 0.7976820255319425
Energy: 0.012014992723415009
Energy: 0.3828736341023781
Energy: 0.011475423898539453
Energy: 0.38287363410323194
Energy: 0.011475423898684436
Energy: 0.38287363410224917
Energy: 0.01147542389797562
Energy: 0.011127561348707397
Energy: 0.40720689038965685
Energy: 0.011127561348981256
Energy: 0.4072068903899307
Energy: 0.01112756134885238
Energy: 0.4072068903892219

minimum gb energy = 0.011127561348417428 eV
minimum distance =  2.74572699058343 Angstroms
sigma value = 3


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

Energy: 0.4021190552062784
Energy: 0.4341455512517315
Energy: 0.4021190552067026
Energy: 0.4341455512517315
Energy: 0.4021190552062784
Energy: 0.4341455512517315
Energy: 0.34682128260732537
Energy: 0.3794233647387725
Energy: 0.3468212826098708
Energy: 0.3794233647391967
Energy: 0.34682128260817385
Energy: 0.3794233647391967
Energy: 0.40986760439292047
Energy: 0.3807397726689132
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Energy: 0.3778339824190297
Energy: 0.4012588037038101
Energy: 0.37783398241860544
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Energy: 0.4012588037080525
Energy: 0.36601089502720374
Energy: 0.37865967275171813
Energy: 0.36601089502720374
Energy: 0.378659672755112
Energy: 0.3660108950267796
Energy: 0.3786596727538394
Energy: 0.41105042910991346
Energy: 0.38980496069145204
Energy: 0.4110504291103378
Energy: 0.3898049606910277
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Energy: 0.38867346827331606
Energy: 0.4021523040330286
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Energy: 0.402152304035574
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Energy: 0.4021523040326044
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Energy: 0.37792922228272446
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Energy: 0.41878406463245965
Energy: 0.3965980393720623
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Energy: 0.41878406463245965
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Energy: 0.38899061152109926
Energy: 0.39920182242838764
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Energy: 0.3992018224279634
Energy: 0.388990611520675
Energy: 0.39920182242881186
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Energy: 0.3775944184894897
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Energy: 0.42702805017457085
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Energy: 0.36872330886137505
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Energy: 0.3790982837382922
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Energy: 0.4565900532527191
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Energy: 0.3850134229100684
Energy: 0.39178711347662665
Energy: 0.41629385852989953
Energy: 0.3917871134770509
Energy: 0.416293858530748
Energy: 0.39178711347662665
Energy: 0.4162938585303238

minimum gb energy = 0.29108963681114447 eV
minimum distance =  2.64463894939085 Angstroms
sigma value = 67


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

Energy: 0.5257830569751197
Energy: 0.5181300033403741
Energy: 0.5257830569751197
Energy: 0.5181300033409786
Energy: 0.5257830569739107
Energy: 0.5181300033409786
Energy: 0.5142762874703446
Energy: 0.5174483247151467
Energy: 0.5142762874691357
Energy: 0.5174483247157511
Energy: 0.5142762874691357
Energy: 0.5174483247157511
Energy: 0.6131610463417936
Energy: 0.5166369299950982
Energy: 0.5423426323561973
Energy: 0.5166369299950982
Energy: 0.5423426323549883
Energy: 0.5166369299944937
Energy: 0.5193957018209965
Energy: 0.554285581949661
Energy: 0.5193957018203921
Energy: 0.5542855819502656
Energy: 0.5193957018197877
Energy: 0.5542855819484521
Energy: 0.5179878658925201
Energy: 0.5169036490041631
Energy: 0.5179878658925201
Energy: 0.516903649002954
Energy: 0.5179878658925201
Energy: 0.5169036490041631
Energy: 0.5465194734317139
Energy: 0.5158195306365438
Energy: 0.5465194734323183
Energy: 0.5158195306365438
Energy: 0.5465194734311094
Energy: 0.5158195306359392
Energy: 0.5166058945447123
Energy: 0.5411304571371371
Energy: 0.5166058945459211
Energy: 0.5411304571353236
Energy: 0.5166058945453166
Energy: 0.5411304571353236
Energy: 0.5413287741504454
Energy: 0.5191656502155734
Energy: 0.5413287741516545
Energy: 0.5191656502155734
Energy: 0.5413287741498409
Energy: 0.5191656502155734
Energy: 0.5598377367992946
Energy: 0.5620823657527861
Energy: 0.5598377367992946
Energy: 0.5620823657533905
Energy: 0.5598377367986901
Energy: 0.5620823657527861
Energy: 0.5141171179821474
Energy: 0.512222674405169
Energy: 0.514117117980334
Energy: 0.5122226744057736
Energy: 0.514117117981543
Energy: 0.5122226744057736
Energy: 0.5425344985058845
Energy: 0.5195332489743183
Energy: 0.5425344985058845
Energy: 0.5195332489743183
Energy: 0.5425344985064889
Energy: 0.5195332489749227
Energy: 0.5140269801013965
Energy: 0.5351608538912551
Energy: 0.5140269801013965
Energy: 0.5351608538906507
Energy: 0.5140269801013965
Energy: 0.5351608538906507
Energy: 0.5135437712904571
Energy: 0.5147277513563048
Energy: 0.5135437712910615
Energy: 0.5147277513557004
Energy: 0.5135437712910615
Energy: 0.5147277513557004
Energy: 0.5342077136408045
Energy: 0.5063953900864951
Energy: 0.5342077136408045
Energy: 0.5063953900864951
Energy: 0.5342077136420136
Energy: 0.5063953900870997
Energy: 0.510251710611097
Energy: 0.51357075168002
Energy: 0.5102517106104925
Energy: 0.5135707516806245
Energy: 0.5102517106117014
Energy: 0.5135707516806245
Energy: 0.5196678910858303
Energy: 0.5215338464891167
Energy: 0.5196678910846214
Energy: 0.5215338464885122
Energy: 0.5196678910846214
Energy: 0.5215338464885122
Energy: 0.5584564947103925
Energy: 0.5191517530579676
Energy: 0.5584564947116014
Energy: 0.5191517530579676
Energy: 0.5584564947109969
Energy: 0.5191517530579676
Energy: 0.5094800496993784
Energy: 0.5108930965543166
Energy: 0.5094800496987739
Energy: 0.5108930965543166
Energy: 0.5094800496993784
Energy: 0.5108930965543166
Energy: 0.5163346897683351
Energy: 0.5435069499614475
Energy: 0.5163346897689396
Energy: 0.5435069499620521
Energy: 0.5163346897683351
Energy: 0.5435069499620521
Energy: 0.5100132880058469
Energy: 0.5172454274571633
Energy: 0.5100132880058469
Energy: 0.5172454274571633
Energy: 0.5100132880058469
Energy: 0.5172454274571633
Energy: 0.5340421182224073
Energy: 0.5197642243599582
Energy: 0.5340421182224073
Energy: 0.5197642243599582
Energy: 0.5340421182230117
Energy: 0.5197642243605626
Energy: 0.5196214150179704
Energy: 0.562979350593401
Energy: 0.5196214150179704
Energy: 0.562979350593401
Energy: 0.5196214150179704
Energy: 0.5629793505927964
Energy: 0.5198604579393906
Energy: 0.5166738735350701
Energy: 0.5198604579405997
Energy: 0.5166738735350701
Energy: 0.5198604579399951
Energy: 0.5166738735350701

minimum gb energy = 0.5063953900864951 eV
minimum distance =  2.66186690814712 Angstroms
sigma value = 33


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

Energy: 0.605518634211987
Energy: 0.6234527708186343
Energy: 0.6055186342104533
Energy: 0.6234527708178672
Energy: 0.6055186342116037
Energy: 0.6234527708182507
Energy: 0.602629429071163
Energy: 0.5879268369030103
Energy: 0.6026294290719298
Energy: 0.5879268369033938
Energy: 0.6026294290715464
Energy: 0.5879268369030103
Energy: 0.6198907887861219
Energy: 0.5978850161339055
Energy: 0.6198907887857384
Energy: 0.5978850161339055
Energy: 0.6198907887865054
Energy: 0.597885016134289
Energy: 0.5997917568186385
Energy: 0.6596794027358737
Energy: 0.5997917568194053
Energy: 0.6596794027358737
Energy: 0.599791756819022
Energy: 0.6596794027374075
Energy: 0.6234561774072095
Energy: 0.5872707436738939
Energy: 0.623456177406826
Energy: 0.5872707436738939
Energy: 0.6234561774072095
Energy: 0.5872707436738939
Energy: 0.6428660536603551
Energy: 0.6105691404268947
Energy: 0.642866053662656
Energy: 0.6693905250798363
Energy: 0.6428660536641898
Energy: 0.6368201038536007
Energy: 0.5989898116709772
Energy: 0.6392144065303932
Energy: 0.5989898116713607
Energy: 0.6392144065303932
Energy: 0.5989898116705937
Energy: 0.6392144065303932
Energy: 0.6496772081474175
Energy: 0.615032137800944
Energy: 0.6496772081466505
Energy: 0.615032137800944
Energy: 0.6496772081466505
Energy: 0.615032137800944
Energy: 0.6052916090635209
Energy: 0.632494033341761
Energy: 0.6052916090631375
Energy: 0.6324940333413775
Energy: 0.6052916090631375
Energy: 0.632494033340994
Energy: 0.590470739767193
Energy: 0.6247316729194483
Energy: 0.5904707397668094
Energy: 0.6510660179878286
Energy: 0.5904707397675765
Energy: 0.6165318971313489
Energy: 0.6393182382974191
Energy: 0.5870667540744695
Energy: 0.6393182382966522
Energy: 0.5870667540744695
Energy: 0.6393182382970356
Energy: 0.587066754074853
Energy: 0.6010508403064297
Energy: 0.6126583091048508
Energy: 0.6010508403060463
Energy: 0.6126583091048508
Energy: 0.6010508403064297
Energy: 0.6126583091044673
Energy: 0.5894455902374752
Energy: 0.6055653990413996
Energy: 0.5894455902374752
Energy: 0.6055653990413996
Energy: 0.5894455902378588
Energy: 0.6055653990417831
Energy: 0.6074710961853782
Energy: 0.5980718348290767
Energy: 0.6074710961853782
Energy: 0.5980718348290767
Energy: 0.6074710961853782
Energy: 0.5980718348290767
Energy: 0.5962434794108383
Energy: 0.6082822404308181
Energy: 0.596243479410455
Energy: 0.6082822404308181
Energy: 0.596243479410455
Energy: 0.6082822404304347
Energy: 0.5994109457183293
Energy: 0.6263038662863579
Energy: 0.5994109457171789
Energy: 0.6263038662859745
Energy: 0.5994109457171789
Energy: 0.6263038662871249
Energy: 0.6237566955947409
Energy: 0.597448712754227
Energy: 0.6237566955928235
Energy: 0.597448712754227
Energy: 0.6237566955943574
Energy: 0.597448712754227
Energy: 0.6246396716917352
Energy: 0.6555199856408555
Energy: 0.6246396716886674
Energy: 0.6555199856412388
Energy: 0.6246396716898178
Energy: 0.6555199856408555
Energy: 0.6007484566879928
Energy: 0.6379411081717484
Energy: 0.6007484566883763
Energy: 0.6379411081709816
Energy: 0.6007484566887596
Energy: 0.6379411081721319
Energy: 0.6474697039764338
Energy: 0.598723438355847
Energy: 0.6474697039772007
Energy: 0.5987234383569975
Energy: 0.6474697039768172
Energy: 0.5987234383573808
Energy: 0.5984925089857146
Energy: 0.6343296310315292
Energy: 0.5984925089868651
Energy: 0.6343296310315292
Energy: 0.5984925089860981
Energy: 0.6343296310315292
Energy: 0.5952366612342169
Energy: 0.6145388359582018
Energy: 0.5952366612349839
Energy: 0.6145388359585852
Energy: 0.5952366612346004
Energy: 0.6145388359582018
Energy: 0.6611255233463804
Energy: 0.5869519520325672
Energy: 0.6611255233448465
Energy: 0.5869519520325672
Energy: 0.66112552334523
Energy: 0.5869519520329506
Energy: 0.5900383497082394
Energy: 0.6090412106464567
Energy: 0.5900383497113072
Energy: 0.6090412106464567
Energy: 0.5900383497090065
Energy: 0.6090412106460907
Energy: 0.5992968367007917
Energy: 0.6096179817449631
Energy: 0.5992968367000246
Energy: 0.6096179817449631
Energy: 0.5992968367004082
Energy: 0.6096179817445795
Energy: 0.6403415933339914
Energy: 0.6052882222950599
Energy: 0.6403415933355253
Energy: 0.6052882222950599
Energy: 0.6403415933336081
Energy: 0.6052882222950599
Energy: 0.5988841326624308
Energy: 0.614530306462292
Energy: 0.5988841326624308
Energy: 0.6145303064619085
Energy: 0.5988841326620473
Energy: 0.614530306462292
Energy: 0.5949669543332645
Energy: 0.6525284683677566
Energy: 0.5949669543344149
Energy: 0.65252846836814
Energy: 0.5949669543332645
Energy: 0.6525284683646888
Energy: 0.6488857775247111
Energy: 0.5871068310787009
Energy: 0.6488857775250946
Energy: 0.5871068310775505
Energy: 0.6488857775247111
Energy: 0.5871068310787009
Energy: 0.5996203633862547
Energy: 0.6441702613280205
Energy: 0.5996203633858711
Energy: 0.6441702613280205
Energy: 0.5996203633862547
Energy: 0.6441702613272535
Energy: 0.650596442761883
Energy: 0.655775997613446
Energy: 0.6505964427607325
Energy: 0.655775997613446
Energy: 0.650596442761116
Energy: 0.6557759976142129
Energy: 0.6228840876305343
Energy: 0.5980470996387907
Energy: 0.6228840876301508
Energy: 0.5980470996387907
Energy: 0.6228840876309177
Energy: 0.598047099639174
Energy: 0.6010608768162838
Energy: 0.6261774786851798
Energy: 0.6010608768159003
Energy: 0.6261774786855634
Energy: 0.6010608768155168
Energy: 0.6261774786870973
Energy: 0.5985293180353735
Energy: 0.5902527841027582
Energy: 0.5985293180365239
Energy: 0.5902527841035252
Energy: 0.5985293180361404
Energy: 0.5902527841035252
Energy: 0.6088857926905747
Energy: 0.5978351827166587
Energy: 0.6088857926894244
Energy: 0.5978351827166587
Energy: 0.6088857926894244
Energy: 0.5978351827166587
Energy: 0.5917347587421926
Energy: 0.5983515209437826
Energy: 0.5917347587425761
Energy: 0.5983515209437826
Energy: 0.5917347587421926
Energy: 0.5983515209441661
Energy: 0.6037340293704015
Energy: 0.6041970644284399
Energy: 0.6037340293700181
Energy: 0.6041970644284399
Energy: 0.6037340293700181
Energy: 0.6041970644284399

minimum gb energy = 0.5869519520325672 eV
minimum distance =  2.61784616059571 Angstroms
sigma value = 41


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

Energy: 0.7495821811598761
Energy: 0.7473536032396126
Energy: 0.7495821811598761
Energy: 0.7473536032396126
Energy: 0.7495821811598761
Energy: 0.7473536032396126
Energy: 0.7664051230033646
Energy: 0.741075083433754
Energy: 0.7664051230033646
Energy: 0.741075083433754
Energy: 0.7664051230033646
Energy: 0.741075083433754
Energy: 0.8949956707457362
Energy: 0.7391601120192716
Energy: 0.8032045085655788
Energy: 0.7391601120203184
Energy: 0.8032045085666257
Energy: 0.7391601120192716
Energy: 0.733810367571776
Energy: 0.8049690520937026
Energy: 0.733810367571776
Energy: 0.8049690520937026
Energy: 0.733810367571776
Energy: 0.8049690520926557
Energy: 0.802697643538406
Energy: 0.7492482260092331
Energy: 0.8026976435394529
Energy: 0.7492482260092331
Energy: 0.8026976435394529
Energy: 0.7492482260092331
Energy: 0.8118742459854698
Energy: 0.8024810609149117
Energy: 0.8118742459844228
Energy: 0.8024810609149117
Energy: 0.8118742459854698
Energy: 0.8024810609149117
Energy: 0.7411089899842208
Energy: 0.7672676856117795
Energy: 0.7411089899842208
Energy: 0.7672676856107326
Energy: 0.7411089899842208
Energy: 0.7672676856117795
Energy: 0.769182419723037
Energy: 0.7414413908865838
Energy: 0.769182419723037
Energy: 0.7414413908865838
Energy: 0.769182419723037
Energy: 0.7414413908865838
Energy: 0.7728354494918654
Energy: 0.768726838804693
Energy: 0.7728354494918654
Energy: 0.768726838804693
Energy: 0.7728354494918654
Energy: 0.768726838804693
Energy: 0.7331898786064512
Energy: 0.7716940413148133
Energy: 0.7331898786064512
Energy: 0.7716940413148133
Energy: 0.7331898786054042
Energy: 0.7716940413148133
Energy: 0.7659209838406773
Energy: 0.7388605362129163
Energy: 0.7659209838406773
Energy: 0.7388605362118694
Energy: 0.7659209838406773
Energy: 0.7388605362129163
Energy: 0.7749176017036932
Energy: 0.740504220826688
Energy: 0.7749176017036932
Energy: 0.740504220826688
Energy: 0.7749176017036932
Energy: 0.740504220826688
Energy: 0.7540048749298615
Energy: 0.8045772576472947
Energy: 0.7540048749309083
Energy: 0.8045772576472947
Energy: 0.7540048749309083
Energy: 0.8045772576472947
Energy: 0.8026874092159355
Energy: 0.7412909535922629
Energy: 0.8026874092159355
Energy: 0.7412909535912159
Energy: 0.8026874092159355
Energy: 0.7412909535922629

minimum gb energy = 0.7331898786054042 eV
minimum distance =  2.62357080600746 Angstroms
sigma value = 11


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

Energy: 0.890708557813988
Energy: 0.9066706709612411
Energy: 0.890708557813988
Energy: 0.9066706709612411
Energy: 0.890708557813988
Energy: 0.9066706709612411
Energy: 0.8922753911478971
Energy: 0.864442910313624
Energy: 0.8922753911478971
Energy: 0.864442910314084
Energy: 0.8922753911478971
Energy: 0.864442910313624
Energy: 0.9421565353948561
Energy: 0.870645730313759
Energy: 0.9421565353962359
Energy: 0.870645730313759
Energy: 0.9672416125771303
Energy: 0.870645730313759
Energy: 0.867410925205162
Energy: 0.9262691610670559
Energy: 0.8674109252047023
Energy: 0.926269161067516
Energy: 0.8674109252102215
Energy: 0.926269161067955
Energy: 0.9373789048247343
Energy: 0.8795769636936819
Energy: 0.9373789048251941
Energy: 0.879576963693222
Energy: 0.937378904826574
Energy: 0.8795769636936819
Energy: 0.8677437888406943
Energy: 0.9127698692167155
Energy: 0.8677437888406943
Energy: 0.9127698692171753
Energy: 0.8677437888411541
Energy: 0.9127698692171753
Energy: 0.872202640659498
Energy: 0.9460403799495594
Energy: 0.872202640659498
Energy: 0.9460403799509393
Energy: 0.872202640659958
Energy: 0.9460403799532389
Energy: 0.9175418390634638
Energy: 0.8686370024932826
Energy: 0.9175418390643837
Energy: 0.8686370024914427
Energy: 0.9175418390634638
Energy: 0.8686370024914427
Energy: 0.9210604781062969
Energy: 0.8674297065584752
Energy: 0.9210604781067567
Energy: 0.8674297065584752
Energy: 0.9210604781067567
Energy: 0.8674297065589353
Energy: 0.8790113007954345
Energy: 0.9431793205198633
Energy: 0.8790113007954345
Energy: 0.9431793205194036
Energy: 0.8790113007954345
Energy: 0.9431793205180237
Energy: 0.9263522092218497
Energy: 0.884486026354477
Energy: 0.9263522092218497
Energy: 0.8844860263549369
Energy: 0.9263522092213897
Energy: 0.8844860263549369
Energy: 0.9069137051927534
Energy: 0.9070979831271982
Energy: 0.9069137051918336
Energy: 0.9070979831271982
Energy: 0.9069137051927534
Energy: 0.907097983127658
Energy: 0.8685575669920494
Energy: 0.9280048872039125
Energy: 0.8685575669920494
Energy: 0.9280048872039125
Energy: 0.8685575669920494
Energy: 0.9280048872039125
Energy: 0.9520831661254725
Energy: 0.865281379049608
Energy: 0.9520831661268525
Energy: 0.8652813790500681
Energy: 0.9520831661268525
Energy: 0.8652813790491483
Energy: 0.9104698264668175
Energy: 0.8837524008387478
Energy: 0.9234432415141602
Energy: 0.8837524008387478
Energy: 0.9212365451690976
Energy: 0.8837524008387478
Energy: 0.8862487666696619
Energy: 0.9223198431699041
Energy: 0.8862487666696619
Energy: 0.9223198431694442
Energy: 0.8862487666692019
Energy: 0.9223198431685242
Energy: 0.9275659513373976
Energy: 0.8752176765433494
Energy: 0.9275659513378575
Energy: 0.8752176765428893
Energy: 0.9275659513373976
Energy: 0.8752176765433494
Energy: 0.8999935993603891
Energy: 0.9080339747036194
Energy: 0.8999935993608491
Energy: 0.9080339747040794
Energy: 0.8999935993608491
Energy: 0.9080339747040794
Energy: 0.8752711570525453
Energy: 0.9064445950408994
Energy: 0.8752711570511654
Energy: 0.9064445950408994
Energy: 0.8752711570516255
Energy: 0.9064445950413593
Energy: 0.9215481599858037
Energy: 0.8849527517197708
Energy: 0.9215481599674061
Energy: 0.8849527517197708
Energy: 0.9215481599177534
Energy: 0.8849527517197708
Energy: 0.8768749763867952
Energy: 0.920548684939839
Energy: 0.8768749763858754
Energy: 0.920548684939839
Energy: 0.8768749763863353
Energy: 0.920548684939839
Energy: 0.867217747266258
Energy: 0.926398995962789
Energy: 0.867217747266258
Energy: 0.9263989959641687
Energy: 0.8672177472657983
Energy: 0.9263989959650886
Energy: 0.9392860791702502
Energy: 0.8714242432448571
Energy: 0.9392860791697903
Energy: 0.8714242432448571
Energy: 0.9392860791707103
Energy: 0.8714242432448571
Energy: 0.925542280965507
Energy: 0.8640453340008193
Energy: 0.925542280965047
Energy: 0.8640453340008193
Energy: 0.925542280965047
Energy: 0.8640453340003592
Energy: 0.8780274807685251
Energy: 0.9282152649431007
Energy: 0.8780274807680652
Energy: 0.928215264942641
Energy: 0.8780274807689852
Energy: 0.928215264942641
Energy: 0.9174294047085096
Energy: 0.8855662345178437
Energy: 0.9174294047062099
Energy: 0.8855662345183035
Energy: 0.9174294047094295
Energy: 0.8855662345178437
Energy: 0.8744660084611654
Energy: 0.9510393401528701
Energy: 0.8744660084616254
Energy: 0.9510393401533298
Energy: 0.8744660084616254
Energy: 0.9510393401528701
Energy: 0.8637934789955999
Energy: 0.9125979275034882
Energy: 0.8637934789955999
Energy: 0.9125979275034882
Energy: 0.8637934789960597
Energy: 0.9125979275034882
Energy: 0.92545017800331
Energy: 0.8805586964764129
Energy: 0.9254501780028501
Energy: 0.8805586964764129
Energy: 0.9254501780056098
Energy: 0.8805586964764129
Energy: 0.8967218880979397
Energy: 0.872454374201262
Energy: 0.8967218880983997
Energy: 0.872454374201722
Energy: 0.8967218880983997
Energy: 0.872454374201722
Energy: 0.8762979162869707
Energy: 0.9331624807296415
Energy: 0.876297916286511
Energy: 0.9331624807278016
Energy: 0.876297916286511
Energy: 0.9331624807278016

minimum gb energy = 0.8637934789955999 eV
minimum distance =  2.57251616690205 Angstroms
sigma value = 57


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

Energy: 0.9281852776158634
Energy: 1.0498791750646352
Energy: 0.9281852776158634
Energy: 1.0498791750646352
Energy: 0.9281852776158634
Energy: 1.0498791750638168
Energy: 0.9264901013260319
Energy: 1.0211828179158027
Energy: 0.9264901013252136
Energy: 1.0211828179158027
Energy: 0.9264901013252136
Energy: 1.0211828179141655
Energy: 1.0151747361689525
Energy: 0.944501034254959
Energy: 1.0151747361689525
Energy: 0.944501034254959
Energy: 1.0151747361705894
Energy: 0.944501034254959
Energy: 0.920439952467368
Energy: 1.0676226809056495
Energy: 0.9204399524681863
Energy: 1.045829072318307
Energy: 0.9204399524681863
Energy: 1.0031353932375058
Energy: 1.0151554075965685
Energy: 0.9445086857511451
Energy: 1.0151554075982054
Energy: 0.9445086857503265
Energy: 1.0151554075973872
Energy: 0.9445086857503265
Energy: 0.9264294119000639
Energy: 0.9383869936611816
Energy: 0.9264294119000639
Energy: 0.9383869936603632
Energy: 0.9264294119008822
Energy: 0.9383869936603632
Energy: 0.9281852776166818
Energy: 1.0498791750654537
Energy: 0.9281852776175004
Energy: 1.0498791750654537
Energy: 0.9281852776175004
Energy: 1.0498791750654537
Energy: 0.9264901013268505
Energy: 1.0211828179190765
Energy: 0.9264901013268505
Energy: 1.0211828179190765
Energy: 0.9264901013260319
Energy: 1.0211828179174396
Energy: 1.0151747361705894
Energy: 0.9445010342565959
Energy: 1.0151747361705894
Energy: 0.9445010342565959
Energy: 1.0151747361705894
Energy: 0.9445010342565959
Energy: 0.920439952467368
Energy: 1.0473622234040827
Energy: 0.9204399524665494
Energy: 1.0473622234049011
Energy: 0.920439952467368
Energy: 1.0473622234049011
Energy: 1.0151554075949316
Energy: 0.9445086857495082
Energy: 1.0151554075965685
Energy: 0.9445086857495082
Energy: 1.01515540759575
Energy: 0.9445086857495082
Energy: 0.9264294119000639
Energy: 1.0215982750919796
Energy: 0.9264294119000639
Energy: 1.0215982750919796
Energy: 0.9264294119000639
Energy: 1.0215982750919796
Energy: 0.9281852776166818
Energy: 1.0498791750646352
Energy: 0.9281852776158634
Energy: 1.0498791750646352
Energy: 0.9281852776166818
Energy: 1.0498791750646352
Energy: 0.9264901013252136
Energy: 1.0211828179166211
Energy: 0.9264901013252136
Energy: 1.0211828179166211
Energy: 0.9264901013252136
Energy: 1.0211828179166211
Energy: 1.015174736169771
Energy: 0.9445010342557775
Energy: 1.015174736169771
Energy: 0.9445010342557775
Energy: 1.0151747361689525
Energy: 0.944501034254959
Energy: 0.920439952467368
Energy: 1.0473622234016273
Energy: 0.920439952467368
Energy: 1.0473622234016273
Energy: 0.9204399524681863
Energy: 1.0473622234024458
Energy: 1.0151554075973872
Energy: 0.9445086857503265
Energy: 1.0151554075973872
Energy: 0.9445086857503265
Energy: 1.0151554075973872
Energy: 0.9445086857511451

minimum gb energy = 0.9204399524665494 eV
minimum distance =  2.57596417628043 Angstroms
sigma value = 9


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

Energy: 0.9652040626253542
Energy: 0.9801845079347614
Energy: 0.9652040626253542
Energy: 0.9801845079354298
Energy: 0.9652040626253542
Energy: 0.9801845079354298
Energy: 0.9803559841885948
Energy: 0.9708351525040977
Energy: 0.9803559841885948
Energy: 0.9708351525040977
Energy: 0.9803559841879266
Energy: 0.9708351525040977
Energy: 1.014546941994074
Energy: 0.952582445993695
Energy: 1.014546941994074
Energy: 0.9525824459930268
Energy: 1.0145469419934057
Energy: 0.952582445993695
Energy: 0.9292710660290787
Energy: 1.0360568952208338
Energy: 0.9292710660297471
Energy: 1.0360568952201654
Energy: 0.9292710660290787
Energy: 1.0360568952201654
Energy: 0.977528939861161
Energy: 0.9523030501701758
Energy: 0.9775289398624977
Energy: 0.9523030501701758
Energy: 0.9775289398604927
Energy: 0.9523030501695076
Energy: 1.0023520714067178
Energy: 0.9391498957274589
Energy: 1.002352071407386
Energy: 0.9391498957274589
Energy: 1.0023520714060496
Energy: 0.9391498957274589
Energy: 0.9270894723706818
Energy: 1.0240865137915698
Energy: 0.9270894723713501
Energy: 1.024086513792906
Energy: 0.9270894723693757
Energy: 1.0240865137915698
Energy: 0.9247101421633362
Energy: 1.0018054719968574
Energy: 0.9247101421633362
Energy: 1.0018054719968574
Energy: 0.9247101421633362
Energy: 1.0018054719975258
Energy: 1.0390323777933146
Energy: 0.9524565741343908
Energy: 1.039032377793983
Energy: 0.9524565741357274
Energy: 1.039032377794651
Energy: 0.9524565741350591
Energy: 0.9293033094670383
Energy: 0.9988512682203358
Energy: 0.9293033094677066
Energy: 0.9988512682210042
Energy: 0.9293033094670383
Energy: 0.9988512682203358
Energy: 0.9757623926864288
Energy: 0.9815374218172757
Energy: 0.9757623926870971
Energy: 0.9815374218172757
Energy: 0.9757623926857605
Energy: 0.9815374218172757
Energy: 1.017421171563223
Energy: 0.9394729909595886
Energy: 1.0174211715652282
Energy: 0.9394729909629299
Energy: 1.017421171563223
Energy: 0.9394729909602568
Energy: 0.9254222043680375
Energy: 1.021068893482944
Energy: 0.9254222043673692
Energy: 1.021068893482944
Energy: 0.9254222043680375
Energy: 1.021068893482944
Energy: 0.9764218370374607
Energy: 1.0032689259819032
Energy: 0.9764218370361242
Energy: 1.0032689259825716
Energy: 0.9764218370367925
Energy: 1.0032689259825716
Energy: 1.0438971025091266
Energy: 0.9374646667930406
Energy: 1.0438971025111317
Energy: 0.9374646667937091
Energy: 1.043897102509795
Energy: 0.9374646667930406
Energy: 0.9625164902686254
Energy: 1.028282614667281
Energy: 0.9625164902692935
Energy: 1.0282826146692863
Energy: 0.9625164902686254
Energy: 1.0282826146706225
Energy: 0.9637175148599235
Energy: 1.0272938067685007
Energy: 0.9637175148605918
Energy: 1.0272938067685007
Energy: 0.9637175148599235
Energy: 1.0272938067698372
Energy: 1.110502491492126
Energy: 0.9394005793278948
Energy: 1.110502491492126
Energy: 0.9394005793312362
Energy: 1.1105024914914576
Energy: 0.9394005793305679
Energy: 0.9408686964036141
Energy: 1.012259613325052
Energy: 0.9408686964042824
Energy: 1.012259613325052
Energy: 0.9408686964042824
Energy: 1.0122596133257207
Energy: 0.9567082795585942
Energy: 0.9698182001385658
Energy: 0.9567082795592623
Energy: 0.9698182001385658
Energy: 0.9567082795592623
Energy: 0.9698182001385658
Energy: 1.014924679188428
Energy: 0.942401035518941
Energy: 1.0149246791890962
Energy: 0.942401035518941
Energy: 1.0149246791890962
Energy: 0.942401035518941

minimum gb energy = 0.9247101421633362 eV
minimum distance =  2.58182702814196 Angstroms
sigma value = 27


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

Energy: 1.0079758609032041
Energy: 0.951354555607723
Energy: 1.007975860905457
Energy: 0.9513545556071598
Energy: 1.0079758609037672
Energy: 0.951354555607723
Energy: 1.0430956320737164
Energy: 0.9479206005528378
Energy: 1.0430956320720264
Energy: 0.9479206005528378
Energy: 1.0430956320720264
Energy: 0.9479206005528378
Energy: 0.988120330898515
Energy: 0.9491967364223842
Energy: 0.9881203308979518
Energy: 0.9491967364223842
Energy: 0.9881203308979518
Energy: 0.9491967364223842
Energy: 0.9489996017520738
Energy: 0.9692483249496314
Energy: 0.9489996017526371
Energy: 0.9692483249496314
Energy: 0.9489996017515104
Energy: 0.9692483249501946
Energy: 0.9462711498126276
Energy: 1.0109990379830367
Energy: 0.9462711498148807
Energy: 1.0109990379824734
Energy: 0.9462711498126276
Energy: 1.0109990379824734
Energy: 1.012625693919822
Energy: 0.9933349215159587
Energy: 1.0126256939203855
Energy: 0.9933349215170852
Energy: 1.012625693919822
Energy: 0.9933349215159587
Energy: 0.9527516930005808
Energy: 0.9748690693501287
Energy: 0.952751693001144
Energy: 0.9748690693518187
Energy: 0.952751693001144
Energy: 0.9748690693501287
Energy: 0.9799058939711817
Energy: 0.9870087703416375
Energy: 0.979905893979068
Energy: 0.9870087703416375
Energy: 0.9799058939785047
Energy: 0.9870087703422008
Energy: 0.9940409315702099
Energy: 0.9494103559398995
Energy: 0.9940409315702099
Energy: 0.9494103559398995
Energy: 0.9940409315702099
Energy: 0.9494103559398995
Energy: 0.9840620440219476
Energy: 0.9516129815634942
Energy: 0.9840620440213843
Energy: 0.9516129815634942
Energy: 0.9840620440213843
Energy: 0.9516129815634942
Energy: 0.9975240873014883
Energy: 0.9636244327862272
Energy: 0.997524087299235
Energy: 0.9636244327867906
Energy: 0.9975240873020516
Energy: 0.9636244327867906
Energy: 0.9765696077888474
Energy: 0.9483230485420231
Energy: 0.9765696077877207
Energy: 0.9483230485414597
Energy: 0.9765696077888474
Energy: 0.9483230485414597
Energy: 0.9884250729236
Energy: 0.9627751469486705
Energy: 0.98842507292191
Energy: 0.9627751469486705
Energy: 0.9884250729213468
Energy: 0.9627751469486705
Energy: 0.953519957476633
Energy: 0.9870152172885592
Energy: 0.9535199574771962
Energy: 0.987015217286306
Energy: 0.953519957476633
Energy: 0.9870152172891227
Energy: 0.9672962293231997
Energy: 0.9936810428731675
Energy: 0.9672962293248897
Energy: 0.993681042874294
Energy: 0.9672962293237631
Energy: 0.9936810428765472
Energy: 0.9477395804877274
Energy: 1.0097555980394533
Energy: 0.947739580488854
Energy: 1.0097555980400166
Energy: 0.9477395804882909
Energy: 1.0097555980394533
Energy: 0.9679625728700453
Energy: 0.9883456836824976
Energy: 0.9679625728706085
Energy: 0.9883456836830354
Energy: 0.9679625728711719
Energy: 0.9883456836830354
Energy: 0.9603860366548469
Energy: 0.9493394288152756
Energy: 0.9603860366537202
Energy: 0.9493394288152756
Energy: 0.9603860366548469
Energy: 0.9493394288152756
Energy: 0.9668342493725192
Energy: 0.9500408640152465
Energy: 0.966834249370266
Energy: 0.950040864014683
Energy: 0.966834249370266
Energy: 0.950040864014683
Energy: 1.0079758609077105
Energy: 0.9513545556043431
Energy: 1.0079758609032041
Energy: 0.9513545556054698
Energy: 1.0079758608981344
Energy: 0.9513545556043431
Energy: 1.0430956320770963
Energy: 0.947920600553401
Energy: 1.0430956320754063
Energy: 0.9479206005528378
Energy: 1.0430956320759697
Energy: 0.9479206005528378
Energy: 0.9881203308956986
Energy: 0.9491967364240484
Energy: 0.9881203308962618
Energy: 0.9491967364240484
Energy: 0.9881203308968252
Energy: 0.9491967364240484
Energy: 0.9489996017526371
Energy: 0.9692483249473781
Energy: 0.9489996017526371
Energy: 0.9692483249473781
Energy: 0.9489996017520738
Energy: 0.9692483249473781
Energy: 0.946271149811501
Energy: 1.0109990379847265
Energy: 0.946271149811501
Energy: 1.0109990379841634
Energy: 0.946271149811501
Energy: 1.0109990379841634
Energy: 1.012625693923202
Energy: 0.993334921514832
Energy: 1.012625693923202
Energy: 0.993334921514832
Energy: 1.012625693923202
Energy: 0.993334921514832

minimum gb energy = 0.946271149811501 eV
minimum distance =  2.55532815910489 Angstroms
sigma value = 19


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

Energy: 0.9672430822967034
Energy: 0.9426732346641133
Energy: 0.9672430822967034
Energy: 0.9426732346650859
Energy: 0.9672430822962171
Energy: 0.9426732346655722
Energy: 0.9425627310594301
Energy: 0.933891915276675
Energy: 0.9425627310584577
Energy: 0.933891915276675
Energy: 0.9425627310604027
Energy: 0.933891915276675
Energy: 1.0045369999423803
Energy: 0.9244702596882873
Energy: 0.9563590794385165
Energy: 0.9244702596887736
Energy: 0.9563590794365715
Energy: 0.9244702596882873
Energy: 0.9263278719455472
Energy: 0.9492803915170487
Energy: 0.9263278719455472
Energy: 0.9492803915170487
Energy: 0.9263278719455472
Energy: 0.9492803915175348
Energy: 0.9310139456440781
Energy: 0.9460183929183601
Energy: 0.9310139456445644
Energy: 0.9460183929183601
Energy: 0.9310139456440781
Energy: 0.9460183929193327
Energy: 0.9566565317551777
Energy: 0.9355675358746156
Energy: 0.9566565317551777
Energy: 0.9355675358746156
Energy: 0.956656531755664
Energy: 0.935567535875588
Energy: 0.9240398528457369
Energy: 0.9419043390806162
Energy: 0.9240398528471957
Energy: 0.9419043390796437
Energy: 0.9240398528462233
Energy: 0.9419043390786712
Energy: 0.9298238861281297
Energy: 0.9499198506877989
Energy: 0.9298238861281297
Energy: 0.9499198506873128
Energy: 0.929823886128616
Energy: 0.9499198506877989
Energy: 0.9878764471245376
Energy: 0.9238768550727338
Energy: 0.9878764471235651
Energy: 0.9238768550722474
Energy: 0.9878764471201833
Energy: 0.9238768550732199
Energy: 0.9382846496245322
Energy: 0.9461216512956637
Energy: 0.9382846496250183
Energy: 0.9461216512956637
Energy: 0.9382846496245322
Energy: 0.9461216512946912
Energy: 0.9269409022905818
Energy: 0.9741177635100731
Energy: 0.9269409022910681
Energy: 0.9741177635100731
Energy: 0.9269409022910681
Energy: 0.9741177635110456
Energy: 0.9646169930780768
Energy: 0.925788057466257
Energy: 0.9646169930775906
Energy: 0.9257880574652847
Energy: 0.9646169930780768
Energy: 0.9257880574652847
Energy: 0.925680952749337
Energy: 0.9361897023368019
Energy: 0.9256809527507959
Energy: 0.9361897023368019
Energy: 0.9256809527498234
Energy: 0.9361897023368019
Energy: 0.9266035914632781
Energy: 0.945238043714005
Energy: 0.9266035914627917
Energy: 0.9452380437144912
Energy: 0.9266035914637643
Energy: 0.9452380437144912
Energy: 0.9526618938225472
Energy: 0.9252199914799102
Energy: 0.9526618938225472
Energy: 0.9252199914799102
Energy: 0.9526618938215747
Energy: 0.9252199914789377
Energy: 0.9635730822036273
Energy: 0.9192204200724723
Energy: 0.9635730822021686
Energy: 0.9192204200729585
Energy: 0.9635730822021686
Energy: 0.9192204200724723
Energy: 0.9271045262203861
Energy: 0.9668764687697363
Energy: 0.9271045262194136
Energy: 0.96687646876925
Energy: 0.9271045262198999
Energy: 0.9668764687697363
Energy: 0.9643304948563993
Energy: 0.9439462778989945
Energy: 0.964330494855913
Energy: 0.9439462778989945
Energy: 0.964330494855913
Energy: 0.9439462778989945
Energy: 0.9391206665722074
Energy: 0.9366229310933251
Energy: 0.9391206665736662
Energy: 0.9366229310928389
Energy: 0.9391206665722074
Energy: 0.9366229310928389
Energy: 0.9288981895462572
Energy: 0.9441296176613273
Energy: 0.9288981895462572
Energy: 0.9441296176622997
Energy: 0.9288981895462572
Energy: 0.9441296176618136
Energy: 0.9201201676930971
Energy: 0.966433272682978
Energy: 0.9201201676930971
Energy: 0.9664332726820055
Energy: 0.9201201676935835
Energy: 0.9664332726820055
Energy: 0.9903240611220515
Energy: 0.9184287702954724
Energy: 0.9903240536153428
Energy: 0.9184287702949863
Energy: 0.990324040608745
Energy: 0.9184287702949863
Energy: 0.9478567045429006
Energy: 0.9420090269485346
Energy: 0.947856704543387
Energy: 0.9420090269485346
Energy: 0.947856704543387
Energy: 0.9420090269475622
Energy: 0.9494362423108675
Energy: 0.9453176702200174
Energy: 0.9494362423113537
Energy: 0.9453176702200174
Energy: 0.9494362423108675
Energy: 0.9453176702190449
Energy: 0.9399816691541172
Energy: 0.9238383120680259
Energy: 0.9399816691546032
Energy: 0.9238383120675397
Energy: 0.9399816691541172
Energy: 0.9238383120670534
Energy: 0.9390727634383107
Energy: 0.9313568609739293
Energy: 0.9390727634383107
Energy: 0.9313568609734432
Energy: 0.939072763438797
Energy: 0.9313568609744156
Energy: 0.9340543470635103
Energy: 0.9701561874667262
Energy: 0.9179892707219287
Energy: 0.9701561874662398
Energy: 0.9340543470635103
Energy: 0.9701561874647812
Energy: 0.9492581209749527
Energy: 0.9352997413087192
Energy: 0.9492581209759251
Energy: 0.9352997413092055
Energy: 0.9492581209749527
Energy: 0.9352997413087192
Energy: 0.9296568940470262
Energy: 0.9390036905152167
Energy: 0.92965689404654
Energy: 0.9390036905152167
Energy: 0.9296568940475124
Energy: 0.9390036905147303

minimum gb energy = 0.9179892707219287 eV
minimum distance =  2.54331519363539 Angstroms
sigma value = 101


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

Energy: 0.9454873637761769
Energy: 0.9249590054387603
Energy: 0.9454873637740399
Energy: 0.9249590054387603
Energy: 0.9454873637757495
Energy: 0.9249590054387603
Energy: 0.9184913309363808
Energy: 0.9038905425909919
Energy: 0.9184913309355259
Energy: 0.9038905425914192
Energy: 0.9184913309355259
Energy: 0.8988427767522462
Energy: 0.9187509507602131
Energy: 0.9048515597047577
Energy: 0.9187509507602131
Energy: 0.9048515597047577
Energy: 0.9187509507602131
Energy: 0.9048515597043303
Energy: 0.8899877230992042
Energy: 0.9190410236220082
Energy: 0.8899877231000589
Energy: 0.9190410236207259
Energy: 0.8899877230992042
Energy: 0.9190410236220082
Energy: 0.8982188948387768
Energy: 0.9119340243952719
Energy: 0.8982188948387768
Energy: 0.9119340243952719
Energy: 0.8982188948387768
Energy: 0.9119340243944171
Energy: 0.9035903745731642
Energy: 0.9030346621776064
Energy: 0.9035903745735917
Energy: 0.9030346621780339
Energy: 0.9035903745731642
Energy: 0.9030346621780339
Energy: 0.8998172774137364
Energy: 0.9226301867864118
Energy: 0.8998172774133089
Energy: 0.9226301867859844
Energy: 0.8998172774133089
Energy: 0.9226301867868393
Energy: 0.8939557671704654
Energy: 0.9195349829616308
Energy: 0.8939557671717477
Energy: 1.005314810160827
Energy: 0.8939557671713202
Energy: 0.9195349829612034
Energy: 0.9042943643403856
Energy: 0.9016005147844764
Energy: 0.9042943643395308
Energy: 0.9016005147797941
Energy: 0.904294364339958
Energy: 0.9016005147844764
Energy: 0.9072784253682199
Energy: 0.9180961698760886
Energy: 0.9072784253695022
Energy: 0.9822110971675292
Energy: 0.9072784253699296
Energy: 0.9128672198390709
Energy: 0.8996454139216584
Energy: 1.0291097900531305
Energy: 0.8996454139220859
Energy: 1.0291097900539856
Energy: 0.8996454139212311
Energy: 1.0291097900535582
Energy: 0.9268591025533184
Energy: 0.8984958245398984
Energy: 0.9268591025520361
Energy: 0.9041087678643075
Energy: 0.9268591025516087
Energy: 0.898495824540326
Energy: 0.8947447698424863
Energy: 0.9043159658350594
Energy: 0.8947447698424863
Energy: 0.9043159658350594
Energy: 0.8947447698420589
Energy: 0.9043159658350594
Energy: 0.9095633706848077
Energy: 0.9380403876097398
Energy: 0.9095633706843802
Energy: 0.9764978420281708
Energy: 0.9095633706835256
Energy: 0.9767311382135808
Energy: 0.9069653830406516
Energy: 0.9090698461478198
Energy: 0.9069653830389418
Energy: 0.9090698461478198
Energy: 0.9069653830393692
Energy: 0.9090698461478198
Energy: 0.9191675376701955
Energy: 0.9040759499271598
Energy: 0.9191675376689132
Energy: 0.9040759499271598
Energy: 0.9191675376680585
Energy: 0.9040759499271598
Energy: 0.8900144792308806
Energy: 0.9344432072545081
Energy: 0.8900144792317356
Energy: 0.9344432072545081
Energy: 0.8900144792308806
Energy: 0.9344432072545081
Energy: 0.8939027254631373
Energy: 0.9105731861813472
Energy: 0.8939027254631373
Energy: 0.9105731861809199
Energy: 0.8939027254635648
Energy: 0.9105731861817746
Energy: 0.9035475168306032
Energy: 0.901927302214094
Energy: 0.9035475168306032
Energy: 0.901927302214094
Energy: 0.9035475168301759
Energy: 0.901927302214094
Energy: 0.9077869449191549
Energy: 0.8993769019100725
Energy: 0.9077869449191549
Energy: 0.8993769019092176
Energy: 0.9077869449191549
Energy: 0.8993769019092176
Energy: 0.8967508517842367
Energy: 1.011901974159985
Energy: 0.8967508517833819
Energy: 1.0119019741595576
Energy: 0.8967508517842367
Energy: 1.011901974159985
Energy: 0.9422262781294813
Energy: 0.8995789365673833
Energy: 0.9422262781307637
Energy: 0.8995789365673833
Energy: 0.9422262781299087
Energy: 0.8995789365673833
Energy: 0.937114444312686
Energy: 0.9043973476791621
Energy: 0.9371144443122584
Energy: 0.9043973476791621
Energy: 0.937114444312686
Energy: 0.9043973476791621
Energy: 0.8901961519291162
Energy: 0.9933150298237127
Energy: 0.8901961519295435
Energy: 0.9933150298245674
Energy: 0.8901961519295435
Energy: 0.9933150298245674
Energy: 0.9260650300209783
Energy: 0.9083172593410761
Energy: 0.9260650300214057
Energy: 0.9083172593410761
Energy: 0.9260650300205509
Energy: 0.9083172593410761
Energy: 0.8955845141995024
Energy: 0.9040394516243248
Energy: 0.8955845141986473
Energy: 0.9040394516243248
Energy: 0.8955845141990748
Energy: 0.904039451624752
Energy: 0.9104212938910434
Energy: 0.9392235171836026
Energy: 0.9104212938910434
Energy: 0.9392235171836026
Energy: 0.9104212938906162
Energy: 0.9392235171831753
Energy: 0.9105337153084871
Energy: 0.907516460548138
Energy: 0.9105337153093419
Energy: 0.9075164605472831
Energy: 0.9105337153089146
Energy: 0.9075164605485654
Energy: 0.9942578136432919
Energy: 0.9015670686722672
Energy: 0.9942578136437192
Energy: 0.9015670686722672
Energy: 0.9942578136437192
Energy: 0.9015670686722672
Energy: 0.8932322196093073
Energy: 0.907744510344975
Energy: 0.8932322196084524
Energy: 0.907744510344975
Energy: 0.8932322196088798
Energy: 0.9077445103458299
Energy: 0.8962848036623275
Energy: 0.9150728302931307
Energy: 0.8962848036623275
Energy: 0.9150728302935581
Energy: 0.8962848036623275
Energy: 0.9150728302935581
Energy: 0.9428701474506244
Energy: 0.8994274115022644
Energy: 0.9428701474523341
Energy: 0.8994274115026918
Energy: 0.9428701474510518
Energy: 0.8994274115026918
Energy: 0.9401390840101606
Energy: 0.903004438273077
Energy: 0.940139084010588
Energy: 0.9030044382717948
Energy: 0.9401390840101606
Energy: 0.903004438273077

minimum gb energy = 0.8899877230992042 eV
minimum distance =  2.55251981681932 Angstroms
sigma value = 33


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

Energy: 0.010129297003368282
Energy: 0.5591175000147378
Energy: 0.010129297004058832
Energy: 0.5591175000147378
Energy: 0.010129297004413972
Energy: 0.5591175000147378
Energy: 0.01065420576681508
Energy: 0.17457687014897863
Energy: 0.01065420576681508
Energy: 0.1745768701486432
Energy: 0.01065420576645994
Energy: 0.1745768701486432
Energy: 0.5591725041957546
Energy: 0.17558440359129482
Energy: 0.5591719244716226
Energy: 0.17558440359129482
Energy: 0.559169826839459
Energy: 0.1755844035919854
Energy: 0.01065420576681508
Energy: 0.1745768701482881
Energy: 0.01065420576715049
Energy: 0.17457687014897863
Energy: 0.01065420576681508
Energy: 0.1745768701486432

minimum gb energy = 0.010129297003368282 eV
minimum distance =  2.83826703106679 Angstroms
sigma value = 1