Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.589836478233337
cohesive_energy=3.5173113226742925
mass=63.546
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: -1.33896697780266e-24 eV

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

Energy: 0.013797549191712244
Energy: 0.8084204334573599
Energy: 0.013797549191712244
Energy: 0.8084204334576779
Energy: 0.013797549191712244
Energy: 0.8084204334573599
Energy: 0.8084204334576779
Energy: 0.8316432294637194
Energy: 0.8084204334576779
Energy: 0.8316432294637194
Energy: 0.8084204334573599
Energy: 0.8316432294637194
Energy: 0.013797549191712244
Energy: 0.8084204334576779
Energy: 0.013797549191994926
Energy: 0.8084204334573599
Energy: 0.013797549191994926
Energy: 0.8084204334576779
Energy: 0.8084204334573599
Energy: 0.8316432294637194
Energy: 0.8084204334576779
Energy: 0.8316432294637194
Energy: 0.8084204334576779
Energy: 0.8316432294637194
Energy: 0.013797549191712244
Energy: 0.8084204334573599
Energy: 0.013797549191994926
Energy: 0.8084204334573599
Energy: 0.013797549191712244
Energy: 0.8084204334573599
Energy: 0.8084204334576779
Energy: 0.8316432294634013
Energy: 0.8084204334576779
Energy: 0.8316432294637194
Energy: 0.8084204334573599
Energy: 0.8316432294637194

minimum gb energy = 0.013797549191712244 eV
minimum distance =  2.37609438670161 Angstroms
sigma value = 1


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

Energy: 1.0034257971747433
Energy: 0.9491444371911085
Energy: 1.0034257971747433
Energy: 0.9491444371911085
Energy: 1.0034257971747433
Energy: 0.9491444371911085
Energy: 1.078192052724042
Energy: 0.8799740537388921
Energy: 1.078192052724042
Energy: 0.8799740537388921
Energy: 1.078192052724042
Energy: 0.8799740537388921
Energy: 0.9451851022524752
Energy: 1.0004125462079994
Energy: 1.0002507515026862
Energy: 1.0004125462087647
Energy: 0.9451851022524752
Energy: 1.0004125462087647
Energy: 1.0561846461421098
Energy: 0.927227830131108
Energy: 1.0561846461421098
Energy: 0.927227830131108
Energy: 1.0561846461421098
Energy: 0.927227830131108
Energy: 0.9582744919750251
Energy: 1.00588780605472
Energy: 0.9582744919750251
Energy: 1.00588780605472
Energy: 0.9582744919750251
Energy: 1.00588780605472
Energy: 1.0047825609022645
Energy: 0.90240020244873
Energy: 1.0047825609022645
Energy: 0.90240020244873
Energy: 1.0047825609022645
Energy: 0.90240020244873
Energy: 0.9178314358316351
Energy: 0.9864978886335705
Energy: 0.9178314358316351
Energy: 0.986497888634336
Energy: 0.9758044739071098
Energy: 0.9864978886335705
Energy: 0.9237932001138757
Energy: 1.060477456380886
Energy: 0.9237932001138757
Energy: 1.0604774563801203
Energy: 0.9237932001138757
Energy: 1.0604774563801203
Energy: 1.0271772496637768
Energy: 0.9940900593439793
Energy: 1.0271772496637768
Energy: 0.9940900593439793
Energy: 1.0271772496637768
Energy: 0.9940900593439793
Energy: 0.8690640793387892
Energy: 1.0498257441386165
Energy: 0.8690640793387892
Energy: 1.0498257441386165
Energy: 0.8690640793387892
Energy: 1.0498257441386165
Energy: 1.003951365871299
Energy: 0.900942570460174
Energy: 1.003951365871299
Energy: 0.900942570460174
Energy: 1.003951365871299
Energy: 0.900942570460174
Energy: 0.8517666154209041
Energy: 1.0271334383775117
Energy: 0.8517666154209041
Energy: 1.0271334383775117
Energy: 0.8517666154209041
Energy: 1.0271334383775117
Energy: 1.0842069411139765
Energy: 0.8424399537908159
Energy: 1.0842069411139765
Energy: 0.8424399537908159
Energy: 1.0842069411147417
Energy: 0.8424399537908159
Energy: 0.9149209123152643
Energy: 0.9387782637153759
Energy: 0.9149209123152643
Energy: 0.9387782637153759
Energy: 0.9149209123152643
Energy: 0.9387782637153759
Energy: 1.1177444485738557
Energy: 0.8776965763911432
Energy: 1.1177444485730903
Energy: 0.8776965763911432
Energy: 1.1177444485738557
Energy: 0.8776965763911432
Energy: 1.1162490925461293
Energy: 1.0066647241434679
Energy: 1.1162490925461293
Energy: 1.0066647241434679
Energy: 1.1162490925461293
Energy: 1.0066647241434679
Energy: 0.9778453390492277
Energy: 0.9722776714884726
Energy: 0.9778453390492277
Energy: 0.9722776714884726
Energy: 0.9778453390492277
Energy: 0.9722776714884726
Energy: 0.9777241783136094
Energy: 0.9295000163331907
Energy: 0.9777241783136094
Energy: 0.9295000163331907
Energy: 0.9777241783136094
Energy: 0.9295000163339561
Energy: 0.968110730390421
Energy: 0.9284430057261123
Energy: 0.968110730390421
Energy: 0.9284430057268777
Energy: 0.968110730390421
Energy: 0.9284430057261123
Energy: 1.0086856845323993
Energy: 0.9020663324792508
Energy: 1.0086856845323993
Energy: 0.9020663324792508
Energy: 1.0086856845323993
Energy: 0.9020663324792508
Energy: 0.8902889013806002
Energy: 1.0683058142101185
Energy: 0.8902889013806002
Energy: 1.0683058142101185
Energy: 0.890288901381366
Energy: 1.0683058142101185
Energy: 1.0146314570407664
Energy: 0.9886991504874303
Energy: 1.0146314570407664
Energy: 0.9886991504874303
Energy: 1.0146314570407664
Energy: 0.9886991504881959
Energy: 0.8671210672698723
Energy: 1.0724546018448422
Energy: 0.8671210672698723
Energy: 1.0724546018448422
Energy: 0.8671210672698723
Energy: 1.0724546018448422

minimum gb energy = 0.8424399537908159 eV
minimum distance =  2.30833791026941 Angstroms
sigma value = 33


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

Energy: 1.1081010674956175
Energy: 1.029963195502497
Energy: 1.1081010674956175
Energy: 1.0299631955029325
Energy: 1.1081010674956175
Energy: 1.0299631955029325
Energy: 1.0631660687188187
Energy: 0.9335352483310067
Energy: 1.0631660687188187
Energy: 0.9335352483310067
Energy: 1.0631660687192541
Energy: 0.9335352483310067
Energy: 0.9016949280559169
Energy: 0.9353905638935274
Energy: 0.9016949280559169
Energy: 0.9353905638939628
Energy: 0.9016949280559169
Energy: 0.9353905638939628
Energy: 1.02299625749221
Energy: 1.0295297385192441
Energy: 1.02299625749221
Energy: 1.0295297385192441
Energy: 1.02299625749221
Energy: 1.0295297385188087
Energy: 0.9748628177641835
Energy: 0.9762656342104573
Energy: 0.9748628177641835
Energy: 0.9762656342108926
Energy: 0.9748628177641835
Energy: 0.9762656342104573
Energy: 0.8985100150435185
Energy: 0.901061549888649
Energy: 0.8985100150435185
Energy: 0.901061549888649
Energy: 0.8985100150439539
Energy: 0.901061549888649
Energy: 1.0407211747978313
Energy: 1.0595616022794008
Energy: 1.040721174797396
Energy: 1.0595616022794008
Energy: 1.0407211747978313
Energy: 1.0595616022794008
Energy: 0.8540447227663132
Energy: 1.1226751177825582
Energy: 0.8540447227663132
Energy: 1.1226751177829937
Energy: 0.8540447227663132
Energy: 1.1226751177825582
Energy: 0.8940134435069107
Energy: 0.9033715522965937
Energy: 0.8940134435069107
Energy: 0.9033715522965937
Energy: 0.8940134435069107
Energy: 0.9033715522965937
Energy: 0.8840393388618678
Energy: 1.0764474226197986
Energy: 0.8840393388614324
Energy: 1.0764474226197986
Energy: 0.8840393388614324
Energy: 1.076447422620234
Energy: 1.0875451790468247
Energy: 0.8847488856759843
Energy: 1.0875451790463893
Energy: 0.8847488856759843
Energy: 1.0875451790463893
Energy: 0.8847488856759843
Energy: 0.9018123614482729
Energy: 0.936895260056343
Energy: 0.9018123614478374
Energy: 0.936895260056343
Energy: 0.9018123614482729
Energy: 0.936895260056343
Energy: 1.004178838167385
Energy: 0.8592495487492043
Energy: 1.004178838167385
Energy: 0.8592495487492043
Energy: 1.004178838167385
Energy: 0.8592495487492043
Energy: 1.0032655861592017
Energy: 1.0414588030568273
Energy: 1.0032655861596371
Energy: 1.0414588030572627
Energy: 1.0032655861596371
Energy: 1.0414588030568273
Energy: 0.996003568115311
Energy: 0.9363724524372217
Energy: 0.996003568115311
Energy: 0.9363724524367864
Energy: 0.996003568115311
Energy: 0.9363724524367864
Energy: 0.9005601979973575
Energy: 0.9346855005600702
Energy: 0.9005601979973575
Energy: 0.934685500560466
Energy: 0.9005601979973575
Energy: 0.9346855005600702
Energy: 1.0306362407377634
Energy: 1.0293097954382169
Energy: 1.0306362407377634
Energy: 1.0293097954382169
Energy: 1.0306362407377634
Energy: 1.0293097954377814
Energy: 0.9750995442204796
Energy: 0.9012051864861516
Energy: 0.9750995442204796
Energy: 0.9012051864861516
Energy: 0.9750995442204796
Energy: 0.9012051864861516
Energy: 0.9005761408069659
Energy: 0.9230914711005106
Energy: 0.9005761408065304
Energy: 0.9230914711005106
Energy: 0.9005761408065304
Energy: 0.9230914711009459
Energy: 1.0403603866899018
Energy: 1.0587924509903095
Energy: 1.0403603866899018
Energy: 1.0587924509903095
Energy: 1.0403603866899018
Energy: 1.0587924509903095
Energy: 0.8518289762061559
Energy: 1.0662547070264985
Energy: 0.8518289762061559
Energy: 1.0662547070264985
Energy: 0.8518289762061559
Energy: 1.0662547070264985
Energy: 0.8930781304552161
Energy: 0.9046269192749901
Energy: 0.8930781304547807
Energy: 0.9046269192749901
Energy: 0.8930781304552161
Energy: 0.9046269192749901
Energy: 0.8838416624996002
Energy: 1.072837530172109
Energy: 0.8838416624996002
Energy: 1.072837530172109
Energy: 0.8838416624996002
Energy: 1.072837530172109
Energy: 1.0259695186440054
Energy: 0.9752813269381111
Energy: 1.0259695186444406
Energy: 0.9752813269381111
Energy: 1.0259695186440054
Energy: 0.9752813269381111
Energy: 0.9014903772280428
Energy: 0.8988587576249434
Energy: 0.9014903772284782
Energy: 0.8988587576249434
Energy: 0.9014903772284782
Energy: 0.8988587576245081
Energy: 1.1009035013299402
Energy: 1.0140519759710653
Energy: 1.1009035013299402
Energy: 1.0140519759710653
Energy: 1.1009035013303756
Energy: 1.0140519759710653
Energy: 1.101150862799055
Energy: 1.0232769342412096
Energy: 1.1011508627994904
Energy: 1.0232769342412096
Energy: 1.1011508627994904
Energy: 1.0232769342412096
Energy: 0.9020147051671559
Energy: 0.8932343960285571
Energy: 0.9020147051667206
Energy: 0.8932343960289924
Energy: 0.9020147051667206
Energy: 0.8932343960289924
Energy: 1.073851586970562
Energy: 0.9330131441666775
Energy: 1.0738515869701266
Energy: 0.9330131441666775
Energy: 1.073851586970562
Energy: 0.9330131441666775
Energy: 0.884068570320843
Energy: 1.115784865960659
Energy: 0.8840685703212783
Energy: 1.115784865960659
Energy: 0.8840685703212783
Energy: 1.115784865960659
Energy: 1.0390961327338493
Energy: 0.9034080878500679
Energy: 1.0390961327338493
Energy: 0.9034080878500679
Energy: 1.0390961327338493
Energy: 0.9034080878500679
Energy: 0.857427639867731
Energy: 1.0556598664438575
Energy: 0.8574276398681665
Energy: 1.0556598664438575
Energy: 0.8574276398681665
Energy: 1.0556598664438575
Energy: 1.038740407157959
Energy: 1.0587419241519016
Energy: 1.0387404071575237
Energy: 1.058741924152337
Energy: 1.038740407157959
Energy: 1.058741924152337
Energy: 0.937223803587389
Energy: 0.995781896886795
Energy: 0.937223803587389
Energy: 0.9957818968863595
Energy: 0.937223803587389
Energy: 0.995781896886795
Energy: 0.9350262005145779
Energy: 0.9011540531722583
Energy: 0.9350262005145779
Energy: 0.9011540531718227
Energy: 0.9350262005145779
Energy: 0.9011540531722583
Energy: 1.0331965280827144
Energy: 1.0225059878214622
Energy: 1.033196528082279
Energy: 1.022505987821027
Energy: 1.033196528082279
Energy: 1.0225059878214622
Energy: 0.9011980994703889
Energy: 0.9749534296445586
Energy: 0.9011980994703889
Energy: 0.9749534296445586
Energy: 0.9011980994703889
Energy: 0.9749534296445586
Energy: 0.900748855457009
Energy: 0.8997844838640454
Energy: 0.900748855457009
Energy: 0.8997844838640454
Energy: 0.900748855457009
Energy: 0.899784483864481
Energy: 1.0031670650193019
Energy: 1.0443216916820857
Energy: 1.0031670650193019
Energy: 1.0443216916820857
Energy: 1.0031670650193019
Energy: 1.0443216916820857
Energy: 1.12749841843886
Energy: 0.8516341436810465
Energy: 1.12749841843886
Energy: 0.8516341436810465
Energy: 1.12749841843886
Energy: 0.8516341436810465
Energy: 0.9016617198797964
Energy: 0.89240998326602
Energy: 0.9016617198793608
Energy: 0.89240998326602
Energy: 0.9016617198793608
Energy: 0.8924099832664554

minimum gb energy = 0.8516341436810465 eV
minimum distance =  2.39883091395995 Angstroms
sigma value = 51


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

Energy: 0.9847787178796156
Energy: 1.0014411575992432
Energy: 0.9847787178796156
Energy: 1.0014411575992432
Energy: 0.9847787178796156
Energy: 1.0014411575992432
Energy: 1.0604828152028971
Energy: 0.9379406621870132
Energy: 1.0604828152028971
Energy: 0.9379406621870132
Energy: 1.0604828152028971
Energy: 0.9379406621870132
Energy: 0.9708400792901989
Energy: 0.9938485111797564
Energy: 0.9708400792901989
Energy: 0.9938485111797564
Energy: 0.9708400792901989
Energy: 0.9938485111797564
Energy: 0.9822378115053643
Energy: 0.8693780573623617
Energy: 0.9822378115053643
Energy: 0.8693780573623617
Energy: 0.9822378115053643
Energy: 0.8693780573623617
Energy: 0.9958198984037157
Energy: 0.9559671755491908
Energy: 0.9958198984027067
Energy: 0.9559671755491908
Energy: 0.9958198984037157
Energy: 0.9559671755491908
Energy: 1.0461337893366245
Energy: 0.9556365271230501
Energy: 1.0461337893366245
Energy: 0.9556365271230501
Energy: 1.0461337893366245
Energy: 0.9556365271230501
Energy: 0.9530189502474065
Energy: 0.9557415539230549
Energy: 0.9530189502474065
Energy: 0.9557415539230549
Energy: 0.9530189502474065
Energy: 0.9557415539230549
Energy: 0.9082393785146752
Energy: 0.9563081376705977
Energy: 0.9082393785146752
Energy: 0.9563081376705977
Energy: 0.9082393785146752
Energy: 0.9563081376705977
Energy: 1.121696912644062
Energy: 0.8660371934150074
Energy: 1.121696912644062
Energy: 0.8660371934150074
Energy: 1.121696912644062
Energy: 0.8660371934150074
Energy: 0.8844864718498693
Energy: 1.0086559137952387
Energy: 0.8844864718498693
Energy: 1.0086559137952387
Energy: 0.8844864718498693
Energy: 1.00865591379423
Energy: 1.0387067242161703
Energy: 0.8664726045910186
Energy: 1.0387067242161703
Energy: 0.8664726045900096
Energy: 1.0387067242161703
Energy: 0.8664726045900096
Energy: 0.9827589605493297
Energy: 1.0035697020652474
Energy: 0.9827589605493297
Energy: 1.0035697020652474
Energy: 0.9827589605493297
Energy: 1.0035697020652474
Energy: 1.0585428983203382
Energy: 0.9383149038680341
Energy: 1.0585428983203382
Energy: 0.9383149038670252
Energy: 1.0585428983203382
Energy: 0.9383149038670252
Energy: 0.9462855408406147
Energy: 0.9210363630507706
Energy: 0.9462855408406147
Energy: 0.9210363630507706
Energy: 0.9462855408406147
Energy: 0.9210363630507706
Energy: 0.98215974084872
Energy: 0.9891987709725645
Energy: 0.98215974084872
Energy: 0.9891987709725645
Energy: 0.98215974084872
Energy: 0.9891987709725645
Energy: 0.9955679968696604
Energy: 0.955693761513669
Energy: 0.9955679968696604
Energy: 0.955693761513669
Energy: 0.9955679968696604
Energy: 0.955693761513669
Energy: 0.9957117335207712
Energy: 1.0307394144722926
Energy: 0.9957117335207712
Energy: 1.0307394144722926
Energy: 0.9957117335207712
Energy: 1.0307394144722926
Energy: 0.9861430563101468
Energy: 0.9600524115553541
Energy: 0.9861430563101468
Energy: 0.9600524115563629
Energy: 0.9861430563101468
Energy: 0.9600524115563629

minimum gb energy = 0.8660371934150074 eV
minimum distance =  2.30717208672276 Angstroms
sigma value = 19


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

Energy: 0.9235153755492167
Energy: 0.9537707004196174
Energy: 0.8230123491996568
Energy: 0.9537707004196174
Energy: 0.9235153755492167
Energy: 0.9537707004196174
Energy: 1.0167082478599923
Energy: 0.9922724334690346
Energy: 1.0167082478605907
Energy: 0.9922724334690346
Energy: 1.0167082478605907
Energy: 0.9922724334690346
Energy: 0.8906580347488104
Energy: 0.8645406826966063
Energy: 0.8906580347488104
Energy: 0.8645406826966063
Energy: 0.8906580347488104
Energy: 0.8645406826966063
Energy: 0.9828033895125912
Energy: 0.890647760485833
Energy: 0.9828033895125912
Energy: 0.8906997142256106
Energy: 0.9828033895125912
Energy: 0.890647760485833
Energy: 0.917022401631302
Energy: 0.8713372437885024
Energy: 0.917022401631302
Energy: 0.8213911938084192
Energy: 0.917022401631302
Energy: 0.8713372437885024
Energy: 0.8150948613641029
Energy: 0.8713369992232519
Energy: 0.8150948613641029
Energy: 0.8211365116495363
Energy: 0.8150948613641029
Energy: 0.8713369992238504
Energy: 0.8649442969020991
Energy: 0.8908897208774494
Energy: 0.8649442969020991
Energy: 0.8908897208774494
Energy: 0.8649442969020991
Energy: 0.8908897208774494
Energy: 0.8907396520797966
Energy: 1.0946366983733335
Energy: 0.8907425295400054
Energy: 1.0946366983781208
Energy: 0.8907396520797966
Energy: 1.0946366983829083
Energy: 0.9440331923642239
Energy: 0.9451486478450364
Energy: 0.9440331923642239
Energy: 0.9451486478438395
Energy: 0.9440331923642239
Energy: 0.9451486478432413
Energy: 0.8230123491996568
Energy: 0.9537707004196174
Energy: 0.8230123491996568
Energy: 0.9537707004196174
Energy: 0.8230123491996568
Energy: 0.9537707004196174
Energy: 1.0167082478605907
Energy: 0.9922724334690346
Energy: 1.0167082478605907
Energy: 0.9922724334690346
Energy: 1.0167082478605907
Energy: 0.9922724334690346
Energy: 0.8906580347488104
Energy: 0.8645406826966063
Energy: 0.8906580347488104
Energy: 0.8645406826966063
Energy: 0.8906580347488104
Energy: 0.8645406826966063
Energy: 0.9828033895125912
Energy: 0.8907199798942832
Energy: 0.9828033895125912
Energy: 0.8906699658488358
Energy: 0.9828033895125912
Energy: 0.8907199798942832
Energy: 0.917022401631302
Energy: 0.8213911938084192
Energy: 0.917022401631302
Energy: 0.8714863707838695
Energy: 0.917022401631302
Energy: 0.8213911938084192
Energy: 0.8150948613641029
Energy: 0.8211365116495363
Energy: 0.8150948613641029
Energy: 0.8713872580875479
Energy: 0.8150948613641029
Energy: 0.8211365116495363
Energy: 0.8649442969020991
Energy: 0.8908897208774494
Energy: 0.8649442969020991
Energy: 0.8908897208774494
Energy: 0.8649442969020991
Energy: 0.8908897208774494
Energy: 0.8907510772074763
Energy: 1.0946366983733335
Energy: 0.8907023857745147
Energy: 1.0946366983781208
Energy: 0.8907510772074763
Energy: 1.09463669838231
Energy: 0.9190787624330483
Energy: 0.9451486478450364
Energy: 0.9440331923642239
Energy: 0.9451486478438395
Energy: 0.9190787624330483
Energy: 0.9451486478426429
Energy: 0.9235153755492167
Energy: 0.9537707004196174
Energy: 0.8230123491996568
Energy: 0.9537707004196174
Energy: 0.9235153755492167
Energy: 0.9537707004196174
Energy: 1.0167082478605907
Energy: 0.9922724334690346
Energy: 1.0167082478605907
Energy: 0.9922724334696331
Energy: 1.0167082478599923
Energy: 0.9922724334696331
Energy: 0.8906580347488104
Energy: 0.8645406826966063
Energy: 0.8906580347488104
Energy: 0.8645406826966063
Energy: 0.8906580347488104
Energy: 0.8645406826966063
Energy: 0.9828033895125912
Energy: 0.8906477604852346
Energy: 0.9828033895125912
Energy: 0.8906997142256106
Energy: 0.9828033895125912
Energy: 0.890647760485833
Energy: 0.917022401631302
Energy: 0.8713372437885024
Energy: 0.917022401631302
Energy: 0.8213911938084192
Energy: 0.917022401631302
Energy: 0.8713372437885024
Energy: 0.8150948613641029
Energy: 0.8713369992238504
Energy: 0.8150948613641029
Energy: 0.8211365116501348
Energy: 0.8150948613641029
Energy: 0.8713369992238504
Energy: 0.8649442969020991
Energy: 0.8908897208774494
Energy: 0.8649442969020991
Energy: 0.8908897208774494
Energy: 0.8649442969020991
Energy: 0.8908897208768509
Energy: 0.8907396520797966
Energy: 1.0946366983733335
Energy: 0.890742529540604
Energy: 1.0946366983781208
Energy: 0.8907396520797966
Energy: 1.09463669838231
Energy: 0.9440331923642239
Energy: 0.9451486478450364
Energy: 0.9440331923642239
Energy: 0.9451486478438395
Energy: 0.9440331923642239
Energy: 0.9451486478426429
Energy: 0.8230123491996568
Energy: 0.9537707004196174
Energy: 0.8230123491996568
Energy: 0.9537707004196174
Energy: 0.8230123491996568
Energy: 0.9537707004196174
Energy: 1.0167082478599923
Energy: 0.9922724334690346
Energy: 1.0167082478605907
Energy: 0.9922724334690346
Energy: 1.0167082478599923
Energy: 0.9922724334690346
Energy: 0.8906580347488104
Energy: 0.8645406826966063
Energy: 0.8906580347488104
Energy: 0.8645406826966063
Energy: 0.8906580347488104
Energy: 0.8645406826966063

minimum gb energy = 0.8150948613641029 eV
minimum distance =  2.40823032440047 Angstroms
sigma value = 27


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

Energy: 0.807652183004716
Energy: 0.785393814016063
Energy: 0.8076521830061819
Energy: 0.7853938140145972
Energy: 0.807652183004716
Energy: 0.7853938140145972
Energy: 0.9273809031363057
Energy: 0.8121054383439126
Energy: 0.9273809031363057
Energy: 0.8121054383439126
Energy: 0.9273809031363057
Energy: 0.8121054383439126
Energy: 0.8201428447303097
Energy: 0.9024861450421309
Energy: 0.8201428447303097
Energy: 0.9024861450421309
Energy: 0.8201428447303097
Energy: 0.9024861450421309
Energy: 0.9097232846547927
Energy: 0.763070563083585
Energy: 0.9097232846547927
Energy: 0.763070563083585
Energy: 0.9097232846547927
Energy: 0.763070563083585
Energy: 0.9075143221894617
Energy: 0.7629432363978135
Energy: 0.9075143221894617
Energy: 0.7629432363978135
Energy: 0.9075143221894617
Energy: 0.7629432363978135
Energy: 0.9194569666253515
Energy: 0.956706960539701
Energy: 0.9194569666253515
Energy: 0.956706960539701
Energy: 0.9194569666253515
Energy: 0.956706960539701
Energy: 0.85621910043684
Energy: 0.8156035403945279
Energy: 0.856219100435374
Energy: 0.8156035403945279
Energy: 0.85621910043684
Energy: 0.8156035403945279
Energy: 0.8042264668468818
Energy: 0.7889457307861943
Energy: 0.8042264668468818
Energy: 0.7889457307861943
Energy: 0.8042264668468818
Energy: 0.7889457307861943
Energy: 0.9248154734621677
Energy: 0.8198107619946897
Energy: 0.9248154734621677
Energy: 0.8198107619932239
Energy: 0.9248154734621677
Energy: 0.8198107619815306
Energy: 0.8871142676213415
Energy: 0.9171284832578188
Energy: 0.8871142676213415
Energy: 0.9171284832578188
Energy: 0.8871142676213415
Energy: 0.9171284832578188
Energy: 0.911417832930058
Energy: 0.7633357388598273
Energy: 0.911417832930058
Energy: 0.7633357388598273
Energy: 0.786144264976615
Energy: 0.7633357388598273
Energy: 0.9542541835397089
Energy: 0.8701875711171628
Energy: 0.9542541835397089
Energy: 0.8701875711171628
Energy: 0.9542541835397089
Energy: 0.8701875711171628

minimum gb energy = 0.7629432363978135 eV
minimum distance =  2.30107039322006 Angstroms
sigma value = 9


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

Energy: 0.8001659447098102
Energy: 0.7740494200010135
Energy: 0.8001659447098102
Energy: 0.7740494200010135
Energy: 0.8001659447098102
Energy: 0.7740494200014254
Energy: 0.7689559765933998
Energy: 0.7712816009625665
Energy: 0.7689559765962828
Energy: 0.7479154184921182
Energy: 0.7689559765975184
Energy: 0.7479154184921182
Energy: 0.7099392208902715
Energy: 0.7829965252644513
Energy: 0.7099392208906834
Energy: 0.7829965252644513
Energy: 0.7099392208906834
Energy: 0.7829965252644513
Energy: 0.7246412369067156
Energy: 0.6976149643196159
Energy: 0.7246412369067156
Energy: 0.6976149643196159
Energy: 0.7246412369067156
Energy: 0.6976149643196159
Energy: 0.7797538417691319
Energy: 0.7546139202946814
Energy: 0.7797538417691319
Energy: 0.7546139202942697
Energy: 0.7797538417691319
Energy: 0.7546139202942697
Energy: 0.7887379730061315
Energy: 0.7999245317812977
Energy: 0.7887379730061315
Energy: 0.7768427596053277
Energy: 0.7887379730061315
Energy: 0.7768427596053277
Energy: 0.737861226306684
Energy: 0.8216827892298858
Energy: 0.737861226306684
Energy: 0.8216827892298858
Energy: 0.737861226306684
Energy: 0.8216827892298858
Energy: 0.6821787650205324
Energy: 0.7835874656972541
Energy: 0.6821787650205324
Energy: 0.7835874656972541
Energy: 0.6821787650205324
Energy: 0.7835874656972541
Energy: 0.7869600606953548
Energy: 0.7550402107823849
Energy: 0.7869600606957667
Energy: 0.7550402107827967
Energy: 0.7869600606961786
Energy: 0.7550402107827967
Energy: 0.7852842304505006
Energy: 0.8061701273563531
Energy: 0.7852842304505006
Energy: 0.8061701273563531
Energy: 0.7852842304505006
Energy: 0.8061701273563531
Energy: 0.7240515365694961
Energy: 0.7026091738876681
Energy: 0.7240515365694961
Energy: 0.7026091738876681
Energy: 0.7240515365694961
Energy: 0.7026091738872562
Energy: 0.7439485006211637
Energy: 0.7752346478601265
Energy: 0.7439485006211637
Energy: 0.7752346478601265
Energy: 0.7439485006211637
Energy: 0.7752346478601265
Energy: 0.7609357271009101
Energy: 0.7612115742976345
Energy: 0.7609357271009101
Energy: 0.7612115742976345
Energy: 0.7609357271004982
Energy: 0.7612115742976345
Energy: 0.7967691991874606
Energy: 0.7194023424391509
Energy: 0.7967691991874606
Energy: 0.7194023424403866
Energy: 0.7967691991874606
Energy: 0.7194023424412103
Energy: 0.7086726893409894
Energy: 0.7778740033274509
Energy: 0.7086726893405774
Energy: 0.7778740033274509
Energy: 0.7086726893409894
Energy: 0.7778740033274509
Energy: 0.7166925916146625
Energy: 0.739096646081292
Energy: 0.7166925916150744
Energy: 0.7390966460817038
Energy: 0.7166925916150744
Energy: 0.739096646081292
Energy: 0.910079753393599
Energy: 0.6977422458737748
Energy: 0.910079753393599
Energy: 0.6977422458737748
Energy: 0.910079753393599
Energy: 0.6977422458737748
Energy: 0.7184185242619988
Energy: 0.7509069779636308
Energy: 0.7184185242619988
Energy: 0.7509069779636308
Energy: 0.7184185242619988
Energy: 0.7509069779636308
Energy: 0.6798535424358348
Energy: 0.91782734966073
Energy: 0.6798535424358348
Energy: 0.91782734966073
Energy: 0.6798535424362467
Energy: 0.91782734966073
Energy: 0.840444180098667
Energy: 0.6964146957467883
Energy: 0.840444180098667
Energy: 0.6964146957467883
Energy: 0.8404441800982551
Energy: 0.6964146957467883
Energy: 0.6798720861972165
Energy: 0.9176879084583031
Energy: 0.6798720861976284
Energy: 0.9176879084583031
Energy: 0.6798720861976284
Energy: 0.9176879084583031
Energy: 0.7184355000421484
Energy: 0.750964167273686
Energy: 0.7184355000421484
Energy: 0.750964167273686
Energy: 0.7184355000421484
Energy: 0.7509641672740979
Energy: 0.909988380249167
Energy: 0.6979300838535772
Energy: 0.9099883802487551
Energy: 0.6979300838535772
Energy: 0.9099883802487551
Energy: 0.6979300838535772
Energy: 0.7169905163555905
Energy: 0.7825247280096052
Energy: 0.7169905163555905
Energy: 0.7825247280096052
Energy: 0.7169905163560024
Energy: 0.7825247280096052
Energy: 0.7086618981799147
Energy: 0.7772001570245866
Energy: 0.7086618981799147
Energy: 0.7772001570237629
Energy: 0.7086618981803265
Energy: 0.7772001570237629
Energy: 0.7969165977192549
Energy: 0.7795559695878826
Energy: 0.7969165977192549
Energy: 0.7795559695998268
Energy: 0.7969165977192549
Energy: 0.7795559695961201
Energy: 0.7612396006767892
Energy: 0.7611916363101553
Energy: 0.7612396006767892
Energy: 0.7611916363097435
Energy: 0.7612396006767892
Energy: 0.7611916363097435
Energy: 0.743955728773231
Energy: 0.7532317648582986
Energy: 0.7439557287728191
Energy: 0.7532317648582986
Energy: 0.7439557287728191
Energy: 0.7532317648582986
Energy: 0.7240568258784168
Energy: 0.7024669625843218
Energy: 0.7240568258788286
Energy: 0.7024669625847337
Energy: 0.7240568258784168
Energy: 0.7024669625847337
Energy: 0.7849521452288257
Energy: 0.7323704916088776
Energy: 0.7849521452284138
Energy: 0.7323704916088776
Energy: 0.7849521452288257
Energy: 0.7323704916088776
Energy: 0.7870071936913646
Energy: 0.7551056719068637
Energy: 0.7870071936909527
Energy: 0.7551056719068637
Energy: 0.7870071936909527
Energy: 0.7551056719068637
Energy: 0.6821777859807696
Energy: 0.7835223910507171
Energy: 0.6821777859803577
Energy: 0.7835223910507171
Energy: 0.6821777859807696
Energy: 0.7835223910507171
Energy: 0.7379779036827355
Energy: 0.8215076717917633
Energy: 0.7379779036827355
Energy: 0.8215076717917633
Energy: 0.7379779036827355
Energy: 0.8215076717917633
Energy: 0.7886917778114744
Energy: 0.7685318389412502
Energy: 0.7886917778114744
Energy: 0.7685318389416621
Energy: 0.7886917778110626
Energy: 0.7685318389416621
Energy: 0.7797664025179448
Energy: 0.7544452679064833
Energy: 0.7797664025179448
Energy: 0.754445267906895
Energy: 0.7797664025179448
Energy: 0.754445267906895
Energy: 0.7248424142592212
Energy: 0.6975805101480617
Energy: 0.7248424142592212
Energy: 0.6975805101480617
Energy: 0.7248424142592212
Energy: 0.6975805101480617
Energy: 0.7098745598611165
Energy: 0.7832210636785755
Energy: 0.7098745598611165
Energy: 0.7832210636785755
Energy: 0.7098745598611165
Energy: 0.7832210636785755
Energy: 0.769742190978834
Energy: 0.6971217873904775
Energy: 0.7697421909767747
Energy: 0.6971217873904775
Energy: 0.7697421909705967
Energy: 0.6971217873904775
Energy: 0.8001659447098102
Energy: 0.7740494200010135
Energy: 0.8001659447098102
Energy: 0.7740494200010135
Energy: 0.8001659447098102
Energy: 0.7740494200010135
Energy: 0.7689559766852088
Energy: 0.7479154184921182
Energy: 0.7689559766856207
Energy: 0.7479154184921182
Energy: 0.7689559766806782
Energy: 0.7479154184921182
Energy: 0.7099392208906834
Energy: 0.782996525265275
Energy: 0.7099392208902715
Energy: 0.7829965252644513
Energy: 0.7099392208902715
Energy: 0.782996525265275
Energy: 0.7246412369071275
Energy: 0.6976149643196159
Energy: 0.7246412369067156
Energy: 0.6976149643196159
Energy: 0.7246412369071275
Energy: 0.6976149643196159
Energy: 0.7797538417691319
Energy: 0.7546139202942697
Energy: 0.7797538417691319
Energy: 0.7546139202942697
Energy: 0.7797538417691319
Energy: 0.7546139202942697

minimum gb energy = 0.6798535424358348 eV
minimum distance =  2.34591667140495 Angstroms
sigma value = 57


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

Energy: 0.6948828117910646
Energy: 0.6407882890511464
Energy: 0.3458346124601349
Energy: 0.640788289052084
Energy: 0.6948828117910646
Energy: 0.6407882890511464
Energy: 0.7359833841649182
Energy: 0.6322131818385479
Energy: 0.7359833841649182
Energy: 0.6322248362149775
Energy: 0.7359833841649182
Energy: 0.6322131818385479
Energy: 0.6801974232238905
Energy: 0.844067155564936
Energy: 0.6801974232229528
Energy: 0.6151631815459634
Energy: 0.6801974232238905
Energy: 0.844067155564936
Energy: 0.6419642672995551
Energy: 0.4618119641434942
Energy: 0.6419642672995551
Energy: 0.46179393369868693
Energy: 0.6419642672995551
Energy: 0.4618119641434942
Energy: 0.4382804381733655
Energy: 0.7403960737014638
Energy: 0.4382804381733655
Energy: 0.7403960737014638
Energy: 0.4382804381733655
Energy: 0.7403960737014638
Energy: 0.5783804333314506
Energy: 0.6806400160817838
Energy: 0.3455570209058667
Energy: 0.6806400160817838
Energy: 0.5783804333314506
Energy: 0.6806400160817838
Energy: 0.5784069037388978
Energy: 0.38754739478260125
Energy: 0.3454890545448913
Energy: 0.38754739478260125
Energy: 0.5784069037388978
Energy: 0.3875473947835388
Energy: 0.7352715036563572
Energy: 0.4407894869688512
Energy: 0.7352715036563572
Energy: 0.4407894869688512
Energy: 0.7352715036563572
Energy: 0.4407894869688512
Energy: 0.6430575679715889
Energy: 0.4617805597875763
Energy: 0.6430575679715889
Energy: 0.4617876729485032
Energy: 0.6430575679715889
Energy: 0.4617805597866388
Energy: 0.38872559631818876
Energy: 0.7761915540293838
Energy: 0.38872559631818876
Energy: 0.7761915540293838
Energy: 0.38872559631818876
Energy: 0.7761915540293838
Energy: 0.438161503146434
Energy: 0.7623528613329003
Energy: 0.438161503146434
Energy: 0.7623528613329003
Energy: 0.438161503146434
Energy: 0.7623528613329003
Energy: 0.6948828117910646
Energy: 0.6407882890511464
Energy: 0.3458346124601349
Energy: 0.6407882890511464
Energy: 0.6948828117910646
Energy: 0.6407882890511464
Energy: 0.7359833841649182
Energy: 0.6322131818385479
Energy: 0.7359833841649182
Energy: 0.6322248362149775
Energy: 0.7359833841649182
Energy: 0.6322131818385479
Energy: 0.6801974232238905
Energy: 0.8440671555630609
Energy: 0.6801974232229528
Energy: 0.6151631815469008
Energy: 0.6801974232229528
Energy: 0.844067155564936
Energy: 0.6419642672995551
Energy: 0.4618119641434942
Energy: 0.6419642672995551
Energy: 0.46179393369868693
Energy: 0.6419642672995551
Energy: 0.4618119641434942
Energy: 0.4382804381733655
Energy: 0.7403960737014638
Energy: 0.4382804381733655
Energy: 0.7403960737014638
Energy: 0.4382804381733655
Energy: 0.7403960737014638
Energy: 0.5783804333314506
Energy: 0.6806400160817838
Energy: 0.3455570209058667
Energy: 0.6806400160817838
Energy: 0.5783804333323883
Energy: 0.6806400160817838
Energy: 0.5784069037388978
Energy: 0.38754739478260125
Energy: 0.3454890545448913
Energy: 0.38754739478260125
Energy: 0.5784069037388978
Energy: 0.38754739478260125
Energy: 0.7352715036563572
Energy: 0.4407894869688512
Energy: 0.7352715036563572
Energy: 0.4407894869688512
Energy: 0.7352715036563572
Energy: 0.4407894869688512

minimum gb energy = 0.3454890545448913 eV
minimum distance =  2.44243574849202 Angstroms
sigma value = 11


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

Energy: 0.6177046056837352
Energy: 0.7567921673037188
Energy: 0.6177046056837352
Energy: 0.7567921673037188
Energy: 0.617704605684422
Energy: 0.7567921673037188
Energy: 0.7679328197827029
Energy: 0.6498798780525972
Energy: 0.7679328197827029
Energy: 0.649879878053284
Energy: 0.7679328197827029
Energy: 0.649879878053284
Energy: 0.7707227555973591
Energy: 0.8619426529327839
Energy: 0.7707227555973591
Energy: 0.8619426529327839
Energy: 0.7707227555973591
Energy: 0.8619426529327839
Energy: 0.8612023655697107
Energy: 0.5766272617577636
Energy: 0.8612023655697107
Energy: 0.5766272617577636
Energy: 0.8612023655697107
Energy: 0.5766272617577636
Energy: 0.7311066365266056
Energy: 0.5600635666647289
Energy: 0.7311066365266056
Energy: 0.5600635666647289
Energy: 0.7311066365266056
Energy: 0.5600635666647289
Energy: 0.6812403451618135
Energy: 0.5696928410437563
Energy: 0.6812403451611267
Energy: 0.5696928410437563
Energy: 0.6812403451618135
Energy: 0.5696928410437563
Energy: 0.610746698365048
Energy: 0.6037700106262303
Energy: 0.610746698365048
Energy: 0.603770010626917
Energy: 0.6107466983657348
Energy: 0.6037700106262303
Energy: 0.7562547567544878
Energy: 0.5319081184143644
Energy: 0.7562547567544878
Energy: 0.5319081184143644
Energy: 0.7562547567544878
Energy: 0.5319081184136775
Energy: 0.7524310428852267
Energy: 0.5365770920826342
Energy: 0.7524310428859136
Energy: 0.5365770920826342
Energy: 0.7524310428859136
Energy: 0.5365770920826342
Energy: 0.5424022059033625
Energy: 0.8133152280037146
Energy: 0.5424022059033625
Energy: 0.8133152280037146
Energy: 0.5424022059033625
Energy: 0.8133152280037146
Energy: 0.6847825493549133
Energy: 0.6891899019833355
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Energy: 0.6891899019833355
Energy: 0.6847825493549133
Energy: 0.6891899019833355
Energy: 0.6549807638878459
Energy: 0.5625220102806741
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Energy: 0.5625220102806741
Energy: 0.6549807638878459
Energy: 0.5625220102806741
Energy: 0.7681705780851501
Energy: 0.5821412489980259
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Energy: 0.5821412489980259
Energy: 0.7681705780851501
Energy: 0.5821412489980259
Energy: 0.7567404121108532
Energy: 0.8380343158729339
Energy: 0.7567404121108532
Energy: 0.8380343158729339
Energy: 0.75674041211154
Energy: 0.8380343158729339
Energy: 0.7665941355007787
Energy: 0.6475692908748374
Energy: 0.7665941355007787
Energy: 0.6475692908748374
Energy: 0.7665941355007787
Energy: 0.6475692908748374
Energy: 0.5917153933279314
Energy: 0.7545148096082605
Energy: 0.5917153933279314
Energy: 0.7545148096082605
Energy: 0.5917153933279314
Energy: 0.7545148096082605
Energy: 0.6608784775720092
Energy: 0.6517099163893456
Energy: 0.6608784775720092
Energy: 0.6517099163886588
Energy: 0.6608784775720092
Energy: 0.6517099163893456
Energy: 0.9508359637694316
Energy: 0.7184448544704282
Energy: 0.9508359637694316
Energy: 0.7184448544704282
Energy: 0.9508359637694316
Energy: 0.718444854471115
Energy: 0.6972122135244176
Energy: 0.5722718819958901
Energy: 0.6972122135244176
Energy: 0.5722718819958901
Energy: 0.6972122135244176
Energy: 0.5722718819958901
Energy: 0.5807682630103436
Energy: 0.6632369630735933
Energy: 0.5807682631036833
Energy: 0.6632369630735933
Energy: 0.5807682629959212
Energy: 0.6632369630735933
Energy: 0.5446522203832044
Energy: 0.5721727724471973
Energy: 0.5446522203832044
Energy: 0.5721727724471973
Energy: 0.5446522203832044
Energy: 0.5721727724471973
Energy: 0.5776557808285754
Energy: 0.6037032130246831
Energy: 0.5776557808285754
Energy: 0.6037032130239964
Energy: 0.5776557808292622
Energy: 0.6037032130246831
Energy: 0.7574559050429545
Energy: 0.6622769986344066
Energy: 0.7574559050429545
Energy: 0.6622769986337197
Energy: 0.7574559050429545
Energy: 0.6622769986337197
Energy: 0.6754291487574109
Energy: 0.6439923424838491
Energy: 0.6754291487580978
Energy: 0.6439923424845359
Energy: 0.6754291487580978
Energy: 0.6439923424838491
Energy: 0.5446731810872001
Energy: 0.8130988088671686
Energy: 0.5446731810872001
Energy: 0.8130988088671686
Energy: 0.5446731810872001
Energy: 0.8130988088664818
Energy: 1.0672497252338515
Energy: 0.6878333517924172
Energy: 1.0672497252338515
Energy: 0.6878333517924172
Energy: 1.0672497252338515
Energy: 0.6878333517924172

minimum gb energy = 0.5319081184136775 eV
minimum distance =  2.34852048791013 Angstroms
sigma value = 41


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

Energy: 0.7463226079968102
Energy: 0.6288822663344715
Energy: 0.7463226079968102
Energy: 0.6288822663344715
Energy: 0.7463226079968102
Energy: 0.6288822663344715
Energy: 0.8186902080618619
Energy: 0.7645069852557869
Energy: 0.8186902080618619
Energy: 0.7645069852557869
Energy: 0.8186902080618619
Energy: 0.7645069852557869
Energy: 0.725377640347653
Energy: 0.7154948659617968
Energy: 0.725377640347653
Energy: 0.7154948659617968
Energy: 0.725377640347653
Energy: 0.7154948659617968
Energy: 0.6491541324112291
Energy: 0.6060726432274818
Energy: 0.6491541324112291
Energy: 0.6060726432280232
Energy: 0.6491541324112291
Energy: 0.6060726432280232
Energy: 0.603591643322488
Energy: 0.6572080705844631
Energy: 0.603591643322488
Energy: 0.6572080705844631
Energy: 0.603591643322488
Energy: 0.6572080705844631
Energy: 0.7867712773070914
Energy: 0.7735527401845155
Energy: 0.7867712773070914
Energy: 0.7735527401845155
Energy: 0.7867712773070914
Energy: 0.7735527401845155
Energy: 0.6031947011327203
Energy: 0.8943589731865476
Energy: 0.6031947011327203
Energy: 0.8943589731870889
Energy: 0.6031947011321792
Energy: 0.8943589731870889
Energy: 0.5830249417332487
Energy: 0.6058583555873992
Energy: 0.5830249417332487
Energy: 0.6058583555873992
Energy: 0.5830249417332487
Energy: 0.6058583555873992
Energy: 0.6145465979571483
Energy: 0.6502968608269876
Energy: 0.6145465979571483
Energy: 0.6502968608269876
Energy: 0.6145465979571483
Energy: 0.6502968608269876
Energy: 0.6399779393982722
Energy: 0.6591720344405166
Energy: 0.6399779393982722
Energy: 0.6591720344405166
Energy: 0.6399779393982722
Energy: 0.6591720344405166
Energy: 0.645394617350069
Energy: 0.6689500416668431
Energy: 0.645394617350069
Energy: 0.6689500416668431
Energy: 0.645394617350069
Energy: 0.6689500416668431
Energy: 0.5782360839998957
Energy: 0.7489399262941107
Energy: 0.5782360839998957
Energy: 0.7489399262941107
Energy: 0.5782360839998957
Energy: 0.7489399262941107
Energy: 0.5822222135186143
Energy: 0.6052553609277871
Energy: 0.5822222135186143
Energy: 0.6052553609272457
Energy: 0.5822222135186143
Energy: 0.6052553609272457
Energy: 0.5700621480305383
Energy: 0.6603140583975381
Energy: 0.5700621480305383
Energy: 0.6603140583969968
Energy: 0.5700621480305383
Energy: 0.6603140583969968
Energy: 0.7837222215506208
Energy: 0.7705705612141601
Energy: 0.7837222215506208
Energy: 0.770570561213619
Energy: 0.7837222215506208
Energy: 0.770570561213619
Energy: 0.5612401568544081
Energy: 0.773788375741615
Energy: 0.5612401568544081
Energy: 0.7737883757421562
Energy: 0.5612401568544081
Energy: 0.7737883757421562
Energy: 0.5915429608543962
Energy: 0.6051602411174973
Energy: 0.5915429608543962
Energy: 0.6051602411174973
Energy: 0.5915429608543962
Energy: 0.6051602411174973
Energy: 0.6048331711108758
Energy: 0.7158676445364792
Energy: 0.6048331711108758
Energy: 0.7158676445364792
Energy: 0.6048331711108758
Energy: 0.7158676445364792
Energy: 0.65870146996728
Energy: 0.7594492154996282
Energy: 0.65870146996728
Energy: 0.7594492154996282
Energy: 0.65870146996728
Energy: 0.7594492154996282
Energy: 0.64079024750443
Energy: 0.7605820807175594
Energy: 0.64079024750443
Energy: 0.7605820807175594
Energy: 0.64079024750443
Energy: 0.8361084846067264
Energy: 0.5923744637468754
Energy: 0.6683297157919104
Energy: 0.5923744637468754
Energy: 0.6683297158070421
Energy: 0.5923744637468754
Energy: 0.6683297158048769
Energy: 0.6177267911603448
Energy: 0.8450626038002051
Energy: 0.6177267911603448
Energy: 0.8450626038002051
Energy: 0.6177267911598034
Energy: 0.8450626038002051
Energy: 0.6504259395831028
Energy: 0.6104825528293559
Energy: 0.6504259395831028
Energy: 0.6104825528293559
Energy: 0.6504259395831028
Energy: 0.6104825528293559
Energy: 0.561230200007827
Energy: 0.793853237957087
Energy: 0.5612302000072856
Energy: 0.7938532379565459
Energy: 0.5612302000072856
Energy: 0.8263901234879006
Energy: 0.5620815543748449
Energy: 0.9134100857728648
Energy: 0.5620815543748449
Energy: 0.9134100857728648
Energy: 0.5620815543753861
Energy: 0.9134100857728648
Energy: 0.6015391104900322
Energy: 0.6006118804918413
Energy: 0.6015391104900322
Energy: 0.6006118804918413
Energy: 0.6015391104900322
Energy: 0.6006118804913
Energy: 0.5829249397165823
Energy: 0.6108458041570706
Energy: 0.5829249397165823
Energy: 0.6108458041570706
Energy: 0.5829249397165823
Energy: 0.6108458041570706
Energy: 0.6136657796160206
Energy: 0.6679940998033106
Energy: 0.6136657796160206
Energy: 0.6679940998033106
Energy: 0.6136657796160206
Energy: 0.7053238860457361
Energy: 0.640174847839882
Energy: 0.7608142558398302
Energy: 0.640174847839882
Energy: 0.7608142558403714
Energy: 0.640174847839882
Energy: 0.7608142558398302
Energy: 0.7054865152744784
Energy: 0.5637565237846213
Energy: 0.7054865152744784
Energy: 0.5637565237846213
Energy: 0.7054865152750197
Energy: 0.5637565237846213
Energy: 0.5786855480462597
Energy: 0.7466251381438184
Energy: 0.5786855480462597
Energy: 0.7466251381438184
Energy: 0.5786855480462597
Energy: 0.7466251381438184
Energy: 0.6194119195247387
Energy: 0.6424147163959755
Energy: 0.6194119195247387
Energy: 0.6424147163959755
Energy: 0.6194119195252799
Energy: 0.6424147163959755
Energy: 0.5617066356291192
Energy: 0.6175357150767793
Energy: 0.5617066356291192
Energy: 0.617535715076238
Energy: 0.5617066356291192
Energy: 0.6175357150756967

minimum gb energy = 0.5612302000072856 eV
minimum distance =  2.3802066327426 Angstroms
sigma value = 33


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

Energy: 0.7192994531627829
Energy: 0.6463571353276443
Energy: 0.7192994531627829
Energy: 0.6463571353276443
Energy: 0.7192994531627829
Energy: 0.6463571353276443
Energy: 0.7107773674662937
Energy: 0.5904716993307239
Energy: 0.7107773674662937
Energy: 0.5904716993307239
Energy: 0.7107773674666735
Energy: 0.5904716993307239
Energy: 0.6479737926603589
Energy: 0.7329619470929354
Energy: 0.6479737926603589
Energy: 0.7329619470933153
Energy: 0.6479737926603589
Energy: 0.7329619470933153
Energy: 0.6466102746904169
Energy: 0.6316653222575033
Energy: 0.6466102746907968
Energy: 0.6316653222575033
Energy: 0.6466102746904169
Energy: 0.6316653222575033
Energy: 0.6555819647082036
Energy: 0.6655751849147676
Energy: 0.6555819647082036
Energy: 0.6655751849140079
Energy: 0.6555819647082036
Energy: 0.6655751849151476
Energy: 0.8929429764326221
Energy: 0.6499959544141383
Energy: 0.8929429764318624
Energy: 0.6499959544141383
Energy: 0.8929429764318624
Energy: 0.6499959544141383
Energy: 0.6344403849967363
Energy: 0.6972219496580981
Energy: 0.6344403849967363
Energy: 0.6972219496580981
Energy: 0.6344403849967363
Energy: 0.6972219496580981
Energy: 0.6714518232638199
Energy: 0.666073371352378
Energy: 0.6714518232634401
Energy: 0.6660733713519982
Energy: 0.6714518232634401
Energy: 0.6660733713519982
Energy: 0.7500112191724657
Energy: 0.6724472130442846
Energy: 0.7500112191724657
Energy: 0.6724472130442846
Energy: 0.7500112191724657
Energy: 0.6724472130442846
Energy: 0.9386906640974422
Energy: 0.633221294697839
Energy: 0.9386906640970624
Energy: 0.6332212946974592
Energy: 0.9386906640970624
Energy: 0.633221294697839
Energy: 0.6734948537330443
Energy: 0.6700883449323218
Energy: 0.6734948537330443
Energy: 0.6700883449323218
Energy: 0.6734948537330443
Energy: 0.6700883449323218
Energy: 1.097727937206666
Energy: 0.6318949225408137
Energy: 1.097727937206286
Energy: 0.6318949225404338
Energy: 1.097727937206286
Energy: 0.6318949225408137
Energy: 0.6725371705579818
Energy: 0.672371107385857
Energy: 0.6725371705579818
Energy: 0.6723711073869968
Energy: 0.6725371705579818
Energy: 0.672371107385857
Energy: 0.6908771132020554
Energy: 0.6719116311314322
Energy: 0.6908771132024353
Energy: 0.6719116311314322
Energy: 0.6908771132020554
Energy: 0.6719116311318121
Energy: 0.6777975937061136
Energy: 0.6311330939711128
Energy: 0.6777975937061136
Energy: 0.6311330939711128
Energy: 0.6777975937061136
Energy: 0.6311330939711128
Energy: 0.6386713676276564
Energy: 0.898095247401111
Energy: 0.6386713676272764
Energy: 0.898095247401111
Energy: 0.6386713676276564
Energy: 0.8980952474014908
Energy: 0.6911816848807996
Energy: 0.616841373966096
Energy: 0.6911816848804196
Energy: 0.616841373966096
Energy: 0.6911816848804196
Energy: 0.616841373966096
Energy: 0.6255464293990421
Energy: 0.6494311163859992
Energy: 0.6255464293990421
Energy: 0.6494311163863791
Energy: 0.6255464293990421
Energy: 0.6494311163859992
Energy: 0.7376801522692672
Energy: 0.6473684509112781
Energy: 0.7376801522692672
Energy: 0.6473684509112781
Energy: 0.7376801522692672
Energy: 0.6473684509112781
Energy: 0.6847511295146944
Energy: 0.6551152912169644
Energy: 0.6847511294330527
Energy: 0.6551152912169644
Energy: 0.684751129452427
Energy: 0.6551152912165845
Energy: 0.617358599869076
Energy: 0.6842320452421663
Energy: 0.617358599869076
Energy: 0.6842320452421663
Energy: 0.6173585998686962
Energy: 0.6842320452421663
Energy: 0.607562425594434
Energy: 0.712244232373291
Energy: 0.607562425594434
Energy: 0.7122442323729112
Energy: 0.607562425594434
Energy: 0.7122442323729112
Energy: 0.6785908467986954
Energy: 0.5975271083816707
Energy: 0.6785908467983154
Energy: 0.5975271083816707
Energy: 0.6785908467979355
Energy: 0.5975271083816707
Energy: 0.615788507266749
Energy: 0.6453776271061232
Energy: 0.6157885072663691
Energy: 0.6453776271061232
Energy: 0.6157885072663691
Energy: 0.6453776271061232
Energy: 0.6649743732656808
Energy: 0.6166887257050919
Energy: 0.664974373259637
Energy: 0.616688725704712
Energy: 0.6649743732588773
Energy: 0.616688725704712
Energy: 0.6448322627143434
Energy: 0.8887464358102982
Energy: 0.6448322627143434
Energy: 0.8887464358102982
Energy: 0.6448322627143434
Energy: 0.8887464358102982
Energy: 0.7090794373512216
Energy: 0.6389215209078065
Energy: 0.7090794373512216
Energy: 0.6389215209078065
Energy: 0.7090794373512216
Energy: 0.6389215209078065
Energy: 0.683516299972143
Energy: 0.6164032808875027
Energy: 0.6835162999725231
Energy: 0.6164032808875027
Energy: 0.6835162999725231
Energy: 0.6164032808875027
Energy: 0.6740254342191175
Energy: 0.6946615750610634
Energy: 0.6740254342191175
Energy: 0.6946615750610634
Energy: 0.6740254342191175
Energy: 0.6946615750606835
Energy: 0.6284199054502856
Energy: 0.9341373581896296
Energy: 0.6284199054502856
Energy: 0.9341373581896296
Energy: 0.6284199054502856
Energy: 0.9341373581896296
Energy: 0.646014874951426
Energy: 0.6209480284227611
Energy: 0.646014874951426
Energy: 0.6209480284227611
Energy: 0.646014874951426
Energy: 0.6209480284227611
Energy: 0.6157885448701241
Energy: 0.6549242236354433
Energy: 0.6157885448701241
Energy: 0.6549242236597563
Energy: 0.6157885448701241
Energy: 0.6549242236362031
Energy: 0.621744772778926
Energy: 0.6392052700804659
Energy: 0.6217447727785462
Energy: 0.6392052700804659
Energy: 0.621744772778926
Energy: 0.6392052700804659
Energy: 0.6770099283984709
Energy: 0.683698426082448
Energy: 0.6770099283969514
Energy: 0.683698426082448
Energy: 0.6770099283977111
Energy: 0.683698426082448
Energy: 0.6771739321030527
Energy: 0.6836623999149937
Energy: 0.6771739321030527
Energy: 0.6836623999149937
Energy: 0.6771739321030527
Energy: 0.6836623999149937
Energy: 0.6227397170960439
Energy: 0.639233631179547
Energy: 0.6227397170941446
Energy: 0.6392336311791671
Energy: 0.6227397170949043
Energy: 0.639233631179547
Energy: 0.6157750743143245
Energy: 0.6552371195261234
Energy: 0.6157750743143245
Energy: 0.6552371195037445
Energy: 0.6157750743147046
Energy: 0.6552371194995658
Energy: 0.646045734590928
Energy: 0.6209378810299357
Energy: 0.646045734590928
Energy: 0.6209378810303157
Energy: 0.646045734590548
Energy: 0.6209378810299357
Energy: 0.6284150228473192
Energy: 0.9340651984255596
Energy: 0.6284150228469393
Energy: 0.9340651984251798
Energy: 0.6284150228473192
Energy: 0.9340651984255596
Energy: 0.673992088658403
Energy: 0.6745832272586715
Energy: 0.6739920886587829
Energy: 0.6745832272089405
Energy: 0.6739920886587829
Energy: 0.6745832272750069
Energy: 0.6834713026594647
Energy: 0.6160041619032862
Energy: 0.6834713026598447
Energy: 0.6160041619032862
Energy: 0.6834713026598447
Energy: 0.6160041619032862
Energy: 0.7092460782642624
Energy: 0.6390155603315445
Energy: 0.7092460782646424
Energy: 0.6390155603315445
Energy: 0.7092460782642624
Energy: 0.6390155603319244
Energy: 0.6449870130875045
Energy: 0.8886862638250753
Energy: 0.6449870130875045
Energy: 0.8886862638250753
Energy: 0.6449870130875045
Energy: 0.8886862638250753
Energy: 0.6646854535592365
Energy: 0.61668267394734
Energy: 0.664685453557717
Energy: 0.61668267394734
Energy: 0.664685453557717
Energy: 0.61668267394734
Energy: 0.6157464283014741
Energy: 0.6454545396659088
Energy: 0.6157464283014741
Energy: 0.6454545396655289
Energy: 0.6157464283014741
Energy: 0.6454545396659088
Energy: 0.6782938575610519
Energy: 0.5974816723602904
Energy: 0.6782938575610519
Energy: 0.5974816723602904
Energy: 0.678293857560672
Energy: 0.5974816723606702
Energy: 0.6076838050981153
Energy: 0.7127892349323541
Energy: 0.6076838050981153
Energy: 0.7127892349323541
Energy: 0.6076838050981153
Energy: 0.712789234932734

minimum gb energy = 0.5904716993307239 eV
minimum distance =  2.37035236847191 Angstroms
sigma value = 67


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

Energy: 0.7604567018036303
Energy: 0.6897019333172713
Energy: 0.7604567018038899
Energy: 0.6897019333172713
Energy: 0.7604567018036303
Energy: 0.6897019333172713
Energy: 0.7185312064742816
Energy: 0.6221573074062363
Energy: 0.7185312064742816
Energy: 0.6221573074059767
Energy: 0.7185312064742816
Energy: 0.6221573074062363
Energy: 0.9286747085150291
Energy: 0.8106052065883474
Energy: 0.7010065155753987
Energy: 0.8106052065880878
Energy: 0.7010065155756583
Energy: 0.8106052065883474
Energy: 0.7184754366421638
Energy: 0.6222475976900377
Energy: 0.7184754366421638
Energy: 0.6222475976900377
Energy: 0.7184754366419042
Energy: 0.6222475976900377
Energy: 0.7604567018038899
Energy: 0.6897019333172713
Energy: 0.7604567018038899
Energy: 0.6897019333172713
Energy: 0.7604567018038899
Energy: 0.6897019333172713
Energy: 0.7185312064742816
Energy: 0.6221573074059767
Energy: 0.7185312064745124
Energy: 0.6221573074062363
Energy: 0.718531206474022
Energy: 0.6221573074059767
Energy: 0.9286747085150291
Energy: 0.8106052065880878
Energy: 0.701006515575139
Energy: 0.8106052065883474
Energy: 0.7010065155756583
Energy: 0.8106052065883474

minimum gb energy = 0.6221573074059767 eV
minimum distance =  2.38092556547757 Angstroms
sigma value = 3


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

Energy: 0.9211625714325357
Energy: 0.8290082085661138
Energy: 0.8858993036731848
Energy: 0.8290082085657997
Energy: 0.9211625714329125
Energy: 0.8290082085661138
Energy: 0.8273492626824579
Energy: 0.7618879899105163
Energy: 0.8273492626828348
Energy: 0.7618879899105163
Energy: 0.8273492626824579
Energy: 0.7618879899098252
Energy: 0.8515089592630946
Energy: 0.9011352137436416
Energy: 0.851352509465397
Energy: 0.9011352137440183
Energy: 0.8515089592630946
Energy: 0.9011352137440183
Energy: 0.8206324173592897
Energy: 0.8318883848744937
Energy: 0.8206324173592897
Energy: 0.737548795160375
Energy: 0.8206324173592897
Energy: 0.7375487951617569
Energy: 0.8451261986976637
Energy: 0.8449690613748893
Energy: 0.8451261986976637
Energy: 0.8449690613752033
Energy: 0.8451261986976637
Energy: 0.8449690613748893
Energy: 0.7971277251645549
Energy: 0.8005715291799125
Energy: 0.797127725164869
Energy: 0.8005715291809175
Energy: 0.7971277251645549
Energy: 0.8005715291799125
Energy: 0.8694883780188911
Energy: 0.8204500092156282
Energy: 0.8701378620513389
Energy: 0.8204500092055772
Energy: 0.869488378019268
Energy: 0.8204500091845329
Energy: 0.7532815316341862
Energy: 0.8437070034635205
Energy: 0.7532815316341862
Energy: 0.8437070034635205
Energy: 0.7532815316341862
Energy: 0.8437070034635205
Energy: 0.8248114239399654
Energy: 0.7998763500310161
Energy: 0.8248114239399654
Energy: 0.7998763500310161
Energy: 0.8248114239395885
Energy: 0.7998763500310161
Energy: 0.8282248351107264
Energy: 0.8005874621502008
Energy: 0.8282248351107264
Energy: 0.8005874621502008
Energy: 0.8282248351107264
Energy: 0.8005874621505775
Energy: 0.789161844625122
Energy: 0.8841433619983947
Energy: 0.7891618446254988
Energy: 0.8841433619987088
Energy: 0.7891618446254988
Energy: 0.8841433619987088
Energy: 0.7847924321889174
Energy: 0.8502917665955062
Energy: 0.784796527920582
Energy: 0.8204296481926077
Energy: 0.7847924321889174
Energy: 0.8204296480941705
Energy: 0.8592988469966755
Energy: 0.7645715037575487
Energy: 0.8592988469963614
Energy: 0.7645715037571718
Energy: 0.8592988469959842
Energy: 0.7645715037575487
Energy: 0.8037583105797259
Energy: 0.8127009231512325
Energy: 0.8037583105800401
Energy: 0.8127009231512325
Energy: 0.8037583105793491
Energy: 0.8127009231515466
Energy: 0.8628981417729387
Energy: 0.7944070328909673
Energy: 0.8628981417725616
Energy: 0.7944070328895851
Energy: 0.8628981417729387
Energy: 0.7944070328919722
Energy: 0.7990082761991404
Energy: 0.8276444556260101
Energy: 0.7990082761991404
Energy: 0.8276444556260101
Energy: 0.7990082761991404
Energy: 0.8276444556260101
Energy: 0.8849977547496581
Energy: 0.7627123990043408
Energy: 0.8849977547493442
Energy: 0.7627123990046549
Energy: 0.8849977547493442
Energy: 0.7627123990039639
Energy: 0.8148015513813605
Energy: 0.8624922754846017
Energy: 0.8148015513813605
Energy: 0.8624922754849784
Energy: 0.8148015513813605
Energy: 0.8624922754849784
Energy: 0.8155559439661288
Energy: 0.8829182436244868
Energy: 0.8155559439650609
Energy: 0.8829182436244868
Energy: 0.8155559439661288
Energy: 0.8829182436241726
Energy: 0.7851857838464146
Energy: 0.8185779089814892
Energy: 0.7851857838464146
Energy: 0.8185779089814892
Energy: 0.7851857838467288
Energy: 0.8185779089814892
Energy: 0.8868969581968786
Energy: 0.8021466512057231
Energy: 0.8870924239271532
Energy: 0.8021466512057231
Energy: 0.8868969565796084
Energy: 0.8021466512057231
Energy: 0.7924507257754162
Energy: 0.8433429541095157
Energy: 0.7922114253855638
Energy: 0.8433429541085106
Energy: 0.7924507257747253
Energy: 0.8433429541095157
Energy: 0.8177294353322999
Energy: 0.819095094496414
Energy: 0.8177294353322999
Energy: 0.819095094496414
Energy: 0.8177294353326138
Energy: 0.8190950944967909
Energy: 0.7849770713166605
Energy: 0.7659715698687872
Energy: 0.7849770713166605
Energy: 0.765971569868473
Energy: 0.7849770713166605
Energy: 0.7659715698687872
Energy: 0.892482466038898
Energy: 0.8023502701102003
Energy: 0.892482466038584
Energy: 0.8023502701105772
Energy: 0.892482466038898
Energy: 0.8023502701105772
Energy: 0.8008402492070303
Energy: 0.8278552989413459
Energy: 0.7833554866729497
Energy: 0.8278552989413459
Energy: 0.8008402492070303
Energy: 0.8278552989413459
Energy: 0.7857526414400189
Energy: 0.836680703987515
Energy: 0.785752641439328
Energy: 0.836680703988206
Energy: 0.785752641439642
Energy: 0.8366807039878291
Energy: 0.830085948565825
Energy: 0.7395314567910445
Energy: 0.830085948565825
Energy: 0.7395314567910445
Energy: 0.830085948565825
Energy: 0.7395314567910445
Energy: 0.8041392137679614
Energy: 0.7628645055514832
Energy: 0.8041392137679614
Energy: 0.7628645055514832
Energy: 0.8041392137679614
Energy: 0.7628645055514832
Energy: 0.8338214135394164
Energy: 0.7978098126422364
Energy: 0.7970796176598492
Energy: 0.7978098126422364
Energy: 0.8338214135404844
Energy: 0.7978098126425506
Energy: 0.8221128946906104
Energy: 0.7643060715866867
Energy: 0.7879412436280095
Energy: 0.7643060715870635
Energy: 0.8221128946906104
Energy: 0.7643060715870635
Energy: 0.8266774771524728
Energy: 0.7619883022106921
Energy: 0.8266774771524728
Energy: 0.7619883022106921
Energy: 0.8266774771521587
Energy: 0.7619883022106921
Energy: 0.8150116975174373
Energy: 0.8878173023698639
Energy: 0.815011697517814
Energy: 0.887817302369173
Energy: 0.815011697517814
Energy: 0.887817302369173
Energy: 0.8452973765342731
Energy: 0.8408572465702053
Energy: 0.8452973765338961
Energy: 0.8408572465698912
Energy: 0.8452973765335822
Energy: 0.8408572465702053
Energy: 0.7742818182771225
Energy: 0.8122745806782506
Energy: 0.7742818182768084
Energy: 0.8122745806785648
Energy: 0.7742818182768084
Energy: 0.8122745806782506
Energy: 0.8949650838014414
Energy: 0.8018082896320189
Energy: 0.8960281889229622
Energy: 0.8018082896317048
Energy: 0.8949650838004364
Energy: 0.8018082896320189
Energy: 0.7849361602676933
Energy: 0.898453846447825
Energy: 0.7846659259374097
Energy: 0.898453846447825
Energy: 0.7849361602680074
Energy: 0.8984538464482021
Energy: 0.841516102183116
Energy: 0.8060163444662143
Energy: 0.841516102183493
Energy: 0.8060163444665912
Energy: 0.8415161021838071
Energy: 0.8060163444662143
Energy: 0.7461058745706204
Energy: 0.843793572381785
Energy: 0.7461058745706204
Energy: 0.8437935723824758
Energy: 0.7461058745706204
Energy: 0.8437935723824758
Energy: 0.8761507331582221
Energy: 0.8016789959347396
Energy: 0.8761507327596368
Energy: 0.8016789959347396
Energy: 0.8761507547563937
Energy: 0.8016789959347396
Energy: 0.7871614118526402
Energy: 0.7982978627683739
Energy: 0.7871458267885758
Energy: 0.79829517013439
Energy: 0.7871614118526402
Energy: 0.7983027678546415
Energy: 0.9067769109746528
Energy: 0.7809846770185324
Energy: 0.906776910974967
Energy: 0.7809846770181555
Energy: 0.9067769109746528
Energy: 0.7809846770185324
Energy: 0.7783764675320799
Energy: 0.8277736445157109
Energy: 0.7783764675320799
Energy: 0.827773644516402
Energy: 0.7783764675317657
Energy: 0.8277736445153341
Energy: 0.8227388576614472
Energy: 0.7620165203338609
Energy: 0.8227388576614472
Energy: 0.7620165203338609
Energy: 0.8227388576614472
Energy: 0.7620165203338609
Energy: 0.798091040432717
Energy: 0.8401348416265724
Energy: 0.798091040432717
Energy: 0.8401348416269491
Energy: 0.798091040432717
Energy: 0.8401348416269491
Energy: 0.8807385957762428
Energy: 0.7759116553468565
Energy: 0.880738595775866
Energy: 0.7759116553465424
Energy: 0.880738595775866
Energy: 0.7759116553465424
Energy: 0.8664385924344825
Energy: 0.7658362930163063
Energy: 0.8664376049562273
Energy: 0.765836292990048
Energy: 0.8664385924351736
Energy: 0.7658362929783008
Energy: 0.8448983929799345
Energy: 0.7952836170437889
Energy: 0.8448983929795577
Energy: 0.7952836170437889
Energy: 0.8448983929795577
Energy: 0.7952836170437889
Energy: 0.7869962177371044
Energy: 0.8452901626683039
Energy: 0.7869962177371044
Energy: 0.8452901626676129
Energy: 0.7869962177367276
Energy: 0.845290162667927
Energy: 0.8263004236262415
Energy: 0.7990403331874575
Energy: 0.8263004236262415
Energy: 0.7990403331874575
Energy: 0.8263004236262415
Energy: 0.7990403331874575
Energy: 0.8305198930872737
Energy: 0.8002441868509473
Energy: 0.830797236876732
Energy: 0.8002441868509473
Energy: 0.8305198930868968
Energy: 0.800244186851324

minimum gb energy = 0.737548795160375 eV
minimum distance =  2.34876593459824 Angstroms
sigma value = 81


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

Energy: 0.8559026239932097
Energy: 0.8193149310197708
Energy: 0.80804448567445
Energy: 0.8193149310197708
Energy: 0.8559026239932097
Energy: 0.8193149310197708
Energy: 0.7583412914067552
Energy: 0.8452682039546933
Energy: 0.7583412914067552
Energy: 0.8452682039546933
Energy: 0.7583412914067552
Energy: 0.8452682039546933
Energy: 0.8707138909832393
Energy: 0.7084758254777063
Energy: 0.8680548294727303
Energy: 0.7084758254762837
Energy: 0.870713890978023
Energy: 0.7084758254762837
Energy: 0.787058746086173
Energy: 0.8574950587354269
Energy: 0.787058746086173
Energy: 0.8574950587354269
Energy: 0.787058746086173
Energy: 0.8574950587354269
Energy: 0.7535127677992881
Energy: 0.7082247949406776
Energy: 0.7535127677997624
Energy: 0.7082247949406776
Energy: 0.7535127677992881
Energy: 0.7082247949411518
Energy: 0.7521138966667626
Energy: 0.707944001588975
Energy: 0.7521138966662884
Energy: 0.7079440015894491
Energy: 0.7521138966667626
Energy: 0.707944001588975
Energy: 0.7004187318260311
Energy: 0.707856246356815
Energy: 0.7004187318260311
Energy: 0.707856246356815
Energy: 0.7004187318255569
Energy: 0.707856246356815
Energy: 0.7543303700478051
Energy: 0.824616314909448
Energy: 0.7543160099582915
Energy: 0.824616314909448
Energy: 0.7543303700478051
Energy: 0.824616314909448
Energy: 0.943378637669416
Energy: 0.8176096414141398
Energy: 0.943378637669416
Energy: 0.8176096414141398
Energy: 0.94337863766989
Energy: 0.8176096414141398
Energy: 0.8199947251757002
Energy: 0.9887220270624831
Energy: 0.8199947251757002
Energy: 0.9887220270624831
Energy: 0.8199947251757002
Energy: 0.9887220270624831
Energy: 0.7572563084642536
Energy: 0.7484083394960132
Energy: 0.7572563084642536
Energy: 0.7484083394960132
Energy: 0.7572563084642536
Energy: 0.7484083394960132
Energy: 0.7079238911555679
Energy: 0.7518511813490668
Energy: 0.7079238911555679
Energy: 0.7518511813490668
Energy: 0.7079238911555679
Energy: 0.7518511813490668
Energy: 0.7575861804024688
Energy: 0.7526656918766389
Energy: 0.7575861804024688
Energy: 0.7526656918766389
Energy: 0.7575861804024688
Energy: 0.7526656918766389
Energy: 0.8176007962560152
Energy: 0.8638421189489186
Energy: 0.8176007962560152
Energy: 0.8638421189489186
Energy: 0.8176007962560152
Energy: 0.8638421189489186
Energy: 0.8652781409008794
Energy: 0.7173333562569764
Energy: 0.8652781409008794
Energy: 0.7173333562569764
Energy: 0.8652781409008794
Energy: 0.7173333562569764
Energy: 0.7541526641372328
Energy: 0.7079462378456104
Energy: 0.7541526641372328
Energy: 0.7079462378456104
Energy: 0.7541526641367586
Energy: 0.7079462378456104
Energy: 0.8281634151126879
Energy: 0.7084961930811599
Energy: 0.8281634151126879
Energy: 0.7084961930811599
Energy: 0.8281634151126879
Energy: 0.7084961930811599
Energy: 0.7140441232076468
Energy: 0.8358467823691486
Energy: 0.7141062360877374
Energy: 0.8358467823691486
Energy: 0.7140441232076468
Energy: 0.8358467823691486
Energy: 0.7085728712768393
Energy: 0.8194389846650363
Energy: 0.7085728712768393
Energy: 0.8194389846152453
Energy: 0.7085728712768393
Energy: 0.8194389845820945
Energy: 0.857000275145308
Energy: 0.9187952294930878
Energy: 0.8570002751434113
Energy: 0.9187952294930878
Energy: 0.8570002751434113
Energy: 0.9187952294930878
Energy: 0.7582480247609003
Energy: 0.7526389801881581
Energy: 0.7582480247609003
Energy: 0.7526389801881581
Energy: 0.758248024760426
Energy: 0.7526389801881581
Energy: 0.7584553100936148
Energy: 0.7502440891642715
Energy: 0.7085779874929342
Energy: 0.7502440891642715
Energy: 0.7584553100936148
Energy: 0.7502440891642715
Energy: 0.7585710998581732
Energy: 0.7011177606379259
Energy: 0.7086454020603241
Energy: 0.7011177606384001
Energy: 0.7585710998581732
Energy: 0.7011177606379259
Energy: 0.7605522608003173
Energy: 0.7537061397067147
Energy: 0.7605522608003173
Energy: 0.7537061397062406
Energy: 0.7605522608003173
Energy: 0.7537061397067147
Energy: 0.8163925395628725
Energy: 0.9397004742472802
Energy: 0.8163925395628725
Energy: 0.9397004742472802
Energy: 0.8163925395628725
Energy: 0.9397004742472802
Energy: 0.8694345358513066
Energy: 0.9836033427653368
Energy: 0.8694345358508325
Energy: 0.9836033427653368
Energy: 0.8694345358508325
Energy: 0.9836033427658109
Energy: 0.7138234860510799
Energy: 0.7864777766808905
Energy: 0.7138234860510799
Energy: 0.7864777766808905
Energy: 0.7138234860510799
Energy: 0.7864777766808905
Energy: 0.8248565660292153
Energy: 0.708599597040882
Energy: 0.8248565660292153
Energy: 0.708599597040882
Energy: 0.8248565660287411
Energy: 0.708599597040882
Energy: 0.7536100475969932
Energy: 0.7577651422662784
Energy: 0.7535969925209551
Energy: 0.7577651422662784
Energy: 0.7536100475969932
Energy: 0.7577651422662784
Energy: 0.8650868057791935
Energy: 0.7187897636992623
Energy: 0.8650868057787193
Energy: 0.7187897636992623
Energy: 0.8650868057791935
Energy: 0.7187897636992623
Energy: 0.8572148207886727
Energy: 0.858320716249002
Energy: 0.8572148207886727
Energy: 0.8583207162504244
Energy: 0.8572148207886727
Energy: 0.8583207162504244
Energy: 0.7075116163162098
Energy: 0.7537435848488241
Energy: 0.7075116163162098
Energy: 0.7537435848488241
Energy: 0.7075116163162098
Energy: 0.7537435848488241
Energy: 0.7078954764659541
Energy: 0.7523912568495552
Energy: 0.70789547646548
Energy: 0.7523912568495552
Energy: 0.7078954764659541
Energy: 0.7523912568495552
Energy: 0.7074690154060174
Energy: 0.6999725003568483
Energy: 0.7074690154060174
Energy: 0.6999725003568483
Energy: 0.7074690154060174
Energy: 0.6999725003568483
Energy: 0.8628883197316451
Energy: 1.061651822188435
Energy: 0.86284613292903
Energy: 1.061651822188435
Energy: 0.8628883197321192
Energy: 1.061651822188435
Energy: 0.9261829532068337
Energy: 0.8571080079964496
Energy: 0.9261829532068337
Energy: 0.8571080079969237
Energy: 0.9261829532068337
Energy: 0.857108007995027
Energy: 0.7534899306383461
Energy: 0.7090207106541374
Energy: 0.7534899306383461
Energy: 0.7090207106541374
Energy: 0.7534899306383461
Energy: 0.7090207106546117
Energy: 0.7480136539014443
Energy: 0.7079571101299994
Energy: 0.7480136539014443
Energy: 0.7079571101299994
Energy: 0.7480136539009702
Energy: 0.7079571101299994

minimum gb energy = 0.6999725003568483 eV
minimum distance =  2.40167339416696 Angstroms
sigma value = 43


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

Energy: 0.9578755215292253
Energy: 0.7303288119674871
Energy: 0.9578755215292253
Energy: 0.7303288119674871
Energy: 0.9578755215292253
Energy: 0.7303288119674871
Energy: 0.822478771401446
Energy: 0.7313641032691937
Energy: 0.822478771401446
Energy: 0.7313641032691937
Energy: 0.822478771401446
Energy: 0.7313641032691937
Energy: 0.8695119608898573
Energy: 0.8993675721330671
Energy: 0.8695119608898573
Energy: 0.8993675721330671
Energy: 0.8695119608898573
Energy: 0.8993675721330671
Energy: 0.7582975068912229
Energy: 0.7840258032451791
Energy: 0.7582975068912229
Energy: 0.7840258032451791
Energy: 0.7582975068912229
Energy: 0.7840258032451791
Energy: 0.7570522410144924
Energy: 0.828908862015596
Energy: 0.7570522410144924
Energy: 0.828908862015596
Energy: 0.7570522410144924
Energy: 0.828908862015596
Energy: 0.7783291400402208
Energy: 0.7960391068207263
Energy: 0.7783291400402208
Energy: 0.7960391068207263
Energy: 0.7783291400402208
Energy: 0.7960391068201439
Energy: 0.8403374862054391
Energy: 0.8596051137731701
Energy: 0.8403374862054391
Energy: 0.8596051137731701
Energy: 0.8403374862054391
Energy: 0.8596051137731701
Energy: 0.7754191357456831
Energy: 0.8162901255027604
Energy: 0.7754191357456831
Energy: 0.8162901255027604
Energy: 0.7754191357456831
Energy: 0.8162901255027604
Energy: 0.844475972445716
Energy: 0.7418609416775497
Energy: 0.844475972445716
Energy: 0.7418609416775497
Energy: 0.844475972445716
Energy: 0.7418609416775497
Energy: 0.777969432072568
Energy: 0.7997169290758462
Energy: 0.7779694320731505
Energy: 0.7997169290758462
Energy: 0.777969432072568
Energy: 0.7997169290758462
Energy: 0.8770202809035915
Energy: 0.7483069615891772
Energy: 0.8770202809030091
Energy: 0.7483069615885948
Energy: 0.8770202809035915
Energy: 0.7483069615891772
Energy: 0.7755964078679575
Energy: 0.7634447658683085
Energy: 0.7755964078679575
Energy: 0.7634447658683085
Energy: 0.7755964078679575
Energy: 0.7634447658683085
Energy: 0.7602622317763245
Energy: 0.7964139713646697
Energy: 0.761802870611722
Energy: 0.7964139713646697
Energy: 0.7616796485206093
Energy: 0.7964139713646697
Energy: 0.7049797080141186
Energy: 0.900690624933333
Energy: 0.7049797080141186
Energy: 0.9006906249339154
Energy: 0.7049797080141186
Energy: 0.9006906249339154
Energy: 0.8272235795003781
Energy: 0.8272514804321024
Energy: 0.8272235795003781
Energy: 0.8272514804321024
Energy: 0.8272235795003781
Energy: 0.8272514804321024
Energy: 0.8031597056245752
Energy: 0.7813049054474384
Energy: 0.8031597056239925
Energy: 0.7813049054474384
Energy: 0.8031597056239925
Energy: 0.7813049054474384
Energy: 0.8810496401349848
Energy: 0.7341629952631674
Energy: 0.8810496401349848
Energy: 0.7341629952631674
Energy: 0.8810496401349848
Energy: 0.7341629952631674
Energy: 0.8483990688801568
Energy: 0.7882219055767742
Energy: 0.8483990688801568
Energy: 0.7882219055773303
Energy: 0.8483990688801568
Energy: 0.7882219055773303
Energy: 0.8417171417268761
Energy: 0.7726844909770062
Energy: 0.8417171417268761
Energy: 0.7726844909770062
Energy: 0.8417171417268761
Energy: 0.7726844909770062
Energy: 0.8381092030752257
Energy: 0.7254619151484821
Energy: 0.8381092030752257
Energy: 0.7254619151484821
Energy: 0.8381092030752257
Energy: 0.7254619151478996
Energy: 0.8017978328217553
Energy: 0.8188994807734592
Energy: 0.8017978328217553
Energy: 0.8188994807734592
Energy: 0.8017978328217553
Energy: 0.8188994807734592
Energy: 0.8485139323951558
Energy: 0.8276460572740301
Energy: 0.8485139323951558
Energy: 0.8276460572740301
Energy: 0.8485139323951558
Energy: 0.8276460572740301
Energy: 0.7055991720963122
Energy: 0.8427943607577203
Energy: 0.7055991720957298
Energy: 0.8427943607583026
Energy: 0.7055991720957298
Energy: 0.8427943607577203
Energy: 0.8595140804734556
Energy: 0.7968463792018062
Energy: 0.8595140804734556
Energy: 0.7968463792018062
Energy: 0.8595140804734556
Energy: 0.7968463792018062
Energy: 0.775455197748396
Energy: 0.7723276949530922
Energy: 0.775455197748396
Energy: 0.7723276949530922
Energy: 0.775455197748396
Energy: 0.7723276949536746
Energy: 0.8560611660588426
Energy: 0.8062575133135883
Energy: 0.8560611660576778
Energy: 0.8062575133135883
Energy: 0.8560611660576778
Energy: 0.8062575133135883
Energy: 0.7789535447177118
Energy: 0.7300555030622199
Energy: 0.7789535447177118
Energy: 0.7300555030628023
Energy: 0.7789535447177118
Energy: 0.7300555030616374
Energy: 0.8452827864960825
Energy: 0.7248207749653152
Energy: 0.8452827864960825
Energy: 0.7248207749653152
Energy: 0.8452827864960825
Energy: 0.7248207749653152
Energy: 0.775571400789693
Energy: 0.8163598139426813
Energy: 0.775571400789693
Energy: 0.8163598139426813
Energy: 0.775571400789693
Energy: 0.8163598139426813
Energy: 0.8177853933876487
Energy: 0.8393342925539351
Energy: 0.8177853933882311
Energy: 0.8393342925539351
Energy: 0.8177853933882311
Energy: 0.8393342925539351
Energy: 0.7792639269454178
Energy: 0.7961093079086623
Energy: 0.7792639269454178
Energy: 0.7961093079086623
Energy: 0.7792639269454178
Energy: 0.7961093079086623

minimum gb energy = 0.7049797080141186 eV
minimum distance =  2.36284385282025 Angstroms
sigma value = 57


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

Energy: 0.8053854105755578
Energy: 0.6957572068280846
Energy: 0.8053854105763121
Energy: 0.6957572068280846
Energy: 0.8053854105755578
Energy: 0.6957572068280846
Energy: 0.7805738829446079
Energy: 0.7090413507739315
Energy: 0.7805738829438538
Energy: 0.7090413507739315
Energy: 0.7805738829446079
Energy: 0.7090413507739315
Energy: 0.8050140474455707
Energy: 0.8784593723082457
Energy: 0.8050140474455707
Energy: 0.8784593723082457
Energy: 0.8050140474455707
Energy: 0.8784593723082457
Energy: 0.8055013228612028
Energy: 0.8252433628378941
Energy: 0.8055013228604487
Energy: 0.8252433628378941
Energy: 0.8055013228604487
Energy: 0.82524336283714
Energy: 0.7307562970043692
Energy: 0.820940376658527
Energy: 0.7307562970043692
Energy: 0.820940376658527
Energy: 0.7307562970043692
Energy: 0.820940376658527
Energy: 0.7700963987437566
Energy: 0.7734855623196247
Energy: 0.7700963987437566
Energy: 0.7734855623196247
Energy: 0.7700963987430024
Energy: 0.7734855623196247
Energy: 0.8009162278638244
Energy: 0.8824475187742699
Energy: 0.8009162278638244
Energy: 0.8824475187742699
Energy: 0.8009162278638244
Energy: 0.8824475187742699
Energy: 0.7975390694840724
Energy: 0.6990980775168849
Energy: 0.7975390694833525
Energy: 0.6990980775168849
Energy: 0.7975390694833525
Energy: 0.6990980775168849
Energy: 0.7478062101641674
Energy: 0.7006814059653952
Energy: 0.7478062101641674
Energy: 0.7006814059661493
Energy: 0.7478062101641674
Energy: 0.7006814059661493
Energy: 0.6645876795249551
Energy: 0.7764439465268506
Energy: 0.6645876795257093
Energy: 0.7764439465268506
Energy: 0.6645876795257093
Energy: 0.7764439465268506
Energy: 0.8004704422238971
Energy: 0.8288137938110075
Energy: 0.8004704422238971
Energy: 0.8288137938110075
Energy: 0.8004704422238971
Energy: 0.8288137938110075
Energy: 0.7326239399767729
Energy: 0.8184084042208055
Energy: 0.7326239399767729
Energy: 0.8184084042208055
Energy: 0.7326239399767729
Energy: 0.8184084042208055
Energy: 0.8017943007818382
Energy: 0.7007943468783858
Energy: 0.8017943007818382
Energy: 0.7007943468783858
Energy: 0.8017943007818382
Energy: 0.7007943468783858
Energy: 0.7599857850252214
Energy: 0.7130434207799159
Energy: 0.7599857850252214
Energy: 0.7130434207799159
Energy: 0.7599857850493549
Energy: 0.7130434207799159
Energy: 0.757476074227771
Energy: 0.7039256031264621
Energy: 0.757476074227771
Energy: 0.7039256031264621
Energy: 0.757476074227771
Energy: 0.7039256031264621
Energy: 0.736574929535995
Energy: 0.6960102012158526
Energy: 0.736574929535995
Energy: 0.6960102012158526
Energy: 0.736574929535995
Energy: 0.6960102012158526
Energy: 0.6899162230079731
Energy: 0.7773811530799637
Energy: 0.6899162230079731
Energy: 0.7773811530799637
Energy: 0.6899162230079731
Energy: 0.7773811530799637
Energy: 0.7983243661580433
Energy: 0.7965091335687818
Energy: 0.7983243661580433
Energy: 0.796509133569536
Energy: 0.7983243661580433
Energy: 0.7965091335687818
Energy: 0.6899944744660829
Energy: 0.7774407730630758
Energy: 0.6899944744660829
Energy: 0.7774407730637957
Energy: 0.6899944744660829
Energy: 0.7774407730630758
Energy: 0.7366529988866701
Energy: 0.6959959944911441
Energy: 0.7366529988866701
Energy: 0.6959959944911441
Energy: 0.7366529988874243
Energy: 0.6959959944911441
Energy: 0.728569107172826
Energy: 0.7038014364517081
Energy: 0.7285691071660727
Energy: 0.7038014364517081
Energy: 0.7285691071660727
Energy: 0.7038014364517081
Energy: 0.7580531988978455
Energy: 0.7108705308464672
Energy: 0.7580531988752204
Energy: 0.7108705308464672
Energy: 0.7580531988624337
Energy: 0.7108705308457131
Energy: 0.8016876353827285
Energy: 0.7008066342923335
Energy: 0.8016876353827285
Energy: 0.7008066342923335
Energy: 0.8016876353827285
Energy: 0.7008066342923335
Energy: 0.732691245600736
Energy: 0.8182215526112231
Energy: 0.732691245600736
Energy: 0.8182215526112231
Energy: 0.732691245600736
Energy: 0.8182215526112231

minimum gb energy = 0.6645876795249551 eV
minimum distance =  2.39424594379499 Angstroms
sigma value = 17


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

Energy: 0.7432809876045805
Energy: 0.7236267195118514
Energy: 0.7432809876045805
Energy: 0.7236267195118514
Energy: 0.7432809876045805
Energy: 0.7236267195118514
Energy: 0.704956502715571
Energy: 0.7049971045386247
Energy: 0.704956502715571
Energy: 0.7049971045386247
Energy: 0.704956502715571
Energy: 0.7049971045386247
Energy: 0.7716180970898783
Energy: 0.8317271257067529
Energy: 0.7716180970898783
Energy: 0.8317271257067529
Energy: 0.7716180970898783
Energy: 0.8317271257067529
Energy: 0.6361691895520019
Energy: 0.8090390595413046
Energy: 0.6361691895520019
Energy: 0.8090390595413046
Energy: 0.6361691895520019
Energy: 0.8090390595413046
Energy: 0.7221444306240302
Energy: 0.7749741788529508
Energy: 0.7221444306240302
Energy: 0.7749741788518842
Energy: 0.7221444306240302
Energy: 0.7749741788529508
Energy: 0.7419421456908522
Energy: 0.7982749262758883
Energy: 0.7419421456908522
Energy: 0.7982749262758883
Energy: 0.7419421456908522
Energy: 0.7982749262758883
Energy: 0.7630465985164199
Energy: 0.6978575430643843
Energy: 0.7630465985164199
Energy: 0.6978575430643843
Energy: 0.7630465985164199
Energy: 0.6978575430643843
Energy: 0.6359683187077438
Energy: 0.7768833583254235
Energy: 0.6359683187077438
Energy: 0.7768833583254235
Energy: 0.6359683187077438
Energy: 0.7768833583254235
Energy: 0.7792036441429535
Energy: 0.7100414558154424
Energy: 0.7792036441429535
Energy: 0.7100414558143759
Energy: 0.7792036441429535
Energy: 0.7100414558154424
Energy: 0.7504832536278736
Energy: 0.7020691483709226
Energy: 0.7504832536278736
Energy: 0.7020691483709226
Energy: 0.7504832536278736
Energy: 0.7020691483709226
Energy: 0.7383995488752442
Energy: 0.6782347942285328
Energy: 0.7383995488752442
Energy: 0.6782347942285328
Energy: 0.7383995488752442
Energy: 0.6782347942285328
Energy: 0.7253253722195299
Energy: 0.7004872876246693
Energy: 0.7253253722195299
Energy: 0.7004872876246693
Energy: 0.7253253722195299
Energy: 0.7004872876246693
Energy: 0.6623347375596256
Energy: 0.8024727953602332
Energy: 0.6623347375596256
Energy: 0.8024727953602332
Energy: 0.6623347375596256
Energy: 0.8024727953602332
Energy: 0.7498099747054634
Energy: 0.7906664190413806
Energy: 0.7498099747054634
Energy: 0.7906664190413806
Energy: 0.7498099747054634
Energy: 0.7906664190413806
Energy: 0.749283283517526
Energy: 0.657884447531747
Energy: 0.749283283517526
Energy: 0.657884447531747
Energy: 0.749283283517526
Energy: 0.657884447531747
Energy: 0.7454587717310973
Energy: 0.804255362179724
Energy: 0.7454587717310973
Energy: 0.804255362179724
Energy: 0.7454587717310973
Energy: 0.804255362179724
Energy: 0.7483550644975699
Energy: 0.789524199219139
Energy: 0.7483550644975699
Energy: 0.7895241992202057
Energy: 0.7483550644975699
Energy: 0.789524199219139

minimum gb energy = 0.6359683187077438 eV
minimum distance =  2.35009086742345 Angstroms
sigma value = 17


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

Energy: 0.741685073576625
Energy: 0.6638003700737954
Energy: 0.7416850735762133
Energy: 0.6638003700737954
Energy: 0.741685073576625
Energy: 0.6638003700737954
Energy: 0.6810699125039642
Energy: 0.6408602218752711
Energy: 0.681069912504376
Energy: 0.6408602218756829
Energy: 0.6810699125039642
Energy: 0.6408602218756829
Energy: 0.7407188650554501
Energy: 0.706494060830188
Energy: 0.7407188650554501
Energy: 0.706494060830188
Energy: 0.7407188650554501
Energy: 0.706494060830188
Energy: 0.6213561670120441
Energy: 0.6963238585713506
Energy: 0.6213561670120441
Energy: 0.6963238585713506
Energy: 0.6213561670120441
Energy: 0.6963238585713506
Energy: 0.6744107394537623
Energy: 0.6393826217164195
Energy: 0.6744107394537623
Energy: 0.6393826217168314
Energy: 0.6744107394541741
Energy: 0.6393826217164195
Energy: 0.7073257714676031
Energy: 0.6978935760331615
Energy: 0.7073257714676031
Energy: 0.6978935760331615
Energy: 0.7073257714676031
Energy: 0.6978935760331615
Energy: 0.6776857765043262
Energy: 0.6680016950325375
Energy: 0.677685776504738
Energy: 0.6680016950325375
Energy: 0.6776857765043262
Energy: 0.6680016950325375
Energy: 0.6820787027741443
Energy: 0.7477710339947626
Energy: 0.6820787027716729
Energy: 0.7477710339951745
Energy: 0.6820787027704374
Energy: 0.7477710339947626
Energy: 0.692731823841363
Energy: 0.7118273398231489
Energy: 0.6927318238409512
Energy: 0.7118273398231489
Energy: 0.692731823841363
Energy: 0.7118273398231489
Energy: 0.6758468595324704
Energy: 0.6096955523548926
Energy: 0.6758468595320585
Energy: 0.6096955523548926
Energy: 0.6758468595320585
Energy: 0.6096955523548926
Energy: 0.6214007401894402
Energy: 0.7205829108122459
Energy: 0.6214007401894402
Energy: 0.7205829108122459
Energy: 0.6214007401894402
Energy: 0.7205829108126577
Energy: 0.7450513766081805
Energy: 0.6587706092367188
Energy: 0.7450513766085924
Energy: 0.6587706092346594
Energy: 0.7450513766081805
Energy: 0.6587706092350712
Energy: 0.6883240846811193
Energy: 0.6601243108976911
Energy: 0.6883240846811193
Energy: 0.6601243108976911
Energy: 0.6883240846811193
Energy: 0.6601243108972792
Energy: 0.6772132336984293
Energy: 0.669568938026416
Energy: 0.6772132336984293
Energy: 0.6695689380260043
Energy: 0.6772132336984293
Energy: 0.669568938026416
Energy: 0.7050524904044672
Energy: 0.7233721009559717
Energy: 0.7050524904044672
Energy: 0.7233721009567955
Energy: 0.7050524904044672
Energy: 0.7233721009563836
Energy: 0.6205708442521609
Energy: 0.6989447059533594
Energy: 0.620570844251749
Energy: 0.6989447059533594
Energy: 0.620570844251749
Energy: 0.6989447059533594
Energy: 0.6871708190361286
Energy: 0.6969250727617555
Energy: 0.6871708190365405
Energy: 0.6969250727617555
Energy: 0.6871708190361286
Energy: 0.6969250727617555
Energy: 0.7083594527508578
Energy: 0.7037169629367871
Energy: 0.7083594527508578
Energy: 0.7037169629363753
Energy: 0.7083594527512697
Energy: 0.7037169629363753
Energy: 0.6816400391130477
Energy: 0.7028046476616229
Energy: 0.6816400391130477
Energy: 0.7028046476620347
Energy: 0.6816400391130477
Energy: 0.7028046476616229
Energy: 0.686025378653353
Energy: 0.6092889046325753
Energy: 0.686025378653353
Energy: 0.6092889046325753
Energy: 0.686025378653353
Energy: 0.6092889046329872
Energy: 0.6814802324739417
Energy: 0.7024362970400755
Energy: 0.6814802324743536
Energy: 0.7024362970400755
Energy: 0.6814802324739417
Energy: 0.7024362970400755
Energy: 0.7085898058138353
Energy: 0.7038104317729054
Energy: 0.7085898058134235
Energy: 0.7038104317729054
Energy: 0.7085898058134235
Energy: 0.7038104317733173
Energy: 0.6872647908206716
Energy: 0.6967277196626006
Energy: 0.6872647908210835
Energy: 0.6967277196626006
Energy: 0.6872647908206716
Energy: 0.6967277196626006
Energy: 0.6206481909969493
Energy: 0.7610791402832631
Energy: 0.6206481909965375
Energy: 0.7610791402828512
Energy: 0.6206481909965375
Energy: 0.7610791402832631
Energy: 0.7050596573200902
Energy: 0.7228842022026413
Energy: 0.7050596573196783
Energy: 0.7228842022026413
Energy: 0.7050596573196783
Energy: 0.7228842022022295
Energy: 0.6770621968860158
Energy: 0.6693028161053184
Energy: 0.6770621968860158
Energy: 0.6693028161057303
Energy: 0.6770621968860158
Energy: 0.6693028161057303
Energy: 0.6884204504313787
Energy: 0.6602024282340195
Energy: 0.6884204504313787
Energy: 0.6602024282340195
Energy: 0.6884204504313787
Energy: 0.6602024282340195
Energy: 0.7450677981547391
Energy: 0.6588792493120469
Energy: 0.7450677981547391
Energy: 0.658879249311635
Energy: 0.7450677981547391
Energy: 0.6588792493120469
Energy: 0.6210010714860323
Energy: 0.719482078273146
Energy: 0.6210010714860323
Energy: 0.719482078273146
Energy: 0.6210010714856204
Energy: 0.719482078273146
Energy: 0.6760512456435793
Energy: 0.6094846306616056
Energy: 0.6760512456435793
Energy: 0.6094846306616056
Energy: 0.6760512456435793
Energy: 0.6094846306616056
Energy: 0.6927783990228943
Energy: 0.7119698131093543
Energy: 0.6927783990228943
Energy: 0.7119698131097661
Energy: 0.6927783990228943
Energy: 0.7119698131093543
Energy: 0.6823596683846623
Energy: 0.747857060405625
Energy: 0.6823596683850741
Energy: 0.747857060405625
Energy: 0.6823596683850741
Energy: 0.747857060405625
Energy: 0.6778089598995004
Energy: 0.6678528779120152
Energy: 0.6778089598995004
Energy: 0.6678528779120152
Energy: 0.6778089598990885
Energy: 0.6678528779120152
Energy: 0.7068208816091365
Energy: 0.6503150929125946
Energy: 0.7068208816095484
Energy: 0.6503150929125946
Energy: 0.7068208816095484
Energy: 0.6503150929125946
Energy: 0.6715350307765715
Energy: 0.6396925066185042
Energy: 0.6715350307765715
Energy: 0.6396925066185042
Energy: 0.6715350307765715
Energy: 0.6396925066185042
Energy: 0.6210204759253988
Energy: 0.7094492974661708
Energy: 0.6210204759253988
Energy: 0.7094492974661708
Energy: 0.6210204759253988
Energy: 0.7094492974661708
Energy: 0.740870476055831
Energy: 0.7065390185373557
Energy: 0.7408704760562429
Energy: 0.7065390185377675
Energy: 0.7408704760562429
Energy: 0.7065390185373557
Energy: 0.6813357631673983
Energy: 0.6407201136974057
Energy: 0.6813357631673983
Energy: 0.6407201136974057
Energy: 0.6813357631673983
Energy: 0.6407201136974057
Energy: 0.7416850735762133
Energy: 0.6638003700737954
Energy: 0.741685073576625
Energy: 0.6638003700737954
Energy: 0.741685073576625
Energy: 0.6638003700733837
Energy: 0.6810699125039642
Energy: 0.6470436428259945
Energy: 0.6810699125039642
Energy: 0.6470436428259945
Energy: 0.681069912504376
Energy: 0.6470436428259945
Energy: 0.7407188650554501
Energy: 0.706494060830188
Energy: 0.7407188650554501
Energy: 0.706494060830188
Energy: 0.7407188650554501
Energy: 0.706494060830188
Energy: 0.6213561670120441
Energy: 0.6963238585713506
Energy: 0.6213561670120441
Energy: 0.6963238585713506
Energy: 0.6213561670116322
Energy: 0.6963238585713506
Energy: 0.6744107394521148
Energy: 0.6393826217172432
Energy: 0.6744107394529385
Energy: 0.6393826217164195
Energy: 0.6744107394521148
Energy: 0.6393826217168314

minimum gb energy = 0.6092889046325753 eV
minimum distance =  2.36862564031967 Angstroms
sigma value = 57


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

Energy: 0.6965180527655281
Energy: 0.614255016912034
Energy: 0.6965180527661987
Energy: 0.614255016912034
Energy: 0.6965180527655281
Energy: 0.6142550169113634
Energy: 0.6959754512504942
Energy: 0.6053815484048429
Energy: 0.6959754512511649
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Energy: 0.6959754512511649
Energy: 0.6053815484048429
Energy: 0.6988779441880087
Energy: 0.6554879581027758
Energy: 0.6988779441880087
Energy: 0.6554879581027758
Energy: 0.6988779441880087
Energy: 0.6554879581027758
Energy: 0.588333454693386
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Energy: 0.5883334546940567
Energy: 0.6708700870781887
Energy: 0.5883334546940567
Energy: 0.6708700870781887
Energy: 0.6141679487529103
Energy: 0.6006728842158006
Energy: 0.6141679487529103
Energy: 0.6006728842158006
Energy: 0.6141679487529103
Energy: 0.6006728842158006
Energy: 0.664441616361456
Energy: 0.6049515591447531
Energy: 0.664441616361456
Energy: 0.6049515591447531
Energy: 0.6644416163621268
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Energy: 0.5826096917347149
Energy: 0.645681568450961
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Energy: 0.6456815684502905
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Energy: 0.6456815684502905
Energy: 0.7643451526536299
Energy: 0.6316281725634421
Energy: 0.7643451526536299
Energy: 0.6316281725634421
Energy: 0.7643451526529592
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Energy: 0.6095259077936095
Energy: 0.6064451802916545
Energy: 0.6095259077936095
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Energy: 0.6095259077936095
Energy: 0.6064451802916545
Energy: 0.6193962741949628
Energy: 0.6203361516854813
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Energy: 0.6203361516861519
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Energy: 0.6203361516861519
Energy: 0.5759311970242145
Energy: 0.7694533981600303
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Energy: 0.769453398160701
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Energy: 0.7694533981600303
Energy: 0.6361562525330329
Energy: 0.5826962030025
Energy: 0.6361562525337036
Energy: 0.5826962030031707
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Energy: 0.5826962030031707
Energy: 0.6182764908238404
Energy: 0.6599809336263958
Energy: 0.618276490824511
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Energy: 0.6599809336263958
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Energy: 0.6393828048899136
Energy: 0.5851725369379536
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Energy: 0.5851725369379536
Energy: 0.6393828048899136
Energy: 0.6859926108705143
Energy: 0.615407312866056
Energy: 0.6859926108698438
Energy: 0.6154073128667267
Energy: 0.6859926108705143
Energy: 0.615407312866056
Energy: 0.6168038220323422
Energy: 0.6136920781523867
Energy: 0.6168038220323422
Energy: 0.6136920781523867
Energy: 0.6168038220323422
Energy: 0.6136920781523867
Energy: 0.6369067928354272
Energy: 0.6969658627406157
Energy: 0.6369067928354272
Energy: 0.6969658627406157
Energy: 0.6369067928354272
Energy: 0.6969658627406157
Energy: 0.6545117217072698
Energy: 0.6748577427492731
Energy: 0.6545117217065992
Energy: 0.6748577427486026
Energy: 0.6545117217072698
Energy: 0.6748577427486026
Energy: 0.5866065343839094
Energy: 0.7300968761804386
Energy: 0.5866065343839094
Energy: 0.7300968761804386
Energy: 0.5866065343839094
Energy: 0.7300968761804386
Energy: 0.5877101885052392
Energy: 0.6646266952128214
Energy: 0.5877101885052392
Energy: 0.6646266952128214
Energy: 0.5877101885052392
Energy: 0.6646266952128214
Energy: 0.6498799332860952
Energy: 0.6510894402382683
Energy: 0.6498799332860952
Energy: 0.651089440236927
Energy: 0.6498799332860952
Energy: 0.6510894402382683
Energy: 0.5747355228126784
Energy: 0.7344960682289454
Energy: 0.5747355228126784
Energy: 0.7344960682289454
Energy: 0.5747355228126784
Energy: 0.734496068229616
Energy: 0.6353869668883845
Energy: 0.6348405210753725
Energy: 0.6353869668883845
Energy: 0.6348405210747019
Energy: 0.6353869668883845
Energy: 0.6348405210753725
Energy: 0.6384003667672414
Energy: 0.7329259557930025
Energy: 0.6384003667665709
Energy: 0.7329259557930025
Energy: 0.6384003667665709
Energy: 0.7329259557930025
Energy: 0.6298105040399608
Energy: 0.7831935654489187
Energy: 0.6298105040399608
Energy: 0.7831935654482481
Energy: 0.6298105040399608
Energy: 0.7831935654482481
Energy: 0.6163303697250117
Energy: 0.6344737288380092
Energy: 0.6163303697250117
Energy: 0.6344737288386799
Energy: 0.6163303697250117
Energy: 0.6344737288386799
Energy: 0.5841163588396192
Energy: 0.7303156287242171
Energy: 0.5841163588396192
Energy: 0.7303156287235465
Energy: 0.5841163588396192
Energy: 0.7303156287235465

minimum gb energy = 0.5747355228126784 eV
minimum distance =  2.33641655666914 Angstroms
sigma value = 43


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

Energy: 0.5843136728561782
Energy: 0.551427008770174
Energy: 0.5843136728556896
Energy: 0.551427008770174
Energy: 0.5843136728561782
Energy: 0.551427008770174
Energy: 0.6042755093330554
Energy: 0.5589094654211185
Energy: 0.6042755093330554
Energy: 0.5589094654206299
Energy: 0.6042755093330554
Energy: 0.5589094654211185
Energy: 0.6238178908001072
Energy: 0.5577056653960597
Energy: 0.6238178908001072
Energy: 0.5577056653960597
Energy: 0.6238178908001072
Energy: 0.5577056653960597
Energy: 0.575540273995611
Energy: 0.5770769751041119
Energy: 0.5755402739960996
Energy: 0.5770769751041119
Energy: 0.5755402739960996
Energy: 0.5770769751041119
Energy: 0.6022499109880665
Energy: 0.532282304859325
Energy: 0.6022499109880665
Energy: 0.5322823048598136
Energy: 0.6022499109880665
Energy: 0.5322823048598136
Energy: 0.5665657761673145
Energy: 0.5407331642111037
Energy: 0.5665657761668259
Energy: 0.5407331642111037
Energy: 0.5665657761673145
Energy: 0.5407331642115923
Energy: 0.512619397821994
Energy: 0.5574919739511791
Energy: 0.5126193978224826
Energy: 0.5574919739511791
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Energy: 0.7329759294253432
Energy: 0.5240173461721704
Energy: 0.7329759294253432
Energy: 0.5240173461716818
Energy: 0.7329759294248546
Energy: 0.5240173461716818
Energy: 0.5414701011761981
Energy: 0.5337558764745131
Energy: 0.5414701011761981
Energy: 0.5337558764745131
Energy: 0.5414701011761981
Energy: 0.5337558764745131
Energy: 0.6068557970285667
Energy: 0.5302110979329783
Energy: 0.606855797028078
Energy: 0.5302110979334669
Energy: 0.606855797028078
Energy: 0.5302110979329783
Energy: 0.6557292026318856
Energy: 0.5859563236974787
Energy: 0.6557292026318856
Energy: 0.5859563236979674
Energy: 0.6557292026318856
Energy: 0.5859563236979674
Energy: 0.5138096887791391
Energy: 0.5354244831213256
Energy: 0.5138096887791391
Energy: 0.5354244831218142
Energy: 0.5138096887791391
Energy: 0.5354244831213256
Energy: 0.6058193674736135
Energy: 0.5059577552136749
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Energy: 0.5059577552136749
Energy: 0.6058193674736135
Energy: 0.5059577552136749
Energy: 0.6551804196628348
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Energy: 0.5858477785705347
Energy: 0.6551804196628348
Energy: 0.5858477785705347
Energy: 0.5305976202335977
Energy: 0.5337548371348054
Energy: 0.5305976202340863
Energy: 0.5337548371348054
Energy: 0.5305976202340863
Energy: 0.5337548371348054
Energy: 0.5664097408694959
Energy: 0.5630449578873776
Energy: 0.5664097408694959
Energy: 0.5630449578873776
Energy: 0.5664097408690073
Energy: 0.5630449578873776
Energy: 0.6046192996461166
Energy: 0.6475520043849642
Energy: 0.6046192996461166
Energy: 0.6475520043854528
Energy: 0.6046192996461166
Energy: 0.6475520043849642
Energy: 0.5459858377755048
Energy: 0.5357492189026472
Energy: 0.5459858377755048
Energy: 0.5357492189021587
Energy: 0.5459858377750162
Energy: 0.5357492189021587
Energy: 0.5130950682347948
Energy: 0.5957768951957374
Energy: 0.5130950682347948
Energy: 0.5957768951952488
Energy: 0.5130950682347948
Energy: 0.5957768951952488
Energy: 0.5643619182312957
Energy: 0.5882323326655835
Energy: 0.5643619182312957
Energy: 0.5882323326655835
Energy: 0.5643619182312957
Energy: 0.5882323326655835
Energy: 0.5919529104097827
Energy: 0.5606535697620573
Energy: 0.5919529104097827
Energy: 0.5606535697620573
Energy: 0.5919529104097827
Energy: 0.5606535697620573
Energy: 0.5582308160761627
Energy: 0.5983334839836948
Energy: 0.5582308160766513
Energy: 0.5983334839836948
Energy: 0.5582308160766513
Energy: 0.5983334839836948
Energy: 0.5633825507273336
Energy: 0.5977808745199125
Energy: 0.5633825507273336
Energy: 0.5977808745199125
Energy: 0.5633825507273336
Energy: 0.5977808745199125
Energy: 0.6266823709852636
Energy: 0.5440724179997678
Energy: 0.6266823709852636
Energy: 0.5440724179997678
Energy: 0.626682370984775
Energy: 0.5440724180002565
Energy: 0.5137653502131361
Energy: 0.5875317072984221
Energy: 0.5137653502131361
Energy: 0.5875317072984221
Energy: 0.5137653502131361
Energy: 0.5875317072984221
Energy: 0.5276829289533659
Energy: 0.576295609529066
Energy: 0.5276829289528774
Energy: 0.5762956095285774
Energy: 0.5276829289533659
Energy: 0.576295609529066
Energy: 0.5652505360078112
Energy: 0.5261374464595049
Energy: 0.5652505360082998
Energy: 0.5261374464595049
Energy: 0.5652505360078112
Energy: 0.5261374464595049
Energy: 0.5093063915774471
Energy: 0.5843824515824331
Energy: 0.5093063915774471
Energy: 0.5843824515824331
Energy: 0.5093063915774471
Energy: 0.5843824515824331
Energy: 0.5278464234305585
Energy: 0.5401948145488081
Energy: 0.5278464234305585
Energy: 0.5401948145483195
Energy: 0.5278464234305585
Energy: 0.5401948145483195
Energy: 0.5265679813318372
Energy: 0.6586683033046444
Energy: 0.5265679813318372
Energy: 0.6586683033046444
Energy: 0.5265679813318372
Energy: 0.6586683033046444
Energy: 0.5224681326695049
Energy: 0.5843962838336756
Energy: 0.5224681326695049
Energy: 0.5843962838336756
Energy: 0.5224681326695049
Energy: 0.5843962838336756
Energy: 0.5281739706460797
Energy: 0.5220211684731689
Energy: 0.5281739706460797
Energy: 0.5220211684726802
Energy: 0.5281739706460797
Energy: 0.5220211684731689
Energy: 0.5105810877702738
Energy: 0.5864770624374966
Energy: 0.5105810877702738
Energy: 0.5864770624374966
Energy: 0.5105810877702738
Energy: 0.5864770624374966
Energy: 0.6071417055859957
Energy: 0.6590438635299439
Energy: 0.6071417055859957
Energy: 0.6590438635299439
Energy: 0.6071417055859957
Energy: 0.6590438635299439
Energy: 0.549639487546924
Energy: 0.5075508867062876
Energy: 0.549639487546924
Energy: 0.5075508867062876
Energy: 0.5496394875474127
Energy: 0.5075508867062876
Energy: 0.47412506187612397
Energy: 0.585888562926892
Energy: 0.47412506187612397
Energy: 0.585888562926892
Energy: 0.47412506187612397
Energy: 0.5858885629273807

minimum gb energy = 0.47412506187612397 eV
minimum distance =  2.32256011989455 Angstroms
sigma value = 81


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

Energy: 0.011662215983447998
Energy: 0.0471356162833933
Energy: 0.011662215983447998
Energy: 0.0471356162833933
Energy: 0.011662215983447998
Energy: 0.0471356162833933
Energy: 0.42509555400908705
Energy: 0.012573140447047822
Energy: 0.42509555400908705
Energy: 0.012573140447047822
Energy: 0.4250955540108822
Energy: 0.012573140447047822
Energy: 0.42509815049262606
Energy: 0.01271662046604859
Energy: 0.42509815049262606
Energy: 0.01271662046604859
Energy: 0.42509815049262606
Energy: 0.01271662046604859
Energy: 0.011662215983447998
Energy: 0.0471356162833933
Energy: 0.011662215983447998
Energy: 0.0471356162833933
Energy: 0.011662215983447998
Energy: 0.0471356162833933
Energy: 0.42509555400908705
Energy: 0.012573140447047822
Energy: 0.42509555400908705
Energy: 0.012573140447047822
Energy: 0.42509555400908705
Energy: 0.012573140447047822
Energy: 0.4250981504944214
Energy: 0.01271662046604859
Energy: 0.42509815049262606
Energy: 0.01271662046604859
Energy: 0.4250981504944214
Energy: 0.01271662046604859
Energy: 0.011662215983447998
Energy: 0.0471356162833933
Energy: 0.011662215983447998
Energy: 0.0471356162833933
Energy: 0.011662215983447998
Energy: 0.0471356162833933
Energy: 0.42509555400908705
Energy: 0.012573140447047822
Energy: 0.4250955540108822
Energy: 0.012573140447047822
Energy: 0.42509555400908705
Energy: 0.012573140447047822
Energy: 0.4250981504944214
Energy: 0.01271662046604859
Energy: 0.42509815049262606
Energy: 0.01271662046604859
Energy: 0.42509815049262606
Energy: 0.01271662046604859
Energy: 0.011662215983447998
Energy: 0.0471356162833933
Energy: 0.011662215983447998
Energy: 0.0471356162833933
Energy: 0.011662215983447998
Energy: 0.0471356162833933

minimum gb energy = 0.011662215983447998 eV
minimum distance =  2.51504043401914 Angstroms
sigma value = 3


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

Energy: 0.4901481637534607
Energy: 0.4729142654712691
Energy: 0.4901481637534607
Energy: 0.4729142654712691
Energy: 0.4901481637534607
Energy: 0.4729142654712691
Energy: 0.41303724837843253
Energy: 0.4759405319014454
Energy: 0.41303724837843253
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Energy: 0.41303724837843253
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Energy: 0.49363438053913683
Energy: 0.4779691178013004
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Energy: 0.4995860963677234
Energy: 0.44928101143095545
Energy: 0.4995860963671861
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Energy: 0.4995860963677234
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Energy: 0.4164520243493801
Energy: 0.47764581707623105
Energy: 0.4164520243488429
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Energy: 0.4164520243488429
Energy: 0.47764581707623105
Energy: 0.4949146175952975
Energy: 0.48716781787559327
Energy: 0.4949146175952975
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Energy: 0.4949146175952975
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Energy: 0.4840441296131257
Energy: 0.4681644020310996
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Energy: 0.4681644020316368
Energy: 0.412132940706721
Energy: 0.4800719860814102
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Energy: 0.4800719860814102
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Energy: 0.4800719860814102
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Energy: 0.49402390884708314
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Energy: 0.504709473621251
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Energy: 0.45386715086008955
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Energy: 0.45569546593955734
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Energy: 0.4793320887164363
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Energy: 0.3394353457295022
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Energy: 0.4802268419502357
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Energy: 0.4519502090741003
Energy: 0.47498969613923686
Energy: 0.4519502090741003
Energy: 0.47498969613923686
Energy: 0.4519502090741003
Energy: 0.47498969613923686
Energy: 0.5071691759354966
Energy: 0.4915801994575246
Energy: 0.5071691759349595
Energy: 0.4915801994575246
Energy: 0.5071691759349595
Energy: 0.4915801994575246

minimum gb energy = 0.3394353457295022 eV
minimum distance =  2.38153008990495 Angstroms
sigma value = 67


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

Energy: 0.6557559451833049
Energy: 0.6119025940673017
Energy: 0.6557559451833049
Energy: 0.6119025940665361
Energy: 0.6557559451833049
Energy: 0.6119025940665361
Energy: 0.6118377179663566
Energy: 0.6244598437527756
Energy: 0.6118377179663566
Energy: 0.6244598437527756
Energy: 0.6118377179663566
Energy: 0.6244598437527756
Energy: 0.6473939175407939
Energy: 0.6326360892087461
Energy: 0.6473939175407939
Energy: 0.6326360892087461
Energy: 0.6473939175400285
Energy: 0.6326360892087461
Energy: 0.6419326563391072
Energy: 0.6313575023784281
Energy: 0.6419326563398727
Energy: 0.6313575023784281
Energy: 0.6419326563391072
Energy: 0.6313575023784281
Energy: 0.5578147594814151
Energy: 0.5982234491456703
Energy: 0.5578147594814151
Energy: 0.5982234491456703
Energy: 0.5578147594814151
Energy: 0.5982234491456703
Energy: 0.6475603922882065
Energy: 0.6340545059698658
Energy: 0.6475603922882065
Energy: 0.6340545059698658
Energy: 0.6475603922882065
Energy: 0.6340545059698658
Energy: 0.6578421767114254
Energy: 0.6056139973837983
Energy: 0.6578421767114254
Energy: 0.6056139973837983
Energy: 0.6578421767114254
Energy: 0.6056139973837983
Energy: 0.595661338960377
Energy: 0.587405850909205
Energy: 0.595661338960377
Energy: 0.587405850909205
Energy: 0.595661338960377
Energy: 0.587405850909205
Energy: 0.6648695657559678
Energy: 0.6728324375357196
Energy: 0.6648695657567333
Energy: 0.6728324375357196
Energy: 0.6648695657559678
Energy: 0.6728324375357196
Energy: 0.6267530011430239
Energy: 0.5692412701580214
Energy: 0.6267530011430239
Energy: 0.5692412701580214
Energy: 0.6267530011430239
Energy: 0.5692412701580214
Energy: 0.6276038938443194
Energy: 0.6398055388673997
Energy: 0.6276038938443194
Energy: 0.6398055388673997
Energy: 0.6276038938443194
Energy: 0.6398055388673997
Energy: 0.6134106882163316
Energy: 0.6356764841671521
Energy: 0.6134106882163316
Energy: 0.6356764841671521
Energy: 0.6134106882155661
Energy: 0.6356764841671521
Energy: 0.6262773829464003
Energy: 0.6064753091059274
Energy: 0.6262773829464003
Energy: 0.6064753091059274
Energy: 0.6262773829464003
Energy: 0.6064753091059274
Energy: 0.6170549668041905
Energy: 0.6311517787979181
Energy: 0.6170549668041905
Energy: 0.6311517787979181
Energy: 0.6170549668041905
Energy: 0.6311517787979181
Energy: 0.6029283652338764
Energy: 0.6057707178330864
Energy: 0.6029283652338764
Energy: 0.6057707178330864
Energy: 0.6029283652338764
Energy: 0.605770717832321
Energy: 0.638822029956254
Energy: 0.615786766474439
Energy: 0.638822029956254
Energy: 0.615786766474439
Energy: 0.638822029956254
Energy: 0.615786766474439
Energy: 0.6346931180845111
Energy: 0.6369363406922812
Energy: 0.6346931180845111
Energy: 0.6369363406922812
Energy: 0.6346931180845111
Energy: 0.6369363406922812
Energy: 0.602846755909937
Energy: 0.5973365340695358
Energy: 0.6028467559107025
Energy: 0.5973365340695358
Energy: 0.602846755909937
Energy: 0.5973365340695358
Energy: 0.633686255998977
Energy: 0.6480690463188128
Energy: 0.633686255998977
Energy: 0.6480690463195783
Energy: 0.633686255998977
Energy: 0.6480690463188128
Energy: 0.5578468745606003
Energy: 0.6338217886334117
Energy: 0.5578468745552417
Energy: 0.6338217886334117
Energy: 0.5578468745575382
Energy: 0.6338217886334117
Energy: 0.6459546121088909
Energy: 0.6152025948385266
Energy: 0.6459546121088909
Energy: 0.6152025948385266
Energy: 0.6459546121088909
Energy: 0.6152025948385266
Energy: 0.6456865220304697
Energy: 0.6735061356898752
Energy: 0.6456865220304697
Energy: 0.6735061356898752
Energy: 0.6456865220304697
Energy: 0.6735061356898752
Energy: 0.6031633919710826
Energy: 0.6344155354556211
Energy: 0.6031633919710826
Energy: 0.6344155354556211
Energy: 0.6031633919710826
Energy: 0.6344155354556211

minimum gb energy = 0.5578147594814151 eV
minimum distance =  2.38248955914233 Angstroms
sigma value = 33


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

Energy: 0.7474086585240789
Energy: 0.699686323086634
Energy: 0.7474086585240789
Energy: 0.699686323086634
Energy: 0.7474086585240789
Energy: 0.699686323086634
Energy: 0.6965847209510032
Energy: 0.711966454069658
Energy: 0.6965847209510032
Energy: 0.711966454069658
Energy: 0.6965847209505176
Energy: 0.711966454069658
Energy: 0.7297905324813684
Energy: 0.7195422662628509
Energy: 0.7297905324813684
Energy: 0.7195422662628509
Energy: 0.7297905324813684
Energy: 0.7195422662628509
Energy: 0.7354900884694499
Energy: 0.7247580035410768
Energy: 0.7354900884694499
Energy: 0.7247580035410768
Energy: 0.7354900884694499
Energy: 0.7247580035410768
Energy: 0.7103639684292395
Energy: 0.7126376897427089
Energy: 0.7103639684292395
Energy: 0.7126376897427089
Energy: 0.7103639684292395
Energy: 0.7126376897427089
Energy: 0.7716299567297153
Energy: 0.7746874633969291
Energy: 0.7716299567297153
Energy: 0.7746874633969291
Energy: 0.7716299567297153
Energy: 0.7746874633969291
Energy: 0.6963254667841925
Energy: 0.6876853004175799
Energy: 0.6963254667841925
Energy: 0.6876853004180655
Energy: 0.6963254667841925
Energy: 0.6876853004175799
Energy: 0.744999548323842
Energy: 0.739498083188186
Energy: 0.744999548323842
Energy: 0.739498083188186
Energy: 0.744999548323842
Energy: 0.739498083188186
Energy: 0.738087256189505
Energy: 0.7476021639354749
Energy: 0.738087256189505
Energy: 0.7476021639354749
Energy: 0.738087256189505
Energy: 0.7476021639354749
Energy: 0.7417435038061356
Energy: 0.7279631178280572
Energy: 0.7417435038061356
Energy: 0.6875365906843763
Energy: 0.7417435038061356
Energy: 0.687536590684862
Energy: 0.7426169125873426
Energy: 0.7170805414189352
Energy: 0.7426169125873426
Energy: 0.7170805414184496
Energy: 0.7426169125873426
Energy: 0.7170805414189352
Energy: 0.6956783536779435
Energy: 0.7054467434993077
Energy: 0.6956783536779435
Energy: 0.7054467434993077
Energy: 0.6956783536779435
Energy: 0.7054467434993077
Energy: 0.7417245699022837
Energy: 0.6990441190069789
Energy: 0.7417245699022837
Energy: 0.6990441190069789
Energy: 0.7417245699022837
Energy: 0.6990441190069789
Energy: 0.7017933697517494
Energy: 0.7222807709992353
Energy: 0.7017933697517494
Energy: 0.7222807709992353
Energy: 0.7017933697517494
Energy: 0.7222807709992353
Energy: 0.7182354923299382
Energy: 0.7146636781914826
Energy: 0.7182354923299382
Energy: 0.7146636781914826
Energy: 0.7182354923299382
Energy: 0.7146636781919682
Energy: 0.7348494657027019
Energy: 0.7363011198984152
Energy: 0.7348494657027019
Energy: 0.7363011198984152
Energy: 0.7348494657027019
Energy: 0.7363011198984152
Energy: 0.666507387565938
Energy: 0.7206688158827999
Energy: 0.6665073875649667
Energy: 0.7206688158827999
Energy: 0.6665073875654524
Energy: 0.7206688158827999
Energy: 0.7540874019705727
Energy: 0.7667210630752812
Energy: 0.7540874019705727
Energy: 0.7667210630757668
Energy: 0.7540874019705727
Energy: 0.7667210630752812
Energy: 0.6845870765666345
Energy: 0.7444925000791721
Energy: 0.6845870765661488
Energy: 0.7444925000796578
Energy: 0.6845870765656632
Energy: 0.7444925000796578
Energy: 0.710021932248291
Energy: 0.7193017398043922
Energy: 0.710021932248291
Energy: 0.7193017398043922
Energy: 0.7100219322487766
Energy: 0.7193017398039065
Energy: 0.7291429982990763
Energy: 0.7399534828250449
Energy: 0.7291429982990763
Energy: 0.7399534828250449
Energy: 0.7291429982990763
Energy: 0.7399534828250449
Energy: 0.6989295467938764
Energy: 0.6957673469405856
Energy: 0.6989295467938764
Energy: 0.6957673469410712
Energy: 0.6989295467938764
Energy: 0.6957673469410712
Energy: 0.7290810003824287
Energy: 0.7173068456837979
Energy: 0.7290810003824287
Energy: 0.7173068456842835
Energy: 0.7290810003824287
Energy: 0.7173068456837979
Energy: 0.7393529551628106
Energy: 0.7011622340735212
Energy: 0.7393529551628106
Energy: 0.7011622340735212
Energy: 0.7393529551628106
Energy: 0.7011622340735212
Energy: 0.6945105978779283
Energy: 0.7038361798076374
Energy: 0.6945105978779283
Energy: 0.7038361798076374
Energy: 0.6945105978779283
Energy: 0.7038361798081231
Energy: 0.7285306175255094
Energy: 0.7318253245402853
Energy: 0.728530617525995
Energy: 0.7318253245402853
Energy: 0.7285306175255094
Energy: 0.7318253245402853
Energy: 0.6963246155578552
Energy: 0.6958882415705346
Energy: 0.6963246155578552
Energy: 0.6958882415710204
Energy: 0.6963246155578552
Energy: 0.6958882415705346
Energy: 0.7281796462551191
Energy: 0.7869147100370406
Energy: 0.7281796462551191
Energy: 0.7869147100370406
Energy: 0.7281796462551191
Energy: 0.7869147100370406
Energy: 0.703567717916668
Energy: 0.7111551668376342
Energy: 0.703567717916668
Energy: 0.7111551668376342
Energy: 0.703567717916668
Energy: 0.7111551668376342
Energy: 0.6862210307575757
Energy: 0.6844735527875597
Energy: 0.6862210307575757
Energy: 0.6844735527875597
Energy: 0.6862210307575757
Energy: 0.6844735527875597
Energy: 0.7742584149388485
Energy: 0.7680102682305899
Energy: 0.7742584149388485
Energy: 0.7680102682305899
Energy: 0.7742584149388485
Energy: 0.7680102682305899
Energy: 0.7172127880103578
Energy: 0.7182620264136292
Energy: 0.7172127880103578
Energy: 0.7182620264136292
Energy: 0.7172127880103578
Energy: 0.7182620264136292
Energy: 0.7374849995275254
Energy: 0.7360068969838195
Energy: 0.7374849995275254
Energy: 0.7360068969838195
Energy: 0.7374849995275254
Energy: 0.7360068969838195
Energy: 0.7136379493544611
Energy: 0.7140518229256382
Energy: 0.7136379493544611
Energy: 0.7140518229256382
Energy: 0.7136379493544611
Energy: 0.7140518229256382
Energy: 0.7000676310128957
Energy: 0.7203189037974707
Energy: 0.7000676310128957
Energy: 0.7203189037974707
Energy: 0.7000676310128957
Energy: 0.7203189037974707
Energy: 0.7463610570912598
Energy: 0.6966953288075973
Energy: 0.7463610570912598
Energy: 0.6966953288075973
Energy: 0.7463610570912598
Energy: 0.6966953288075973
Energy: 0.6989803170796974
Energy: 0.7062039197253613
Energy: 0.6989803170796974
Energy: 0.7062039197253613
Energy: 0.6989803170796974
Energy: 0.7062039197253613

minimum gb energy = 0.6665073875649667 eV
minimum distance =  2.36631697786383 Angstroms
sigma value = 41


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

Energy: 0.8796240618540897
Energy: 0.8494481846896912
Energy: 0.8796240618540897
Energy: 0.8494481846896912
Energy: 0.8796240618540897
Energy: 0.8494481846896912
Energy: 0.8270724011248122
Energy: 0.8601578048006673
Energy: 0.8270724011248122
Energy: 0.8601578048006673
Energy: 0.8270724011248122
Energy: 0.8601578048006673
Energy: 0.9159439050653139
Energy: 0.8492083612059095
Energy: 0.9159439050653139
Energy: 0.8492083612059095
Energy: 0.9159439050653139
Energy: 0.8492083612059095
Energy: 0.8717820513259762
Energy: 0.891051137181403
Energy: 0.8717820513259762
Energy: 0.891051137181403
Energy: 0.8717820513259762
Energy: 0.891051137181403
Energy: 0.8213692441278787
Energy: 0.8460534590115859
Energy: 0.8213692441278787
Energy: 0.8460534590115859
Energy: 0.8213692441278787
Energy: 0.8460534590115859
Energy: 0.944762934911428
Energy: 0.9111898780144622
Energy: 0.944762934911428
Energy: 0.9111898780144622
Energy: 0.944762934911428
Energy: 0.9111898780144622
Energy: 0.8703755407671346
Energy: 0.8131359586839045
Energy: 0.8703755407671346
Energy: 0.8131359586839045
Energy: 0.8703755407671346
Energy: 0.8131359586839045
Energy: 0.8758236760592659
Energy: 0.8538706712716503
Energy: 0.8758236760592659
Energy: 0.8538706712716503
Energy: 0.8758236760592659
Energy: 0.8538706712716503
Energy: 0.8309595418774899
Energy: 0.8285647492819427
Energy: 0.8309595418774899
Energy: 0.8285647492819427
Energy: 0.8309595418774899
Energy: 0.8285647492819427
Energy: 0.872072883234058
Energy: 0.8575743320894453
Energy: 0.872072883234058
Energy: 0.8575743320894453
Energy: 0.8720728832327322
Energy: 0.8575743320894453
Energy: 0.8272373620726879
Energy: 0.8495047952918043
Energy: 0.8272373620740139
Energy: 0.8495047952918043
Energy: 0.8272373620740139
Energy: 0.8495047952918043
Energy: 0.8686328643776539
Energy: 0.86360244661567
Energy: 0.8686328643776539
Energy: 0.86360244661567
Energy: 0.8686328643776539
Energy: 0.86360244661567
Energy: 0.8831089941693824
Energy: 0.8907824212004212
Energy: 0.8831089941693824
Energy: 0.8907824212004212
Energy: 0.8831089941693824
Energy: 0.8907824212004212
Energy: 0.8268863366668425
Energy: 0.8533704565942077
Energy: 0.8268863366681684
Energy: 0.8533704565942077
Energy: 0.8268863366668425
Energy: 0.8533704565942077

minimum gb energy = 0.8131359586839045 eV
minimum distance =  2.34270518849055 Angstroms
sigma value = 11


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

Energy: 1.0357911239336577
Energy: 1.0016038747219416
Energy: 1.0357911239336577
Energy: 1.0016038747219416
Energy: 1.0357911239336577
Energy: 1.0016038747213594
Energy: 0.9129410950677742
Energy: 0.963801334321211
Energy: 0.9129410950683566
Energy: 0.963801334321211
Energy: 0.9129410950677742
Energy: 0.963801334321211
Energy: 0.9727155859961879
Energy: 0.9674787075854198
Energy: 0.9727155859961879
Energy: 0.9674787075860023
Energy: 0.9727155859961879
Energy: 0.9674787075854198
Energy: 0.9647898637670972
Energy: 0.9252384818668989
Energy: 0.9647898637670972
Energy: 0.9252384818668989
Energy: 0.9647898637670972
Energy: 0.9252384818668989
Energy: 0.9838734407804307
Energy: 0.9643380673511324
Energy: 0.9838734407810132
Energy: 0.9643380673511324
Energy: 0.9838734407804307
Energy: 0.9643380673511324
Energy: 0.9527234829406653
Energy: 0.9907976455602433
Energy: 0.9527234829400829
Energy: 0.9907976455602433
Energy: 0.9527234829400829
Energy: 0.9907976455602433
Energy: 0.9703486215281042
Energy: 0.9457658349547978
Energy: 0.9703486215281042
Energy: 0.9457658349547978
Energy: 0.9703486215281042
Energy: 0.9457658349553801
Energy: 0.9557895515743011
Energy: 0.9643902529259984
Energy: 0.9557895515743011
Energy: 0.9643902529259984
Energy: 0.9557895515743011
Energy: 0.9643902529259984
Energy: 0.9689291319991551
Energy: 0.9594186577548123
Energy: 0.9689291319991551
Energy: 0.9594186577548123
Energy: 0.9689291319991551
Energy: 0.9594186577548123
Energy: 0.9597544066890392
Energy: 0.9727808379695897
Energy: 0.9597544066890392
Energy: 0.9727808379695897
Energy: 0.9597544066890392
Energy: 0.9727808379695897
Energy: 0.9320083694121363
Energy: 0.9591167516468105
Energy: 0.9320083694121363
Energy: 0.9591167516468105
Energy: 0.9320083694121363
Energy: 0.9591167516468105
Energy: 0.9759488821854023
Energy: 0.9736028614152807
Energy: 0.9759488821854023
Energy: 0.9736028614152807
Energy: 0.9759488821854023
Energy: 0.9736028614152807
Energy: 0.966012207008413
Energy: 0.9438409458635333
Energy: 0.966012207008413
Energy: 0.9438409458635333
Energy: 0.966012207008413
Energy: 0.9438409458635333
Energy: 0.9640397671829166
Energy: 0.95798547400147
Energy: 0.9640397671829166
Energy: 0.95798547400147
Energy: 0.9640397671829166
Energy: 0.95798547400147
Energy: 0.9464436308352862
Energy: 0.9543299040766419
Energy: 0.9464436308352862
Energy: 0.9543299040766419
Energy: 0.9464436308352862
Energy: 0.9543299040766419
Energy: 0.9626921417587382
Energy: 0.9480493586205108
Energy: 0.9626921417587382
Energy: 0.9480493586205108
Energy: 0.9626921417587382
Energy: 0.9480493586205108
Energy: 0.9328795536594402
Energy: 0.9563257998954455
Energy: 0.9328795536594402
Energy: 0.9563257998960281
Energy: 0.9328795536594402
Energy: 0.9563257998960281
Energy: 1.0000625811979569
Energy: 0.9829472991541824
Energy: 1.0000625811979569
Energy: 0.9829472991541824
Energy: 1.0000625811979569
Energy: 0.9829472991541824
Energy: 0.9427965436175892
Energy: 0.9022943592900576
Energy: 0.9427965436175892
Energy: 0.9022943592900576
Energy: 0.9427965436175892
Energy: 0.9022943592900576
Energy: 0.9477705762295637
Energy: 0.9578649549539024
Energy: 0.9477705762295637
Energy: 0.9578649549539024
Energy: 0.9477705762289812
Energy: 0.9578649549539024
Energy: 0.9264829354845369
Energy: 0.9467432743119795
Energy: 0.9264829354845369
Energy: 0.9467432743119795
Energy: 0.9264829354845369
Energy: 0.9467432743119795
Energy: 0.9780208948415137
Energy: 0.990986208297161
Energy: 0.9780208948415137
Energy: 0.990986208297161
Energy: 0.9780208948415137
Energy: 0.990986208297161
Energy: 0.9617230773173664
Energy: 0.9676003986002935
Energy: 0.9617230773173664
Energy: 0.9676003985997111
Energy: 0.9617230773179489
Energy: 0.9676003986002935
Energy: 0.9974387499221228
Energy: 0.9642716411513471
Energy: 0.9974387499221228
Energy: 0.9642716411513471
Energy: 0.9974387499221228
Energy: 0.9642716411513471
Energy: 0.9592803700281028
Energy: 0.9528353321000981
Energy: 0.9592803700281028
Energy: 0.9528353321000981
Energy: 0.9592803700281028
Energy: 0.9528353321000981
Energy: 0.9428882127057694
Energy: 0.9588892152920064
Energy: 0.9428882127057694
Energy: 0.9588892152920064
Energy: 0.9428882127057694
Energy: 0.9588892152920064
Energy: 0.9505113759274286
Energy: 0.9878922495869479
Energy: 0.9505113759274286
Energy: 0.9878922495869479
Energy: 0.9505113759274286
Energy: 0.9878922495863655
Energy: 0.9764059432361514
Energy: 0.9454501701897158
Energy: 0.9764059432361514
Energy: 0.9454501701897158
Energy: 0.9764059432361514
Energy: 0.9454501701897158
Energy: 0.9621174391058771
Energy: 0.9679845678895767
Energy: 0.9621174391058771
Energy: 0.9679845678895767
Energy: 0.9621174391058771
Energy: 0.9679845678895767
Energy: 0.9463072754505386
Energy: 0.9069137101647717
Energy: 0.9463072754505386
Energy: 0.9069137101647717
Energy: 0.9463072754505386
Energy: 0.9069137101647717
Energy: 0.9600631577612527
Energy: 0.9964772689826112
Energy: 0.9600631577612527
Energy: 0.9964772689831937
Energy: 0.9600631577612527
Energy: 0.9964772689826112

minimum gb energy = 0.9022943592900576 eV
minimum distance =  2.31611913129739 Angstroms
sigma value = 57


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

Energy: 0.9314518989053799
Energy: 0.9100613787501654
Energy: 0.9314518989053799
Energy: 0.9100613787501654
Energy: 0.9314518989053799
Energy: 0.9100613787501654
Energy: 0.9734824540356231
Energy: 0.9833077633034141
Energy: 0.9734824540356231
Energy: 0.9833077633034141
Energy: 0.9734824540356231
Energy: 0.9833077633034141
Energy: 0.9866706627774404
Energy: 0.9658551611691046
Energy: 0.9866706627774404
Energy: 0.9658551611691046
Energy: 0.9866706627774404
Energy: 0.9658551611701413
Energy: 0.927741101872697
Energy: 0.9918441457218877
Energy: 0.927741101872697
Energy: 0.9918441457218877
Energy: 0.927741101872697
Energy: 0.9918441457218877
Energy: 0.9867027793803834
Energy: 0.965860131022365
Energy: 0.9867027793803834
Energy: 0.965860131022365
Energy: 0.9867027793803834
Energy: 0.965860131022365
Energy: 0.9735230088920327
Energy: 0.9862835266983081
Energy: 0.9735230088920327
Energy: 0.9862835266983081
Energy: 0.9735230088920327
Energy: 0.9862835266983081
Energy: 0.9314518989053799
Energy: 0.9100613787501654
Energy: 0.9314518989053799
Energy: 0.9100613787501654
Energy: 0.9314518989053799
Energy: 0.9100613787501654
Energy: 0.9734824540356231
Energy: 0.9833077633034141
Energy: 0.9734824540356231
Energy: 0.9833077633034141
Energy: 0.9734824540356231
Energy: 0.9833077633034141
Energy: 0.9866706627774404
Energy: 0.9658551611691046
Energy: 0.9866706627774404
Energy: 0.9658551611691046
Energy: 0.9866706627774404
Energy: 0.9658551611691046
Energy: 0.927741101872697
Energy: 0.9918441457218877
Energy: 0.927741101872697
Energy: 0.9918441457218877
Energy: 0.927741101872697
Energy: 0.9918441457218877
Energy: 0.9867027793803834
Energy: 0.965860131022365
Energy: 0.9867027793803834
Energy: 0.965860131022365
Energy: 0.9867027793803834
Energy: 0.965860131022365
Energy: 0.9735230088920327
Energy: 0.9862835266983081
Energy: 0.9735230088920327
Energy: 0.9862835266972717
Energy: 0.9735230088920327
Energy: 0.9862835266983081
Energy: 0.9314518989053799
Energy: 0.9100613787501654
Energy: 0.9314518989053799
Energy: 0.9100613787501654
Energy: 0.9314518989053799
Energy: 0.9100613787501654
Energy: 0.9734824540356231
Energy: 0.9833077633034141
Energy: 0.9734824540356231
Energy: 0.9833077633034141
Energy: 0.9734824540356231
Energy: 0.9833077633034141
Energy: 0.9866706627774404
Energy: 0.9658551611691046
Energy: 0.9866706627774404
Energy: 0.9658551611691046
Energy: 0.9866706627774404
Energy: 0.9658551611691046
Energy: 0.927741101872697
Energy: 0.9918441457218877
Energy: 0.927741101872697
Energy: 0.9918441457218877
Energy: 0.927741101872697
Energy: 0.9918441457218877
Energy: 0.9867027793803834
Energy: 0.965860131022365
Energy: 0.9867027793803834
Energy: 0.965860131022365
Energy: 0.9867027793803834
Energy: 0.965860131022365

minimum gb energy = 0.9100613787501654 eV
minimum distance =  2.35245519828383 Angstroms
sigma value = 9


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

Energy: 1.0205999350186108
Energy: 0.9555263663371344
Energy: 1.0205999350186108
Energy: 0.9555263663371344
Energy: 1.0205999350186108
Energy: 0.9555263663371344
Energy: 0.9843924655472004
Energy: 0.9855506522955104
Energy: 0.9843924655480467
Energy: 0.9855506522955104
Energy: 0.9843924655480467
Energy: 0.9855506522955104
Energy: 0.977116011787811
Energy: 0.9856593426710799
Energy: 0.977116011787811
Energy: 0.9856593426710799
Energy: 0.977116011787811
Energy: 0.9856593426719261
Energy: 0.9686051595852563
Energy: 1.0420675965704242
Energy: 0.9686051595852563
Energy: 1.0420675965704242
Energy: 0.9686051595852563
Energy: 1.0420675965704242
Energy: 0.9849441608132363
Energy: 0.9984359493178301
Energy: 0.9849441608140826
Energy: 0.9984359493178301
Energy: 0.9849441608140826
Energy: 0.9984359493178301
Energy: 0.9879598083882087
Energy: 0.9947701036918838
Energy: 0.9879598083882087
Energy: 0.9947701036918838
Energy: 0.9879598083882087
Energy: 0.9947701036918838
Energy: 0.977350548132437
Energy: 0.9903648528722725
Energy: 0.977350548132437
Energy: 0.9903648528722725
Energy: 0.977350548132437
Energy: 0.9903648528722725
Energy: 0.9699692247503849
Energy: 1.0098702732659242
Energy: 0.9699692247503849
Energy: 1.009870273265078
Energy: 0.9699692247503849
Energy: 1.0098702732659242
Energy: 1.0546275592115948
Energy: 0.9829229743614584
Energy: 1.0546275592115948
Energy: 0.982922974360612
Energy: 1.0546275592115948
Energy: 0.982922974360612
Energy: 0.9792860828744788
Energy: 0.971406162047837
Energy: 0.9792860828744788
Energy: 0.971406162047837
Energy: 0.9792860828744788
Energy: 0.971406162047837
Energy: 0.967362650456616
Energy: 0.9814178337839209
Energy: 0.967362650456616
Energy: 0.9814178337839209
Energy: 0.967362650456616
Energy: 0.9814178337839209
Energy: 1.028450979008741
Energy: 0.9911573732414486
Energy: 1.028450979008741
Energy: 0.9911573732414486
Energy: 1.028450979008741
Energy: 0.9911573732414486
Energy: 0.9757345297387803
Energy: 1.0102291165232364
Energy: 0.9757345297387803
Energy: 1.0102291165232364
Energy: 0.9757345297387803
Energy: 1.0102291165232364
Energy: 0.9824498338601535
Energy: 0.974348047272222
Energy: 0.9824498338601535
Energy: 0.9743480472713757
Energy: 0.9824498338601535
Energy: 0.9743480472713757
Energy: 1.032294852644915
Energy: 0.9795586878706839
Energy: 1.032294852644915
Energy: 0.9795586878706839
Energy: 0.989200246803737
Energy: 0.9795586878706839
Energy: 1.026412347024221
Energy: 0.9823526552410715
Energy: 1.026412347024221
Energy: 0.9823526552410715
Energy: 1.026412347024221
Energy: 0.9823526552410715
Energy: 1.0116945108385502
Energy: 0.9810366080206703
Energy: 1.0116945108385502
Energy: 0.9810366080206703
Energy: 1.0116945108385502
Energy: 0.9810366080206703
Energy: 1.0897602205097152
Energy: 0.9811088570232325
Energy: 1.0897602205097152
Energy: 0.9811088570232325
Energy: 1.0897602205097152
Energy: 0.9811088570232325
Energy: 0.9737115805979182
Energy: 0.9781315115958762
Energy: 0.9737115805979182
Energy: 0.9781315115958762
Energy: 0.9737115805979182
Energy: 0.9781315115958762
Energy: 0.9826029728765996
Energy: 0.9553412309842115
Energy: 0.9826029728765996
Energy: 0.9553412309842115
Energy: 0.9826029728765996
Energy: 0.9553412309833652
Energy: 1.0310005786049208
Energy: 1.0038712053223642
Energy: 1.0310005786049208
Energy: 1.0038712053232106
Energy: 1.0310005786049208
Energy: 1.0038712053223642

minimum gb energy = 0.9553412309833652 eV
minimum distance =  2.32277996231561 Angstroms
sigma value = 27


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

Energy: 1.006712807480594
Energy: 0.9588321049776946
Energy: 0.9643240165881652
Energy: 0.9588321049776946
Energy: 1.0067128074813072
Energy: 0.9588321049776946
Energy: 0.9766625100908716
Energy: 0.9402330745528527
Energy: 0.9766625100908716
Energy: 0.9402330745528527
Energy: 0.9766625100908716
Energy: 0.9402330745528527
Energy: 0.9407379516407891
Energy: 0.9989555250039994
Energy: 0.9407379516407891
Energy: 0.9989555250039994
Energy: 0.9407379516407891
Energy: 0.9989555250039994
Energy: 0.9420240945511139
Energy: 1.004830588852479
Energy: 0.9420240945511139
Energy: 1.004830588852479
Energy: 0.9420240945511139
Energy: 1.004830588852479
Energy: 0.9415108129189074
Energy: 0.908399739277108
Energy: 0.9415108129189074
Energy: 0.908399739277108
Energy: 0.9415108129189074
Energy: 0.908399739277108
Energy: 0.9602748369916113
Energy: 0.9679001602045799
Energy: 0.9602748369916113
Energy: 0.9679001602038665
Energy: 0.9602748369916113
Energy: 0.9679001602038665
Energy: 0.9642125877183283
Energy: 0.9591485490112144
Energy: 0.9642125877183283
Energy: 0.9591485490112144
Energy: 0.9642125877183283
Energy: 0.9591485490112144
Energy: 1.0397572637335895
Energy: 0.9852138658600897
Energy: 1.0397572637335895
Energy: 0.9852138658600897
Energy: 1.0397572637335895
Energy: 0.985213865860803
Energy: 0.9031472749855568
Energy: 0.9677482435182689
Energy: 0.9031472749855568
Energy: 0.9677482435182689
Energy: 0.9031472749855568
Energy: 0.9677482435182689
Energy: 0.9419865070175084
Energy: 0.9032164815118673
Energy: 0.9419865070175084
Energy: 0.9032164815118673
Energy: 0.9419865070175084
Energy: 0.9032164815118673
Energy: 0.942539471055929
Energy: 0.9519762879563375
Energy: 0.942539471055929
Energy: 0.9519762879563375
Energy: 0.942539471055929
Energy: 0.9519762879556241
Energy: 0.9576644094151485
Energy: 0.975483488209882
Energy: 0.9576644094151485
Energy: 0.975483488209882
Energy: 0.9576644094151485
Energy: 0.975483488209882
Energy: 0.9869132735739975
Energy: 1.0464370216469814
Energy: 0.9869132735739975
Energy: 1.0464370216476946
Energy: 0.9869132735739975
Energy: 1.0464370216476946
Energy: 0.9641225086410505
Energy: 0.903619625141967
Energy: 0.9641225086410505
Energy: 0.9036196251405402
Energy: 0.9641225086410505
Energy: 0.9036196251405402
Energy: 0.958919788584774
Energy: 0.9674723128498499
Energy: 0.9589197885840607
Energy: 0.9674723128498499
Energy: 0.9589197885840607
Energy: 0.9674723128498499
Energy: 0.9411470398473745
Energy: 0.9086112152962218
Energy: 0.9411470398473745
Energy: 0.9086112152962218
Energy: 0.9411470398473745
Energy: 0.9086112152962218
Energy: 0.9568831644754264
Energy: 0.9420038757036685
Energy: 0.9568831644754264
Energy: 0.9420038757036685
Energy: 0.9568831644754264
Energy: 0.9420038757036685
Energy: 1.004026453367622
Energy: 0.9629270357377779
Energy: 1.004026453367622
Energy: 0.9629270357377779
Energy: 1.004026453367622
Energy: 0.9629270357377779
Energy: 0.9541549595345784
Energy: 0.9403237623083244
Energy: 0.9181500124779924
Energy: 0.9403237623083244
Energy: 0.9541549595345784
Energy: 0.9403237623083244
Energy: 1.0067128074813072
Energy: 0.9588321049776946
Energy: 0.9643240165881652
Energy: 0.9588321049776946
Energy: 1.006712807480594
Energy: 0.9588321049776946
Energy: 0.9766625100908716
Energy: 0.9402330745521392
Energy: 0.9766625100908716
Energy: 0.9402330745528527
Energy: 0.9766625100908716
Energy: 0.9402330745528527
Energy: 0.9407379516407891
Energy: 0.9989555250039994
Energy: 0.9407379516407891
Energy: 0.9989555250039994
Energy: 0.9407379516407891
Energy: 0.9989555250039994
Energy: 0.9420240945511139
Energy: 1.004830588852479
Energy: 0.9420240945511139
Energy: 1.004830588852479
Energy: 0.9420240945511139
Energy: 1.004830588852479
Energy: 0.9415108129189074
Energy: 0.908399739277108
Energy: 0.9415108129189074
Energy: 0.908399739277108
Energy: 0.9415108129189074
Energy: 0.908399739277108
Energy: 0.9602748369916113
Energy: 0.9679001602038665
Energy: 0.9602748369916113
Energy: 0.9679001602038665
Energy: 0.9602748369909303
Energy: 0.9679001602038665

minimum gb energy = 0.9031472749855568 eV
minimum distance =  2.34549508512112 Angstroms
sigma value = 19


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

Energy: 0.9581237015450469
Energy: 0.95328780621175
Energy: 0.9581237015450469
Energy: 0.95328780621175
Energy: 0.9581237015450469
Energy: 0.95328780621175
Energy: 0.9489832221615448
Energy: 0.9415750784433417
Energy: 0.948983222160929
Energy: 0.9415750784433417
Energy: 0.9489832221615448
Energy: 0.9415750784433417
Energy: 0.9984751358531225
Energy: 0.9171185111987914
Energy: 0.9550540828210662
Energy: 0.9171185111987914
Energy: 0.9550540828210662
Energy: 0.9171185111987914
Energy: 0.930230928908058
Energy: 0.9419736968540589
Energy: 0.930230928908058
Energy: 0.9419736968540589
Energy: 0.930230928908058
Energy: 0.9419736968540589
Energy: 0.9487210859447998
Energy: 0.9733688450404319
Energy: 0.9487210859447998
Energy: 0.9733688450410476
Energy: 0.948721085944184
Energy: 0.9733688450410476
Energy: 0.9374502648180122
Energy: 0.9341646189171492
Energy: 0.9374502648180122
Energy: 0.9341646189171492
Energy: 0.9374502648180122
Energy: 0.9341646189171492
Energy: 0.9211588022187746
Energy: 1.0166442204802786
Energy: 0.9211588022187746
Energy: 1.0166442204802786
Energy: 0.9211588022187746
Energy: 1.0166442204802786
Energy: 0.9432133818291781
Energy: 0.9660240712332807
Energy: 0.9432133818291781
Energy: 0.9660240712338964
Energy: 0.9432133818291781
Energy: 0.9660240712338964
Energy: 0.9978124227275884
Energy: 0.9160358397016204
Energy: 0.9978124227275884
Energy: 0.9160358397016204
Energy: 0.9978124227275884
Energy: 0.9160358397016204
Energy: 0.9706444648827491
Energy: 0.9438469726459798
Energy: 0.9706444648827491
Energy: 0.9438469726459798
Energy: 0.9706444648827491
Energy: 0.9438469726459798
Energy: 0.9189068219598123
Energy: 0.9641211332696191
Energy: 0.9189068219598123
Energy: 0.9641211332696191
Energy: 0.9189068219598123
Energy: 0.9641211332696191
Energy: 0.9519195766659313
Energy: 0.9163401528059207
Energy: 0.9519195766659313
Energy: 0.9163401528059207
Energy: 0.9519195766659313
Energy: 0.9163401528059207
Energy: 0.945421962742271
Energy: 0.9408971786603914
Energy: 0.945421962742271
Energy: 0.9408971786603914
Energy: 0.945421962742271
Energy: 0.9408971786603914
Energy: 0.9307271823800805
Energy: 0.9414222505728532
Energy: 0.9307271823800805
Energy: 0.9414222505728532
Energy: 0.9307271823806963
Energy: 0.9414222505728532
Energy: 0.9634049373860345
Energy: 0.9200923579432945
Energy: 0.9634049373860345
Energy: 0.9200923579432945
Energy: 0.9634049373860345
Energy: 0.9200923579432945
Energy: 0.9552546760587587
Energy: 0.9170208331218925
Energy: 0.9552546760587587
Energy: 0.9170208331218925
Energy: 0.9552546760587587
Energy: 0.9170208331218925
Energy: 0.9297877147760369
Energy: 0.9492647747221536
Energy: 0.9297877147760369
Energy: 0.9492647747221536
Energy: 0.9297877147760369
Energy: 0.9492647747221536
Energy: 0.9606012998448858
Energy: 0.9885774566947243
Energy: 0.9606012998448858
Energy: 0.9885774566947243
Energy: 0.9606012998448858
Energy: 0.9885774566941087
Energy: 0.9716575149144661
Energy: 0.9314668607575909
Energy: 0.9716575149144661
Energy: 0.9314668607575909
Energy: 0.9351572652750871
Energy: 0.9314668607575909
Energy: 0.9318541170062516
Energy: 0.9488868282770545
Energy: 0.9318541170062516
Energy: 0.9488868282770545
Energy: 0.9318541170062516
Energy: 0.9488868282770545
Energy: 0.921841528432266
Energy: 0.9650879267444625
Energy: 0.921841528432266
Energy: 0.9650879267444625
Energy: 0.921841528432266
Energy: 0.9650879267444625
Energy: 0.9997261284707525
Energy: 0.9273148098119962
Energy: 0.9997261284707525
Energy: 0.9273148098119962
Energy: 0.9997261284707525
Energy: 0.9273148098119962
Energy: 1.0000355231857947
Energy: 0.9482803139494452
Energy: 1.0000355231857947
Energy: 0.9482803139494452
Energy: 1.0000355231857947
Energy: 0.9482803139494452
Energy: 0.9573217940445846
Energy: 0.9590334793287129
Energy: 0.9573217940445846
Energy: 0.9590334793287129
Energy: 0.9573217940452005
Energy: 0.9590334793287129
Energy: 0.9399865495799101
Energy: 0.9244026774640043
Energy: 0.9399865495799101
Energy: 0.9244026774640043
Energy: 0.9399865495799101
Energy: 0.9244026774640043
Energy: 0.9510753688605266
Energy: 0.9330916978032964
Energy: 0.9510753688605266
Energy: 0.9330916978032964
Energy: 0.9510753688605266
Energy: 0.9330916978032964
Energy: 0.9173149915952721
Energy: 0.9449623902697101
Energy: 0.9173149915946563
Energy: 0.9449623902697101
Energy: 0.9173149915946563
Energy: 0.9449623902697101
Energy: 0.9592062067859379
Energy: 0.9363392764524634
Energy: 0.9592062067859379
Energy: 0.9363392764524634
Energy: 0.9592062067859379
Energy: 0.9363392764524634
Energy: 0.9476021083733336
Energy: 0.9366294871085699
Energy: 0.9476021083733336
Energy: 0.9366294871085699
Energy: 0.9476021083733336
Energy: 0.9366294871085699

minimum gb energy = 0.9160358397016204 eV
minimum distance =  2.31673728639798 Angstroms
sigma value = 101


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

Energy: 0.905851961421295
Energy: 0.9536391307599925
Energy: 0.9058519614218362
Energy: 0.9536391307599925
Energy: 0.905851961421295
Energy: 0.9536391307599925
Energy: 0.9513339757890893
Energy: 0.9026320870393121
Energy: 0.9513339757890893
Energy: 0.9026320870393121
Energy: 0.9513339757890893
Energy: 0.9026320870393121
Energy: 0.9249887232669217
Energy: 0.8759548684156482
Energy: 0.9249887232669217
Energy: 0.8759548684156482
Energy: 0.9249887232669217
Energy: 0.8759548684156482
Energy: 0.8696679561018392
Energy: 0.9567420472409008
Energy: 0.8696679561023802
Energy: 0.9210491897708976
Energy: 0.8696679561018392
Energy: 0.9210491897708976
Energy: 0.9032956688568989
Energy: 0.9281119297604657
Energy: 0.9032956688568989
Energy: 0.9281119297604657
Energy: 0.9032956688568989
Energy: 0.9281119297604657
Energy: 0.915860533302241
Energy: 0.8752981921640411
Energy: 0.9158605333027823
Energy: 0.8752981921640411
Energy: 0.9158605333027823
Energy: 0.8752981921640411
Energy: 0.9015352217328811
Energy: 0.928713168011405
Energy: 0.9015352217328811
Energy: 0.928713168011405
Energy: 0.9015352217328811
Energy: 0.928713168011405
Energy: 0.8704267100106406
Energy: 0.9632020553973778
Energy: 0.8704267100106406
Energy: 0.9313161937742735
Energy: 0.8704267100106406
Energy: 0.9313161937742735
Energy: 0.9173593227872352
Energy: 0.876688461751872
Energy: 0.9173593227872352
Energy: 0.876688461751872
Energy: 0.9173593227872352
Energy: 0.876688461751872
Energy: 0.9037822742100139
Energy: 0.9336223437081274
Energy: 0.9037822742100139
Energy: 0.9336223437081274
Energy: 0.9037822742100139
Energy: 0.9336223437081274
Energy: 0.8680382974683939
Energy: 1.022428942052878
Energy: 0.8680382974683939
Energy: 1.022428942052878
Energy: 0.8680382974683939
Energy: 1.022428942052878
Energy: 0.9611150329022438
Energy: 0.9346394069352135
Energy: 0.9611150329022438
Energy: 0.9018931130115312
Energy: 0.9611150329022438
Energy: 0.9018931130115312
Energy: 0.91876355398286
Energy: 0.8749153240398334
Energy: 0.91876355398286
Energy: 0.8749153240398334
Energy: 0.91876355398286
Energy: 0.8749153240398334
Energy: 0.9103811873224193
Energy: 0.947424841216019
Energy: 0.9103811873224193
Energy: 0.947424841216019
Energy: 0.9103811873224193
Energy: 0.9474248412154778
Energy: 0.9506904745874754
Energy: 0.9026339747629873
Energy: 0.9506904745874754
Energy: 0.9026339747635287
Energy: 0.9506904745874754
Energy: 0.9026339747635287
Energy: 0.9253890622840177
Energy: 0.8752490455194665
Energy: 0.9253890622840177
Energy: 0.8752490455200077
Energy: 0.9253890622840177
Energy: 0.8752490455194665
Energy: 0.8657419028889366
Energy: 0.939322531598828
Energy: 0.8657419028889366
Energy: 0.939322531598828
Energy: 0.8657419028889366
Energy: 0.939322531598828
Energy: 0.8649264109712929
Energy: 0.9314343278619305
Energy: 0.8649264109712929
Energy: 0.9314343278619305
Energy: 0.8649264109712929
Energy: 0.9314343278619305
Energy: 0.9158836770177026
Energy: 0.8766808977960496
Energy: 0.9158836770177026
Energy: 0.8766808977960496
Energy: 0.9158836770177026
Energy: 0.8766808977960496
Energy: 0.8998515940414697
Energy: 0.9415954007821694
Energy: 0.8998515940414697
Energy: 0.9415954007816282
Energy: 0.8998515940414697
Energy: 0.9415954007816282
Energy: 0.8682100808628582
Energy: 1.0219966141854377
Energy: 0.8682100808628582
Energy: 1.0219966141854377
Energy: 0.8682100808628582
Energy: 1.0219966141848962
Energy: 0.9513939965037598
Energy: 0.8709294965973341
Energy: 0.9513939965037598
Energy: 0.8709294965973341
Energy: 0.9513939965037598
Energy: 0.8709294965978753
Energy: 0.9440157039230149
Energy: 0.8715633368843168
Energy: 0.9440157039230149
Energy: 0.8715633368837754
Energy: 0.9440157039230149
Energy: 0.8715633368837754
Energy: 0.8700084943049236
Energy: 0.945451384475792
Energy: 0.8700084943049236
Energy: 0.945451384475792
Energy: 0.8700084943049236
Energy: 0.945451384475792
Energy: 0.961716353024951
Energy: 0.9036087936560031
Energy: 0.9617163530254922
Energy: 0.9036087936560031
Energy: 0.9617163530254922
Energy: 0.9036087936560031
Energy: 0.9205167515293219
Energy: 0.8749575671717753
Energy: 0.9205167515293219
Energy: 0.8749575671717753
Energy: 0.9205167515293219
Energy: 0.8749575671717753
Energy: 0.9056629083717901
Energy: 0.9288837857007951
Energy: 0.9056629083723313
Energy: 0.9288837857007951
Energy: 0.9056629083723313
Energy: 0.9288837857007951
Energy: 0.9057807513011462
Energy: 0.9320551856187407
Energy: 0.9057807513011462
Energy: 0.9320551856187407
Energy: 0.9057807513011462
Energy: 0.9320551856187407
Energy: 0.9429815841853137
Energy: 0.8865843258187136
Energy: 0.9429815841853137
Energy: 0.8865843258187136
Energy: 0.9429815841853137
Energy: 0.8865843258181724
Energy: 0.8664959667296641
Energy: 0.9396494409496849
Energy: 0.8664959667296641
Energy: 0.9396494409496849
Energy: 0.8664959667296641
Energy: 0.9396494409496849
Energy: 0.8658972302038375
Energy: 0.9119910893795964
Energy: 0.8658972302038375
Energy: 0.9119910893795964
Energy: 0.8658972302038375
Energy: 0.9119910893795964
Energy: 0.9444704826716673
Energy: 0.8709920495055302
Energy: 0.9444704826716673
Energy: 0.8709920495055302
Energy: 0.9444704826716673
Energy: 0.8709920495055302
Energy: 0.9531186234167409
Energy: 0.8980513176900685
Energy: 0.9531186234167409
Energy: 0.8980513176900685
Energy: 0.9531186234167409
Energy: 0.8980513176900685

minimum gb energy = 0.8649264109712929 eV
minimum distance =  2.33481989036022 Angstroms
sigma value = 33


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

Energy: 0.015605018800725139
Energy: 0.6915944798278297
Energy: 0.015605018800725139
Energy: 0.6915944798278297
Energy: 0.015605018800725139
Energy: 0.6915944798278297
Energy: 0.016231709995420267
Energy: 0.27160667304768565
Energy: 0.016231709995420267
Energy: 0.27160667304768565
Energy: 0.016231709995420267
Energy: 0.27160667304726094
Energy: 0.6919599945719809
Energy: 0.2720162188070647
Energy: 0.6919075243495723
Energy: 0.27201621884222005
Energy: 0.6919678210096403
Energy: 0.27201621892662287
Energy: 0.016231709995420267
Energy: 0.27160667304768565
Energy: 0.016231709995420267
Energy: 0.27160667304768565
Energy: 0.016231709995420267
Energy: 0.27160667304726094

minimum gb energy = 0.015605018800725139 eV
minimum distance =  2.52684410580713 Angstroms
sigma value = 1