Model name: model_name=MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657325506211
cohesive_energy=4.29033744093271
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013216091203597223
Energy: 0.013782521960049497
Energy: 0.5576798059638388
Energy: 0.013782521960049497
Energy: 0.013216091203597223
Energy: 0.013782521960049497
Energy: 0.013782521960049497
Energy: 3.2026305054303896
Energy: 0.013782521960049497
Energy: 3.2026305054303896
Energy: 0.013782521960049497
Energy: 3.2026305054308617
Energy: 0.5576798059638388
Energy: 0.013782521960049497
Energy: 0.013216091203597223
Energy: 0.013782521960049497
Energy: 0.5576798059638388
Energy: 0.013782521960049497
Energy: 0.013782521960049497
Energy: 3.2026305054303896
Energy: 0.013782521960049497
Energy: 2.9256222106885366
Energy: 0.013782521960049497
Energy: 3.2026305054308617
Energy: 0.013216091203597223
Energy: 0.013782521960049497
Energy: 0.5576798059638388
Energy: 0.013782521960049497
Energy: 0.013216091203597223
Energy: 0.013782521960049497
Energy: 0.013782521960049497
Energy: 3.2026305054303896
Energy: 0.013782521960049497
Energy: 3.2026305054303896
Energy: 0.013782521960049497
Energy: 2.553925941108079

minimum gb energy = 0.013216091203597223 eV
minimum distance =  2.40177646969726 Angstroms
sigma value = 1


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

Energy: 1.299089166947974
Energy: 1.274163076395959
Energy: 1.2719760223781134
Energy: 1.274163076397162
Energy: 1.299089166947974
Energy: 1.274163076397162
Energy: 1.2696165881124999
Energy: 1.252958708252258
Energy: 1.2048141383315862
Energy: 1.2529587082510552
Energy: 1.2696165881124999
Energy: 1.2529587082510552
Energy: 1.2140261685186586
Energy: 1.2527308519816283
Energy: 1.291065428287744
Energy: 1.2527308519816283
Energy: 1.2140261685186586
Energy: 1.2527308519816283
Energy: 1.361380492809331
Energy: 1.2332689704841588
Energy: 1.2121142703082664
Energy: 1.2332689704841588
Energy: 1.361380492809331
Energy: 1.2332689704841588
Energy: 1.3230228356980942
Energy: 1.274821445494885
Energy: 1.2935486210784661
Energy: 1.274821445496088
Energy: 1.3230228356980942
Energy: 1.274821445496088
Energy: 1.290917299673967
Energy: 1.252200561531928
Energy: 1.2211717647653877
Energy: 1.252200561531928
Energy: 1.290917299672764
Energy: 1.252200561531928
Energy: 1.2919897147663921
Energy: 1.252399901821
Energy: 1.2191407362715245
Energy: 1.252399901821
Energy: 1.2919897147663921
Energy: 1.252399901821
Energy: 1.348879254924223
Energy: 1.274741349454041
Energy: 1.2019103371656732
Energy: 1.274741349454041
Energy: 1.348879254924223
Energy: 1.274741349454041
Energy: 1.3578787387663833
Energy: 1.2335194395636442
Energy: 1.21068079165405
Energy: 1.2335194395624411
Energy: 1.3578787387663833
Energy: 1.2335194395624411
Energy: 1.293672375809361
Energy: 1.2526588306358886
Energy: 1.222103638680957
Energy: 1.2526588306358886
Energy: 1.293672375809361
Energy: 1.2526588306358886
Energy: 1.2187231175159212
Energy: 1.242990442097958
Energy: 1.2769840545914686
Energy: 1.242990442097958
Energy: 1.2187231175147184
Energy: 1.242990442097958
Energy: 1.2038336987524991
Energy: 1.2744728594420938
Energy: 1.2043984442508444
Energy: 1.2744728594420938
Energy: 1.2038336987524991
Energy: 1.2744728594420938
Energy: 1.2770661880128975
Energy: 1.2429904420967548
Energy: 1.255613790161251
Energy: 1.2429904420967548
Energy: 1.2770661880128975
Energy: 1.2429904420967548
Energy: 1.2221033933185013
Energy: 1.2526622982304996
Energy: 1.2936485061402387
Energy: 1.2526622982304996
Energy: 1.2221033933185013
Energy: 1.2526622982317024
Energy: 1.2106040113635879
Energy: 1.2332661147373025
Energy: 1.3579030328873334
Energy: 1.2332661147373025
Energy: 1.2106040113635879
Energy: 1.2332661147373025
Energy: 1.2019034338714583
Energy: 1.2746043249390269
Energy: 1.3483150367653784
Energy: 1.2746043249390269
Energy: 1.2019034338714583
Energy: 1.2746043249390269
Energy: 1.2191589945016323
Energy: 1.252602184914306
Energy: 1.2918784556752267
Energy: 1.252602184914306
Energy: 1.2191589945016323
Energy: 1.252602184914306
Energy: 1.221153812537296
Energy: 1.2521977348314655
Energy: 1.2908783648474176
Energy: 1.2521977348314655
Energy: 1.221153812537296
Energy: 1.2521977348314655
Energy: 1.3287045123046788
Energy: 1.2748635921824398
Energy: 1.3236419779842648
Energy: 1.2748635921824398
Energy: 1.3287045123058816
Energy: 1.2748635921824398
Energy: 1.2121268311590627
Energy: 1.2332769685795948
Energy: 1.3613771889608421
Energy: 1.2332769685795948
Energy: 1.2121268311578595
Energy: 1.2332769685795948
Energy: 1.2911369910825077
Energy: 1.2527235895983377
Energy: 1.2140374206774984
Energy: 1.2527235895983377
Energy: 1.2911369910825077
Energy: 1.2527235895983377
Energy: 1.2061977259775758
Energy: 1.2529743437283845
Energy: 1.2697125108479905
Energy: 1.2529743437283845
Energy: 1.2061977259763728
Energy: 1.2529743437283845
Energy: 1.2980208845937462
Energy: 1.274163076395959
Energy: 1.299089166947974
Energy: 1.274163076397162
Energy: 1.2980208845937462
Energy: 1.274163076397162

minimum gb energy = 1.2019034338714583 eV
minimum distance =  2.28940091250227 Angstroms
sigma value = 33


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

Energy: 1.7787251601832665
Energy: 1.3447395618255076
Energy: 1.314008599206095
Energy: 1.3447395618255076
Energy: 1.7787251601825822
Energy: 1.3447395618255076
Energy: 1.2803253391702605
Energy: 1.3123943651359635
Energy: 1.2947091083798623
Energy: 1.3123943651359635
Energy: 1.2803253391695761
Energy: 1.3123943651359635
Energy: 1.255203768565578
Energy: 1.3423444795884087
Energy: 1.4200765245261595
Energy: 1.3423444795890929
Energy: 1.255203768565578
Energy: 1.3423444795884087
Energy: 1.295228006977226
Energy: 1.3001536740062796
Energy: 1.4479357356662377
Energy: 1.3001536740062796
Energy: 1.295228006977226
Energy: 1.300153674006964
Energy: 1.295474529307479
Energy: 1.3207003484397617
Energy: 1.4323709390097021
Energy: 1.3207003484390774
Energy: 1.2954745293067949
Energy: 1.3207003484390774
Energy: 1.2877998911131674
Energy: 1.3218328760718812
Energy: 1.2707894707273197
Energy: 1.3218328760718812
Energy: 1.2877998911131674
Energy: 1.3218328760718812
Energy: 1.28819540158249
Energy: 1.3217183710798237
Energy: 1.3492910655967865
Energy: 1.3217183710798237
Energy: 1.2881954015838586
Energy: 1.3217183710798237
Energy: 1.271126001430555
Energy: 1.321006211427571
Energy: 1.2870987529497377
Energy: 1.321006211427571
Energy: 1.271126001430555
Energy: 1.321006211427571
Energy: 1.294774869722148
Energy: 1.3001167894463437
Energy: 1.288102199274716
Energy: 1.300116789447028
Energy: 1.294774869722148
Energy: 1.300116789447028
Energy: 1.287495543908245
Energy: 1.3423667839169364
Energy: 1.2941799512476457
Energy: 1.3423667839169364
Energy: 1.2874955439075606
Energy: 1.3423667839169364
Energy: 1.2799494499832063
Energy: 1.3147792093007467
Energy: 1.294909658487203
Energy: 1.3147792093007467
Energy: 1.279949449982522
Energy: 1.3147792093007467
Energy: 1.4165071354694765
Energy: 1.3213504634032653
Energy: 1.3144111982122817
Energy: 1.3213504634032653
Energy: 1.4165071354694765
Energy: 1.3213504634032653
Energy: 1.462326238049567
Energy: 1.3102441989979101
Energy: 1.3077229228585021
Energy: 1.3102441989979101
Energy: 1.462326238049567
Energy: 1.3102441989979101
Energy: 1.3488507417847002
Energy: 1.341901131803803
Energy: 1.293736359860604
Energy: 1.341901131803803
Energy: 1.3488507417840159
Energy: 1.341901131803803
Energy: 1.4167725300353855
Energy: 1.3206578564892189
Energy: 1.391317940005631
Energy: 1.3206578564892189
Energy: 1.4167725300347012
Energy: 1.3206578564892189
Energy: 1.4168349400291937
Energy: 1.3206250726725335
Energy: 1.314501254664239
Energy: 1.3206250726725335
Energy: 1.4168349400291937
Energy: 1.3206250726725335
Energy: 1.432181546088159
Energy: 1.3216619920623773
Energy: 1.2941896970295002
Energy: 1.3216619920623773
Energy: 1.4321815460874747
Energy: 1.3216619920623773
Energy: 1.467176283817554
Energy: 1.3117134046772905
Energy: 1.3911235164935345
Energy: 1.3117134046772905
Energy: 1.467176283817554
Energy: 1.3117134046772905
Energy: 1.2705535454035137
Energy: 1.3211122390347072
Energy: 1.2871532970937465
Energy: 1.3211122390340229
Energy: 1.2705535454035137
Energy: 1.3211122390340229
Energy: 1.2943712498909425
Energy: 1.3000236171673742
Energy: 1.2887443779463637
Energy: 1.3000236171680586
Energy: 1.2943712498909425
Energy: 1.3000236171680586
Energy: 1.4167667888244933
Energy: 1.3424076117612136
Energy: 1.285123385723847
Energy: 1.3424076117612136
Energy: 1.4167667888244933
Energy: 1.3424076117605295
Energy: 1.2792059828790865
Energy: 1.3154846170512864
Energy: 1.2946389093930317
Energy: 1.3154846170512864
Energy: 1.2792059828797706
Energy: 1.3154846170512864
Energy: 1.2939516235505202
Energy: 1.3214904904949216
Energy: 1.4338493108297392
Energy: 1.3214904904949216
Energy: 1.2939516235498358
Energy: 1.3214904904949216
Energy: 1.4561470504828669
Energy: 1.3118773268296575
Energy: 1.2942759658859546
Energy: 1.3118773268289732
Energy: 1.456147050483551
Energy: 1.3118773268289732
Energy: 1.3155208255276118
Energy: 1.323224110350341
Energy: 1.4177959622185883
Energy: 1.323224110349657
Energy: 1.3155208255276118
Energy: 1.323224110349657
Energy: 1.2945863578705596
Energy: 1.34235448594346
Energy: 1.2997557100543369
Energy: 1.34235448594346
Energy: 1.2945863578712435
Energy: 1.34235448594346
Energy: 1.2945761663676307
Energy: 1.342343763607349
Energy: 1.2997557100543369
Energy: 1.3423437636066644
Energy: 1.2945761663676307
Energy: 1.3423437636066644
Energy: 1.3155323372729528
Energy: 1.3232061979237668
Energy: 1.4182367916287455
Energy: 1.3232061979237668
Energy: 1.3155323372743213
Energy: 1.3232061979237668
Energy: 1.456156875719142
Energy: 1.3118789494283631
Energy: 1.2941707230891497
Energy: 1.3118789494276786
Energy: 1.456156875718489
Energy: 1.3118789494276786
Energy: 1.2941532674082787
Energy: 1.321487401901414
Energy: 1.3949768182828177
Energy: 1.3214874019007299
Energy: 1.2941532674082787
Energy: 1.3214874019007299
Energy: 1.2808038638470647
Energy: 1.3154846170526548
Energy: 1.2946270559950335
Energy: 1.3154846170526548
Energy: 1.280803863847749
Energy: 1.3154846170526548
Energy: 1.416769112847793
Energy: 1.3424147034347267
Energy: 1.2850913689505103
Energy: 1.3424147034347267
Energy: 1.416769112847793
Energy: 1.3424147034347267
Energy: 1.2943698142573674
Energy: 1.3002393596274013
Energy: 1.2890773031420235
Energy: 1.3002393596280857
Energy: 1.294369814256683
Energy: 1.3002393596274013
Energy: 1.2705642149120557
Energy: 1.321110416140619
Energy: 1.2871597813283275
Energy: 1.321110416139966
Energy: 1.2705642149120557
Energy: 1.321110416140619
Energy: 1.4671299896062466
Energy: 1.3117082243585236
Energy: 1.4671589443828827
Energy: 1.3117082243585236
Energy: 1.4671299896062466
Energy: 1.3117082243585236
Energy: 1.4314558136986113
Energy: 1.3214807963020132
Energy: 1.2940935890902174
Energy: 1.3214807963020132
Energy: 1.4314558136992956
Energy: 1.3214807963026973
Energy: 1.4165207299365457
Energy: 1.3205418125023765
Energy: 1.3144147925721865
Energy: 1.3205418125030606
Energy: 1.4165207299372298
Energy: 1.3205418125030606
Energy: 1.4169073356379271
Energy: 1.3206871528049262
Energy: 1.3915477494960997
Energy: 1.3206871528049262
Energy: 1.4169073356379271
Energy: 1.3206871528056106
Energy: 1.348813280497926
Energy: 1.3418684198654534
Energy: 1.2935303394993003
Energy: 1.3418684198654534
Energy: 1.348813280497242
Energy: 1.3418684198654534
Energy: 1.462336577635142
Energy: 1.3102485550615919
Energy: 1.3080130026295507
Energy: 1.3102485550615919
Energy: 1.462336577635142
Energy: 1.3102485550615919
Energy: 1.4164936084200017
Energy: 1.3211348918834642
Energy: 1.3144172221713137
Energy: 1.3211348918834642
Energy: 1.4164936084200017
Energy: 1.3211348918834642

minimum gb energy = 1.255203768565578 eV
minimum distance =  2.25972322174572 Angstroms
sigma value = 51


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

Energy: 1.5268485251589408
Energy: 1.3612384937537894
Energy: 1.4000946693153065
Energy: 1.3612384937537894
Energy: 1.5268485251589408
Energy: 1.3612384937537894
Energy: 1.2673131025031046
Energy: 1.3596440204089566
Energy: 1.5952115159197402
Energy: 1.3596440204089566
Energy: 1.26731310250469
Energy: 1.3596440204089566
Energy: 1.2665315552214096
Energy: 1.361323026819624
Energy: 1.5944315120784958
Energy: 1.3613230268212093
Energy: 1.2665315552214096
Energy: 1.3613230268212093
Energy: 1.2802156127189164
Energy: 1.312983348546025
Energy: 1.596441092385038
Energy: 1.312983348546025
Energy: 1.2802156127173312
Energy: 1.312983348546025
Energy: 1.266862963334074
Energy: 1.3170506322702815
Energy: 1.5943498328140664
Energy: 1.3170506322718667
Energy: 1.266862963334074
Energy: 1.3170506322718667
Energy: 1.526722249528209
Energy: 1.3129569443320621
Energy: 1.645099329380835
Energy: 1.3129569443320621
Energy: 1.526722249528209
Energy: 1.3129569443336477
Energy: 1.5272499167240374
Energy: 1.3157912859579808
Energy: 1.5942065909099579
Energy: 1.3157912859579808
Energy: 1.5272499167256228
Energy: 1.3157912859579808
Energy: 1.280775197450417
Energy: 1.3131244142749396
Energy: 1.2486268227570874
Energy: 1.3131244142749396
Energy: 1.280775197450417
Energy: 1.3131244142749396
Energy: 1.5274633998307092
Energy: 1.340081061262797
Energy: 1.2514107980494942
Energy: 1.340081061262797
Energy: 1.5274633998307092
Energy: 1.340081061262797
Energy: 1.2665985794819061
Energy: 1.362582603827981
Energy: 1.2485429864543136
Energy: 1.362582603827981
Energy: 1.2665985794819061
Energy: 1.362582603827981
Energy: 1.598932864575892
Energy: 1.3143430815058383
Energy: 1.5947789841323985
Energy: 1.3143430815058383
Energy: 1.598932864575892
Energy: 1.3143430815058383
Energy: 1.5264746504456372
Energy: 1.362205820265446
Energy: 1.6398640363537607
Energy: 1.362205820265446
Energy: 1.5264746504456372
Energy: 1.362205820265446
Energy: 1.4089842748813677
Energy: 1.3130739426395717
Energy: 1.5948327561538522
Energy: 1.3130739426395717
Energy: 1.4089842748813677
Energy: 1.3130739426395717
Energy: 1.2662260494066653
Energy: 1.362093286536923
Energy: 1.594830192213303
Energy: 1.3620932865385085
Energy: 1.2662260494066653
Energy: 1.3620932865385085
Energy: 1.2662919257602272
Energy: 1.3667362294405065
Energy: 1.5959728898126935
Energy: 1.3667362294405065
Energy: 1.2662919257602272
Energy: 1.3667362294405065
Energy: 1.267214774545811
Energy: 1.3167651120808868
Energy: 1.5945512089358505
Energy: 1.3167651120808868
Energy: 1.267214774545811
Energy: 1.3167651120808868
Energy: 1.527080092775534
Energy: 1.3670439058761215
Energy: 1.638196656692066
Energy: 1.3670439058761215
Energy: 1.527080092775534
Energy: 1.3670439058761215
Energy: 1.5266173753647154
Energy: 1.3187480603630994
Energy: 1.5943177214108322
Energy: 1.3187480603630994
Energy: 1.5266173753647154
Energy: 1.318748060361514

minimum gb energy = 1.2485429864543136 eV
minimum distance =  2.2534358577568 Angstroms
sigma value = 19


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

Energy: 1.6530450390607143
Energy: 1.4215722736289362
Energy: 1.4218813081928765
Energy: 1.4215722736289362
Energy: 1.6530450390616547
Energy: 1.4215722736289362
Energy: 1.3171143569347286
Energy: 1.4049392058453203
Energy: 1.3404983239612127
Energy: 1.4049392058453203
Energy: 1.3171143569347286
Energy: 1.4049392058453203
Energy: 1.2839806809670806
Energy: 1.415491192011923
Energy: 1.442658774327087
Energy: 1.415491192011923
Energy: 1.2839806809670806
Energy: 1.415491192011923
Energy: 1.3163295106122388
Energy: 1.389206015176055
Energy: 1.3402228957120064
Energy: 1.3892060151769954
Energy: 1.3163295106122388
Energy: 1.3892060151769954
Energy: 1.316527627947361
Energy: 1.4217976039636886
Energy: 1.3402021279435092
Energy: 1.4217976039646287
Energy: 1.316527627947361
Energy: 1.4217976039646287
Energy: 1.340106306198294
Energy: 1.421784075893629
Energy: 1.3168218162740806
Energy: 1.421784075893629
Energy: 1.340106306198294
Energy: 1.421784075893629
Energy: 1.3404622463077662
Energy: 1.3892069097861437
Energy: 1.316366872208272
Energy: 1.3892069097861437
Energy: 1.3404622463077662
Energy: 1.3892069097861437
Energy: 1.4427261166281997
Energy: 1.4154932633549058
Energy: 1.2839687811348803
Energy: 1.4154932633549058
Energy: 1.4427261166281997
Energy: 1.4154932633549058
Energy: 1.3403972169171552
Energy: 1.4048288845881933
Energy: 1.28403531107203
Energy: 1.4048288845872527
Energy: 1.3403972169171552
Energy: 1.4048288845881933
Energy: 1.4218813081928765
Energy: 1.4215722736289362
Energy: 1.6530450390616547
Energy: 1.4215722736289362
Energy: 1.4218813081928765
Energy: 1.4215722736289362
Energy: 1.3404983239602721
Energy: 1.4049392058453203
Energy: 1.3013575860924136
Energy: 1.4049392058453203
Energy: 1.3404983239602721
Energy: 1.4049392058453203
Energy: 1.442658774327087
Energy: 1.415491192011923
Energy: 1.2839806809670806
Energy: 1.415491192011923
Energy: 1.442658774327087
Energy: 1.415491192011923
Energy: 1.3402228957120064
Energy: 1.389206015176055
Energy: 1.3163295106122388
Energy: 1.389206015176055
Energy: 1.3402228957120064
Energy: 1.389206015176055
Energy: 1.3402021279435092
Energy: 1.4217976039636886
Energy: 1.316527627947361
Energy: 1.4217976039646287
Energy: 1.3402021279435092
Energy: 1.4217976039646287
Energy: 1.3168218162740806
Energy: 1.421784075893629
Energy: 1.340106306198294
Energy: 1.421784075893629
Energy: 1.3168218162740806
Energy: 1.421784075893629
Energy: 1.34929003517422
Energy: 1.3892069097861437
Energy: 1.3404622463087068
Energy: 1.3892069097861437
Energy: 1.34929003517422
Energy: 1.3892069097861437
Energy: 1.2839687811348803
Energy: 1.4154932633549058
Energy: 1.4427261166281997
Energy: 1.4154932633549058
Energy: 1.2839687811348803
Energy: 1.4154932633549058
Energy: 1.2840353110729703
Energy: 1.4048288845881933
Energy: 1.3403972169162146
Energy: 1.4048288845881933
Energy: 1.2840353110729703
Energy: 1.4048288845881933
Energy: 1.6530450390607143
Energy: 1.4215722736289362
Energy: 1.4079376565380084
Energy: 1.4215722736289362
Energy: 1.6530450390607143
Energy: 1.4215722736289362
Energy: 1.3013575860924136
Energy: 1.4049392058453203
Energy: 1.3404983239602721
Energy: 1.4049392058453203
Energy: 1.3013575860924136
Energy: 1.4049392058453203
Energy: 1.2839806809670806
Energy: 1.415491192011923
Energy: 1.442658774327087
Energy: 1.415491192011923
Energy: 1.2839806809670806
Energy: 1.415491192011923
Energy: 1.3163295106122388
Energy: 1.3892060151769954
Energy: 1.340222895712947
Energy: 1.389206015176055
Energy: 1.3163295106122388
Energy: 1.389206015176055
Energy: 1.316527627947361
Energy: 1.4217976039646287
Energy: 1.3402021279435092
Energy: 1.4217976039636886
Energy: 1.316527627947361
Energy: 1.4217976039636886
Energy: 1.340106306198294
Energy: 1.421784075893629
Energy: 1.3168218162740806
Energy: 1.421784075893629
Energy: 1.340106306198294
Energy: 1.421784075893629
Energy: 1.3404622463087068
Energy: 1.3892069097861437
Energy: 1.379273819289465
Energy: 1.3892069097861437
Energy: 1.3404622463077662
Energy: 1.3892069097861437
Energy: 1.4427261166281997
Energy: 1.4154932633549058
Energy: 1.2839687811348803
Energy: 1.4154932633539654
Energy: 1.4427261166281997
Energy: 1.4154932633539654
Energy: 1.3403972169171552
Energy: 1.4048288845881933
Energy: 1.28403531107203
Energy: 1.4048288845881933
Energy: 1.3403972169171552
Energy: 1.4048288845881933
Energy: 1.3887505398111417
Energy: 1.4215722736289362
Energy: 1.6530450390607143
Energy: 1.4215722736289362
Energy: 1.3887505398111417
Energy: 1.4215722736289362
Energy: 1.3404983239612127
Energy: 1.4049392058453203
Energy: 1.3013575860924136
Energy: 1.4049392058453203
Energy: 1.3404983239602721
Energy: 1.4049392058453203
Energy: 1.4426587743280275
Energy: 1.415491192011923
Energy: 1.2839806809670806
Energy: 1.415491192011923
Energy: 1.442658774327087
Energy: 1.415491192011923

minimum gb energy = 1.2839687811348803 eV
minimum distance =  2.24758623849158 Angstroms
sigma value = 27


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

Energy: 1.1923072291503138
Energy: 1.3333875826038988
Energy: 1.4838755459445478
Energy: 1.3333875826038988
Energy: 1.1923072291500783
Energy: 1.3333875826038988
Energy: 1.1828085635752448
Energy: 1.3078674275508373
Energy: 1.2121107570972443
Energy: 1.3078674275508373
Energy: 1.1828085635752448
Energy: 1.3078674275510727
Energy: 1.2129671019747779
Energy: 1.4956362671142693
Energy: 1.2137638483077222
Energy: 1.4956362671147403
Energy: 1.2129671019745427
Energy: 1.495636267114505
Energy: 1.188723395945985
Energy: 1.3350641594731414
Energy: 1.2124554249392412
Energy: 1.3350641594731414
Energy: 1.1887233959461945
Energy: 1.3350641594736128
Energy: 1.2402050183357871
Energy: 1.334014819628207
Energy: 1.2135224666600741
Energy: 1.3340148196279715
Energy: 1.2402050183357871
Energy: 1.334014819628207
Energy: 1.2122721593210244
Energy: 1.4976135073428594
Energy: 1.2124439168741905
Energy: 1.4976135073426238
Energy: 1.2122721593203438
Energy: 1.4976135073426238
Energy: 1.2130839215516551
Energy: 1.310538703452601
Energy: 1.2129876887956397
Energy: 1.3105387034528366
Energy: 1.2130839215516551
Energy: 1.310538703452366
Energy: 1.1886983751358244
Energy: 1.3341888160226418
Energy: 1.2126288009050854
Energy: 1.3341888160224065
Energy: 1.1886983751362956
Energy: 1.3341888160224065
Energy: 1.2127575429868234
Energy: 1.3345341531208246
Energy: 1.2134602574234101
Energy: 1.3345341531210604
Energy: 1.2127575429866142
Energy: 1.3345341531208246
Energy: 1.2125866708691198
Energy: 1.4960079580985766
Energy: 1.2125711880393046
Energy: 1.496007958098341
Energy: 1.2125866708691198
Energy: 1.496007958098341
Energy: 1.2134637877866339
Energy: 1.3345046465691117
Energy: 1.2128571931132472
Energy: 1.3345046465693209
Energy: 1.2134637877868695
Energy: 1.3345046465695565
Energy: 1.2127370889806897
Energy: 1.3341851259070374
Energy: 1.1887391683823358
Energy: 1.3341851259068016
Energy: 1.2127370889804803
Energy: 1.3341851259068016

minimum gb energy = 1.1828085635752448 eV
minimum distance =  2.26538981771743 Angstroms
sigma value = 9


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

Energy: 1.6614294764521504
Energy: 1.5073141592364714
Energy: 1.3777792384003014
Energy: 1.5073141592371184
Energy: 1.6614294764521504
Energy: 1.5073141592371184
Energy: 1.3643706474483184
Energy: 1.450422074126658
Energy: 1.3250807664758835
Energy: 1.450422074126658
Energy: 1.3643706474470239
Energy: 1.450422074126658
Energy: 1.326189251479187
Energy: 1.4896677429781535
Energy: 1.3252166837845951
Energy: 1.4896677429781535
Energy: 1.326189251479187
Energy: 1.4896677429781535
Energy: 1.2863747456602597
Energy: 1.462084534517723
Energy: 1.2518208924286078
Energy: 1.46208453451837
Energy: 1.2863747456609067
Energy: 1.462084534517723
Energy: 1.2850355613416846
Energy: 1.460850387901733
Energy: 1.2524618679657924
Energy: 1.460850387901733
Energy: 1.2850355613416846
Energy: 1.460850387901733
Energy: 1.2626686872279382
Energy: 1.4079270195165514
Energy: 1.3255783951457636
Energy: 1.4079270195165514
Energy: 1.2626686872279382
Energy: 1.4079270195165514
Energy: 1.416093021764313
Energy: 1.4750341642036298
Energy: 1.3231613148936217
Energy: 1.4750341642036298
Energy: 1.416093021764313
Energy: 1.4750341642036298
Energy: 1.4741140252512077
Energy: 1.4619881238648897
Energy: 1.3425153555192741
Energy: 1.461988123865537
Energy: 1.4741140252518552
Energy: 1.461988123865537
Energy: 1.3233424017139028
Energy: 1.4178499815828272
Energy: 1.32513379866097
Energy: 1.4178499815834744
Energy: 1.3233424017139028
Energy: 1.4178499815841217
Energy: 1.4695606635379839
Energy: 1.490649000209065
Energy: 1.2842860059557963
Energy: 1.490649000209065
Energy: 1.4695606635379839
Energy: 1.490649000209065
Energy: 1.327240537753861
Energy: 1.4549091699394794
Energy: 1.325122123300099
Energy: 1.4549091699394794
Energy: 1.3272405377545082
Energy: 1.4549091699394794
Energy: 1.3397253928101418
Energy: 1.4620114653468252
Energy: 1.33474311701903
Energy: 1.4620114653474725
Energy: 1.3397253928094943
Energy: 1.4620114653474725
Energy: 1.2615982914470234
Energy: 1.4095045237653703
Energy: 1.2571300262278473
Energy: 1.4095045237660175
Energy: 1.2615982914476707
Energy: 1.4095045237660175
Energy: 1.4155101037633924
Energy: 1.4911285423882168
Energy: 1.255906621008824
Energy: 1.4911285423882168
Energy: 1.4155101037633924
Energy: 1.4911285423882168
Energy: 1.3421043954869012
Energy: 1.464493237051328
Energy: 1.3262739532565273
Energy: 1.464493237051328
Energy: 1.3421043954869012
Energy: 1.464493237051328
Energy: 1.3525632777588987
Energy: 1.447215877103871
Energy: 1.3344340560017063
Energy: 1.447215877103871
Energy: 1.352563277759546
Energy: 1.447215877103871
Energy: 1.3335478285998563
Energy: 1.493196433138623
Energy: 1.2852853960690833
Energy: 1.4931964331392702
Energy: 1.333547828598562
Energy: 1.493196433138623
Energy: 1.2531956774179174
Energy: 1.4077692352412219
Energy: 1.3376673785166548
Energy: 1.4077692352405746
Energy: 1.2531956774185646
Energy: 1.4077692352405746
Energy: 1.3254624896208493
Energy: 1.4947175313724348
Energy: 1.2615237172577307
Energy: 1.4947175313724348
Energy: 1.3254624896208493
Energy: 1.4947175313724348
Energy: 1.2616602290470407
Energy: 1.5445404649969514
Energy: 1.2613777520026959
Energy: 1.5440086110150575
Energy: 1.261660229047688
Energy: 1.544540464996304
Energy: 1.2614480192734363
Energy: 1.4947506758318392
Energy: 1.3250067921788722
Energy: 1.4947506758318392
Energy: 1.2614480192734363
Energy: 1.494750675831192
Energy: 1.3389613286437763
Energy: 1.4077874761114455
Energy: 1.2527352346357812
Energy: 1.4077874761107982
Energy: 1.3389613286437763
Energy: 1.4077874761114455
Energy: 1.2849453194480482
Energy: 1.4930137315339858
Energy: 1.3333855078526164
Energy: 1.4930137315339858
Energy: 1.2849453194480482
Energy: 1.4930137315339858
Energy: 1.334274064399903
Energy: 1.4472876770644139
Energy: 1.3525355853262446
Energy: 1.4472876770644139
Energy: 1.334274064399903
Energy: 1.4472876770644139
Energy: 1.3262458367011578
Energy: 1.4640978131295568
Energy: 1.3420809132114573
Energy: 1.4640978131295568
Energy: 1.3262458367011578
Energy: 1.4640978131295568
Energy: 1.2557904438470453
Energy: 1.4911138150331724
Energy: 1.4154825905020154
Energy: 1.4911138150331724
Energy: 1.2557904438470453
Energy: 1.4911138150338195
Energy: 1.257293254857174
Energy: 1.4095297234430826
Energy: 1.261625183712481
Energy: 1.40952972344373
Energy: 1.2572932548565265
Energy: 1.40952972344373
Energy: 1.3347494793558667
Energy: 1.4619677624160117
Energy: 1.339861934045441
Energy: 1.4619677624160117
Energy: 1.3347494793558667
Energy: 1.4619677624153644
Energy: 1.3251578221495988
Energy: 1.4549791615894228
Energy: 1.3271227978268214
Energy: 1.4549791615894228
Energy: 1.3251578221495988
Energy: 1.4549791615894228
Energy: 1.2842759191315647
Energy: 1.490650820895844
Energy: 1.469579789588123
Energy: 1.490650820895844
Energy: 1.2842759191315647
Energy: 1.490650820895844
Energy: 1.3251298995212017
Energy: 1.4178499815841217
Energy: 1.3236025401644875
Energy: 1.4178499815841217
Energy: 1.325129899521849
Energy: 1.4178499815834744
Energy: 1.3425674896190884
Energy: 1.461983338443458
Energy: 1.47410546648393
Energy: 1.4619833384428111
Energy: 1.3425674896197357
Energy: 1.4619833384428111
Energy: 1.323355358193855
Energy: 1.4750341445072068
Energy: 1.4907139375670118
Energy: 1.4750341445072068
Energy: 1.323355358193855
Energy: 1.4750341445072068
Energy: 1.3253298603983716
Energy: 1.407979166269446
Energy: 1.262669611891931
Energy: 1.407979166269446
Energy: 1.3253298603983716
Energy: 1.407979166269446
Energy: 1.2531491730864093
Energy: 1.4608151407299115
Energy: 1.2850319399453336
Energy: 1.4608151407299115
Energy: 1.253149173085762
Energy: 1.4608151407299115
Energy: 1.251881761800265
Energy: 1.4621556090624317
Energy: 1.2863533079666725
Energy: 1.4621556090624317
Energy: 1.2518817618009122
Energy: 1.4621556090624317
Energy: 1.3254163833205301
Energy: 1.4896300519350243
Energy: 1.326188403911769
Energy: 1.4896300519356716
Energy: 1.3254163833205301
Energy: 1.4896300519356716
Energy: 1.3251429413893892
Energy: 1.4504220741260108
Energy: 1.3646581648473106
Energy: 1.4504220741260108
Energy: 1.3251429413893892
Energy: 1.4504220741260108
Energy: 1.3777792384003014
Energy: 1.5073141592364714
Energy: 1.6614294764521504
Energy: 1.5073141592364714
Energy: 1.3777792384003014
Energy: 1.5073141592364714
Energy: 1.3250807664758835
Energy: 1.4712445519568624
Energy: 1.3643706474457293
Energy: 1.4504220741260108
Energy: 1.3250807664758835
Energy: 1.4712445519568624
Energy: 1.3252166837845951
Energy: 1.4896677429781535
Energy: 1.3261892514785396
Energy: 1.4896677429781535
Energy: 1.3252166837845951
Energy: 1.4896677429781535
Energy: 1.251820892429255
Energy: 1.46208453451837
Energy: 1.2863747456609067
Energy: 1.46208453451837
Energy: 1.251820892429255
Energy: 1.46208453451837
Energy: 1.2524618679651451
Energy: 1.460850387901733
Energy: 1.2850355613416846
Energy: 1.460850387901733
Energy: 1.2524618679651451
Energy: 1.460850387901086

minimum gb energy = 1.2518208924286078 eV
minimum distance =  2.24735571574072 Angstroms
sigma value = 57


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

Energy: 1.3843510672099748
Energy: 1.4172722694741826
Energy: 1.2828349756025998
Energy: 1.4172722694741826
Energy: 1.3843510672099748
Energy: 1.4172722694741826
Energy: 1.133359257552872
Energy: 1.4169435704830546
Energy: 1.1622387671911385
Energy: 1.4169435704845281
Energy: 1.133359257552872
Energy: 1.4169435704845281
Energy: 1.127083502352606
Energy: 1.376038510054121
Energy: 1.1627794794435469
Energy: 1.376038510054121
Energy: 1.127083502352606
Energy: 1.376038510054121
Energy: 1.1620161546098058
Energy: 1.3938711552323269
Energy: 1.2318550852095334
Energy: 1.3938711552323269
Energy: 1.1620161546098058
Energy: 1.3938711552323269
Energy: 1.1625221826999201
Energy: 1.417682644718266
Energy: 1.1616453321288676
Energy: 1.417682644718266
Energy: 1.1625221826999201
Energy: 1.417682644718266
Energy: 1.1622308442867255
Energy: 1.375953203917005
Energy: 1.125309502349832
Energy: 1.375953203917005
Energy: 1.1622308442867255
Energy: 1.375953203917005
Energy: 1.162221586232429
Energy: 1.3759771236757425
Energy: 1.1254153512392042
Energy: 1.3759771236757425
Energy: 1.162221586232429
Energy: 1.3759771236757425
Energy: 1.1625221607302385
Energy: 1.4176732064737794
Energy: 1.2349038992581838
Energy: 1.4176732064737794
Energy: 1.1625221607302385
Energy: 1.4176732064737794
Energy: 1.1620043152801316
Energy: 1.3938841994372964
Energy: 1.1615601593443
Energy: 1.3938841994372964
Energy: 1.1620043152801316
Energy: 1.3938841994372964
Energy: 1.127086757640842
Energy: 1.3760590366892076
Energy: 1.1624252500743828
Energy: 1.3760590366892076
Energy: 1.127086757640842
Energy: 1.3760590366892076
Energy: 1.133428391143107
Energy: 1.4169435704845281
Energy: 1.2344135043182376
Energy: 1.4169435704845281
Energy: 1.133428391143107
Energy: 1.4169435704845281
Energy: 1.3843510672099748
Energy: 1.4172722694741826
Energy: 1.2145627109770647
Energy: 1.4172722694741826
Energy: 1.3843510672099748
Energy: 1.4172722694741826
Energy: 1.133359257552872
Energy: 1.4169435704845281
Energy: 1.162238767192612
Energy: 1.4169435704845281
Energy: 1.133359257552872
Energy: 1.4169435704845281
Energy: 1.127083502352606
Energy: 1.376038510054121
Energy: 1.1627794794435469
Energy: 1.376038510054121
Energy: 1.127083502352606
Energy: 1.376038510054121
Energy: 1.1620161546098058
Energy: 1.3938711552323269
Energy: 1.1644434121443952
Energy: 1.3938711552323269
Energy: 1.1620161546098058
Energy: 1.3938711552323269
Energy: 1.1625221826999201
Energy: 1.417682644718266
Energy: 1.1616453321288676
Energy: 1.417682644718266
Energy: 1.1625221826999201
Energy: 1.417682644718266
Energy: 1.1622308442867255
Energy: 1.375953203917005
Energy: 1.125309502349832
Energy: 1.375953203917005
Energy: 1.1622308442867255
Energy: 1.375953203917005
Energy: 1.162221586232429
Energy: 1.3759771236757425
Energy: 1.1254153512392042
Energy: 1.3759771236757425
Energy: 1.162221586232429
Energy: 1.3759771236757425
Energy: 1.1625221607302385
Energy: 1.4176732064737794
Energy: 1.164391271191968
Energy: 1.4176732064737794
Energy: 1.1625221607302385
Energy: 1.4176732064737794

minimum gb energy = 1.125309502349832 eV
minimum distance =  2.23055576464671 Angstroms
sigma value = 11


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

Energy: 1.207725493939082
Energy: 1.3606255108073197
Energy: 1.220102930154081
Energy: 1.3606255108073197
Energy: 1.207725493939082
Energy: 1.3606255108062404
Energy: 1.0468636983650308
Energy: 1.3052439242381166
Energy: 1.0446082641978032
Energy: 1.3052439242381166
Energy: 1.0468636983650308
Energy: 1.3052439242381166
Energy: 1.2060766275457329
Energy: 1.2825679569656767
Energy: 1.129148557212108
Energy: 1.2825679569656767
Energy: 1.2060766275446537
Energy: 1.282567956966756
Energy: 1.054802218241092
Energy: 1.2785415999398573
Energy: 1.0448482213391597
Energy: 1.2785415999387781
Energy: 1.0548022182432506
Energy: 1.2785415999398573
Energy: 1.0451955160754933
Energy: 1.360592761939549
Energy: 1.1078151770093632
Energy: 1.360592761939549
Energy: 1.0451955160754933
Energy: 1.360592761939549
Energy: 1.0702879989571452
Energy: 1.3366503003988743
Energy: 1.044543182546071
Energy: 1.3366503003988743
Energy: 1.0702879989571452
Energy: 1.3366503003988743
Energy: 1.0694395867923772
Energy: 1.2830333245144254
Energy: 1.0449986619451344
Energy: 1.2830333245144254
Energy: 1.0694395867923772
Energy: 1.2830333245144254
Energy: 1.0725618584801624
Energy: 1.3617288025513312
Energy: 1.0563645374967698
Energy: 1.3617288025513312
Energy: 1.0725618584834002
Energy: 1.3617288025513312
Energy: 1.0728832891725673
Energy: 1.3603376952203108
Energy: 1.1309682248492166
Energy: 1.3603376952192316
Energy: 1.0728832891736462
Energy: 1.3603376952192316
Energy: 1.0704937443509093
Energy: 1.2825285662128585
Energy: 1.0445146290846248
Energy: 1.2825285662117794
Energy: 1.0704937443509093
Energy: 1.2825285662128585
Energy: 1.069301511045407
Energy: 1.3352689591569786
Energy: 1.0446715909725262
Energy: 1.3352689591569786
Energy: 1.069301511045407
Energy: 1.3352689591569786
Energy: 1.0463926790708298
Energy: 1.3618170015960482
Energy: 1.0457410437397892
Energy: 1.3618170015960482
Energy: 1.0463926790719091
Energy: 1.3618170015960482
Energy: 1.0731897744673984
Energy: 1.279924722829798
Energy: 1.1075446977533785
Energy: 1.279924722829798
Energy: 1.073189774468478
Energy: 1.279924722829798
Energy: 1.0453917359531448
Energy: 1.2829944516357026
Energy: 1.070051103529473
Energy: 1.2829944516357026
Energy: 1.0453917359531448
Energy: 1.2829944516357026
Energy: 1.046200245204148
Energy: 1.306046039181614
Energy: 1.045336099395658
Energy: 1.3060460391805346
Energy: 1.046200245205227
Energy: 1.306046039181614
Energy: 1.0567929675536747
Energy: 1.3618630176002475
Energy: 1.076102375033529
Energy: 1.3618630176002475
Energy: 1.0567929675536747
Energy: 1.3618630176002475
Energy: 1.0538758757775881
Energy: 1.3037516648371283
Energy: 1.071814277752426
Energy: 1.3037516648360492
Energy: 1.0538758757786677
Energy: 1.3037516648371283
Energy: 1.0460899240184365
Energy: 1.2830168530455122
Energy: 1.0964129072928979
Energy: 1.2830168530455122
Energy: 1.0460899240195158
Energy: 1.2830168530455122
Energy: 1.05563053473084
Energy: 1.2779309328724564
Energy: 1.0454741079325427
Energy: 1.2779309328724564
Energy: 1.05563053473084
Energy: 1.2779309328724564
Energy: 1.046586244371217
Energy: 1.361530016889594
Energy: 1.0767877998706479
Energy: 1.361530016889594
Energy: 1.0465862443701375
Energy: 1.361530016889594
Energy: 1.132305153310852
Energy: 1.33928683557488
Energy: 1.0445516648186461
Energy: 1.33928683557488
Energy: 1.132305153310852
Energy: 1.33928683557488
Energy: 1.0704171484191911
Energy: 1.2831020441115586
Energy: 1.0522112901879026
Energy: 1.2831020441115586
Energy: 1.0704171484202702
Energy: 1.2831020441115586
Energy: 1.0743191069322742
Energy: 1.3641459710945638
Energy: 1.056495715330023
Energy: 1.3641459710956432
Energy: 1.0743191069311948
Energy: 1.3641459710956432
Energy: 1.0471514123214345
Energy: 1.3607062003604233
Energy: 1.0459233145959042
Energy: 1.3607062003604233
Energy: 1.0471514123214345
Energy: 1.3607062003604233
Energy: 1.0735994167550114
Energy: 1.2834940451384107
Energy: 1.0444294733744226
Energy: 1.2834940451384107
Energy: 1.073599416756091
Energy: 1.2834940451384107
Energy: 1.0705150587403314
Energy: 1.3360238027055098
Energy: 1.0516035632741554
Energy: 1.3360238027055098
Energy: 1.0705150587403314
Energy: 1.3360238027055098

minimum gb energy = 1.0444294733744226 eV
minimum distance =  2.26021627885585 Angstroms
sigma value = 41


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

Energy: 1.4164877024831641
Energy: 1.2988373191508888
Energy: 1.1493542414337605
Energy: 1.2988373191508888
Energy: 1.416487702484015
Energy: 1.2988373191517395
Energy: 1.1907222568756277
Energy: 1.1999693262377324
Energy: 0.955551594134733
Energy: 1.1999693262385829
Energy: 1.190722256874777
Energy: 1.1999693262385829
Energy: 1.063977793971885
Energy: 1.245184415354749
Energy: 0.9908424971948038
Energy: 1.245184415354749
Energy: 1.063977793971885
Energy: 1.245184415354749
Energy: 1.1971637384775164
Energy: 1.1677890503306099
Energy: 0.9558074334993774
Energy: 1.1677890503306099
Energy: 1.1971637384766658
Energy: 1.1677890503306099
Energy: 1.0714295593561627
Energy: 1.1620651948146454
Energy: 1.0097078466319223
Energy: 1.1620651948146454
Energy: 1.0714295593561627
Energy: 1.1620651948146454
Energy: 1.2115657546592764
Energy: 1.2405899969067187
Energy: 0.9554963230454839
Energy: 1.240589996905868
Energy: 1.2115657546592764
Energy: 1.2405899969067187
Energy: 0.9563929849713637
Energy: 1.2447051517319396
Energy: 0.956350280997075
Energy: 1.2447051517319396
Energy: 0.9563929849713637
Energy: 1.2447051517319396
Energy: 1.0592560936428475
Energy: 1.2584291345355874
Energy: 0.9590275885160818
Energy: 1.2584291345355874
Energy: 1.0592560936428475
Energy: 1.2584291345355874
Energy: 0.9878879236501537
Energy: 1.1621803175887828
Energy: 1.138895056988785
Energy: 1.1621803175887828
Energy: 0.9878879236501537
Energy: 1.1621803175887828
Energy: 1.220931568069702
Energy: 1.246389286908467
Energy: 1.2068144881928726
Energy: 1.2463892869076165
Energy: 1.2209315680688513
Energy: 1.2463892869076165
Energy: 1.2195955339654991
Energy: 1.2446188770502493
Energy: 1.2611364964905565
Energy: 1.2446188770511
Energy: 1.2195955339654991
Energy: 1.2446188770511
Energy: 0.9901390806631472
Energy: 1.2715117100175224
Energy: 0.9588273937586668
Energy: 1.2579530240290908
Energy: 0.9901390806631472
Energy: 1.2715117100175224
Energy: 0.9876583988476532
Energy: 1.224360409404627
Energy: 1.1389677659367965
Energy: 1.224360409404627
Energy: 0.9876583988476532
Energy: 1.224360409404627
Energy: 0.9591133743046184
Energy: 1.2464880758486365
Energy: 0.9556856909078101
Energy: 1.246488075849487
Energy: 0.9591133743046184
Energy: 1.246488075849487
Energy: 1.208198640269233
Energy: 1.2452980389301282
Energy: 0.9559719260635179
Energy: 1.2452980389301282
Energy: 1.208198640269233
Energy: 1.2452980389301282
Energy: 0.9557104496088409
Energy: 1.2789281086123265
Energy: 0.9563095357876938
Energy: 1.2715849740660585
Energy: 0.9557104496079902
Energy: 1.2789281086123265
Energy: 1.1922266096571594
Energy: 1.2598466488946578
Energy: 1.0091123260582502
Energy: 1.2598466488946578
Energy: 1.1922266096571594
Energy: 1.2598466488946578
Energy: 0.9584026521698074
Energy: 1.246633896782816
Energy: 0.9880545544777979
Energy: 1.246633896782816
Energy: 0.9584026521698074
Energy: 1.246633896782816
Energy: 1.1906807024107868
Energy: 1.1930086657192311
Energy: 0.9557210437773553
Energy: 1.1930086657192311
Energy: 1.1906807024090853
Energy: 1.1930086657192311
Energy: 1.2059228966436208
Energy: 1.2789293344097934
Energy: 1.1082909161189332
Energy: 1.257545241942198
Energy: 1.2059228966291597
Energy: 1.2789293344097934
Energy: 1.2245918750012112
Energy: 1.1966330092765265
Energy: 0.9912667040175005
Energy: 1.1966330092765265
Energy: 1.2245918750020617
Energy: 1.1966330092765265
Energy: 0.9583138424749571
Energy: 1.246544994318514
Energy: 1.029441067128956
Energy: 1.246544994318514
Energy: 0.9583138424749571
Energy: 1.246544994319365
Energy: 1.198523821526531
Energy: 1.1648860003924273
Energy: 0.9558772687302205
Energy: 1.1648860003924273
Energy: 1.198523821526531
Energy: 1.1648860003924273
Energy: 0.955493695975437
Energy: 1.200485423614673
Energy: 0.9910114704531842
Energy: 1.2246943700127144
Energy: 0.9554936959762876
Energy: 1.2004854236155236
Energy: 1.0984056356651977
Energy: 1.2244380143398381
Energy: 0.9551527572686566
Energy: 1.2244380143398381
Energy: 1.0984056356651977
Energy: 1.2244380143389877
Energy: 0.9589225416602961
Energy: 1.2008884198826257
Energy: 0.9585775502627877
Energy: 1.2008884198834766
Energy: 0.9589225416602961
Energy: 1.2008884198826257
Energy: 1.0580693206661465
Energy: 1.2448204880100355
Energy: 0.9582739853444605
Energy: 1.2448204880091847
Energy: 1.0580693206661465
Energy: 1.2448204880091847
Energy: 0.9902256613894649
Energy: 1.200584413818381
Energy: 1.1898513596115918
Energy: 1.200584413818381
Energy: 0.9902256613894649
Energy: 1.200584413818381
Energy: 1.2187810971476314
Energy: 1.2448943727618564
Energy: 1.2605503741516129
Energy: 1.2448943727618564
Energy: 1.2187810971467807
Energy: 1.2448943727618564
Energy: 0.9592686077545504
Energy: 1.072256386617918
Energy: 1.2606456971313011
Energy: 1.0722563866136647
Energy: 0.9592686077545504
Energy: 1.072256386619619
Energy: 0.9879824361295885
Energy: 1.2447089546891588
Energy: 0.9586394932036123
Energy: 1.2447089546900096
Energy: 0.987982436130439
Energy: 1.2447089546900096
Energy: 0.990526928529282
Energy: 1.2439680334662016
Energy: 1.1897198891620102
Energy: 1.2439680334662016
Energy: 0.990526928529282
Energy: 1.2439680334662016
Energy: 0.9559806965922331
Energy: 1.2446822826849455
Energy: 0.9553077694832143
Energy: 1.2446822826857573
Energy: 0.9559806965922331
Energy: 1.2446822826857573

minimum gb energy = 0.9551527572686566 eV
minimum distance =  2.24867581699496 Angstroms
sigma value = 33


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

Energy: 1.1974173678809892
Energy: 1.1143664276305254
Energy: 1.0191265779562386
Energy: 1.1143664276299285
Energy: 1.197417367879795
Energy: 1.1143664276299285
Energy: 1.6442141658603426
Energy: 0.8950681244004407
Energy: 0.8486162434989614
Energy: 0.8950681244004407
Energy: 1.6442141658609395
Energy: 0.8950681244004407
Energy: 1.1646849354992468
Energy: 1.124630686076646
Energy: 0.9434882992453293
Energy: 1.124630686076646
Energy: 1.16468493549865
Energy: 1.124630686076646
Energy: 1.4899520845517484
Energy: 0.8653076041877786
Energy: 0.8484467896187222
Energy: 0.8653076041853905
Energy: 1.4899520845523455
Energy: 0.8653076041871816
Energy: 0.9238193418637904
Energy: 1.112028512371478
Energy: 0.8787484185971023
Energy: 1.112028512371478
Energy: 0.9238193418637904
Energy: 1.112028512372075
Energy: 1.340101274469643
Energy: 1.0772613033090113
Energy: 0.8485178288641381
Energy: 1.0772613033090113
Energy: 1.3401012744702403
Energy: 1.0772613033084142
Energy: 0.9160080254328145
Energy: 1.0759075952007524
Energy: 0.8532622937032995
Energy: 1.0759075952013495
Energy: 0.9160080254328145
Energy: 1.0759075952013495
Energy: 1.185683795365577
Energy: 1.0797085793305474
Energy: 0.8456368669949433
Energy: 1.0797085793311447
Energy: 1.1856837953661739
Energy: 1.0797085793311447
Energy: 0.8470684921650437
Energy: 1.1062072467056931
Energy: 0.9786125411407213
Energy: 1.1062072467056931
Energy: 0.8470684921644467
Energy: 1.1062072467062902
Energy: 1.0316060020307782
Energy: 1.098010668530635
Energy: 1.0208251492623346
Energy: 1.098010668530635
Energy: 1.0316060020313753
Energy: 1.098010668530635
Energy: 0.8490605422910531
Energy: 1.076104936206446
Energy: 1.0314964812124567
Energy: 1.0761049362070434
Energy: 0.8490605422910531
Energy: 1.0761049362070434
Energy: 1.3485555560674474
Energy: 1.1121671016013868
Energy: 1.0742504369716537
Energy: 1.11216710160079
Energy: 1.3485555560668507
Energy: 1.11216710160079
Energy: 1.0236149096044869
Energy: 1.105876681506353
Energy: 1.2750617066495764
Energy: 1.105876681506353
Energy: 1.0236149096050837
Energy: 1.105876681505756
Energy: 1.0409031348755777
Energy: 1.1140600717406606
Energy: 1.349631082995759
Energy: 1.1140600717412574
Energy: 1.0409031348761748
Energy: 1.1140600717406606
Energy: 1.0372303270463428
Energy: 1.076054944020949
Energy: 1.3496486989532017
Energy: 1.076054944020949
Energy: 1.037230327045746
Energy: 1.076054944020949
Energy: 1.02636663325671
Energy: 1.1153798570554854
Energy: 1.0740593687955464
Energy: 1.1153798570554854
Energy: 1.0263666332573074
Energy: 1.1153798570554854
Energy: 1.0237165805275188
Energy: 1.1005993940411245
Energy: 1.2662461236793985
Energy: 1.1005993940417214
Energy: 1.023716580528116
Energy: 1.1005993940417214
Energy: 0.8529811408591491
Energy: 1.1135091359288036
Energy: 1.0212323070580407
Energy: 1.113509135928207
Energy: 0.8529811408591491
Energy: 1.113509135928207
Energy: 1.0371547084656825
Energy: 1.0984510068063957
Energy: 1.0308315039805969
Energy: 1.0984510068063957
Energy: 1.0371547084662796
Energy: 1.0984510068063957
Energy: 0.8516444173683833
Energy: 1.1154552960599324
Energy: 0.845816147242656
Energy: 1.1154552960593358
Energy: 0.8516444173683833
Energy: 1.1154552960593358
Energy: 1.0235048931618134
Energy: 1.0947222871920694
Energy: 0.9786046916411798
Energy: 1.0947222871914721
Energy: 1.0235048931606192
Energy: 1.0947222871914721
Energy: 0.8451141098553138
Energy: 1.1134752678177806
Energy: 0.8488028694323994
Energy: 1.1134752678177806
Energy: 0.8451141098553138
Energy: 1.1134752678177806
Energy: 1.3545127085503188
Energy: 1.1037407999510844
Energy: 0.8535205593530052
Energy: 1.1037407999510844
Energy: 1.3545127085509159
Energy: 1.1037407999504876
Energy: 0.8553201820221421
Energy: 1.1155208710228648
Energy: 0.8487941666829004
Energy: 1.1155208710228648
Energy: 0.8553201820209481
Energy: 1.1155208710228648
Energy: 1.3417752088490116
Energy: 1.0956324423655455
Energy: 0.9828900273285196
Energy: 1.0956324423655455
Energy: 1.3417752088484147
Energy: 1.0956324423655455
Energy: 1.0749980690869543
Energy: 1.113441707079268
Energy: 0.8654414583315361
Energy: 1.113441707078671
Energy: 1.0749980690869543
Energy: 1.113441707078671
Energy: 1.6488751674783402
Energy: 0.8682707207987171
Energy: 0.853394632415675
Energy: 0.8682707207987171
Energy: 1.6488751674777433
Energy: 0.8682707208005082
Energy: 1.1053314195161736
Energy: 1.1115416105065998
Energy: 1.0367231917145976
Energy: 1.111541610507197
Energy: 1.1053314195108008
Energy: 1.111541610507197
Energy: 1.3438097879886186
Energy: 1.0855479644239985
Energy: 0.9344129049726417
Energy: 1.0855479644234014
Energy: 1.343809787988022
Energy: 1.0855479644234014
Energy: 1.0747335041836183
Energy: 1.1131040134188408
Energy: 1.0623161978576614
Energy: 1.1131040134194377
Energy: 1.0747335041830215
Energy: 1.1131040134200347
Energy: 1.346257138744319
Energy: 0.868215288466964
Energy: 0.8529470181979776
Energy: 0.8682152884657701
Energy: 1.3462571387455127
Energy: 0.8682152884651732
Energy: 0.8551409635141999
Energy: 1.0962170833893625
Energy: 0.9513517045621752
Energy: 1.0962170833893625
Energy: 0.855140963513006
Energy: 1.0962170833893625
Energy: 1.182885647540772
Energy: 1.073560969783872
Energy: 0.8514237921645266
Energy: 1.0735609697850663
Energy: 1.182885647540772
Energy: 1.0735609697850663
Energy: 0.8450639647402688
Energy: 1.078032174999562
Energy: 1.1971104660160972
Energy: 1.078032175000159
Energy: 0.845063964739075
Energy: 1.078032175000159
Energy: 1.1970101008424643
Energy: 1.0780279219934907
Energy: 0.8450595248618299
Energy: 1.0780279219934907
Energy: 1.1970101008424643
Energy: 1.0780279219934907
Energy: 0.8516727252667454
Energy: 1.0735806821546456
Energy: 1.1845995918863665
Energy: 1.0735806821534515
Energy: 0.8516727252667454
Energy: 1.0735806821534515
Energy: 0.9512472961068941
Energy: 1.0962251221129653
Energy: 0.8550640827430599
Energy: 1.096225122112368
Energy: 0.9512472961068941
Energy: 1.096225122112368
Energy: 0.8529057665130321
Energy: 0.8654442000749295
Energy: 1.349001426170887
Energy: 0.8654442000743324
Energy: 0.8529057665124351
Energy: 0.8654442000731385
Energy: 1.0623161978576614
Energy: 1.113274663960009
Energy: 1.0746366349272023
Energy: 1.113274663960009
Energy: 1.0623161978582585
Energy: 1.113274663960009
Energy: 1.026339189571261
Energy: 1.0854451270527756
Energy: 1.3439422694696652
Energy: 1.0854451270527756
Energy: 1.026339189571261
Energy: 1.0854451270527756
Energy: 1.0367699501650134
Energy: 1.1147219349732767
Energy: 1.1015435888394227
Energy: 1.1147219349726796
Energy: 1.0367699501644168
Energy: 1.1147219349726796
Energy: 0.8532427580993738
Energy: 0.8663476934523331
Energy: 1.6388733240995108
Energy: 0.8663476934547211
Energy: 0.8532427580987768
Energy: 0.8663476934529302
Energy: 0.8652434958862114
Energy: 1.1134311812018212
Energy: 1.0747394680337146
Energy: 1.1134311812006272
Energy: 0.8652434958856146
Energy: 1.1134311812006272
Energy: 1.0274020176757475
Energy: 1.0956689067750003
Energy: 1.3417004617624406
Energy: 1.0956689067750003
Energy: 1.0274020176757475
Energy: 1.0956689067755971
Energy: 0.848871839335336
Energy: 1.11550816794247
Energy: 0.855255195799164
Energy: 1.1155081679430672
Energy: 0.848871839335933
Energy: 1.1155081679430672
Energy: 0.8535631171286636
Energy: 1.1037407999546665
Energy: 1.3500566772908307
Energy: 1.1037407999552635
Energy: 0.8535631171292606
Energy: 1.1037407999552635
Energy: 0.8487684199474239
Energy: 1.113495986418206
Energy: 0.8453334634321756
Energy: 1.113495986417609
Energy: 0.848768419948618
Energy: 1.113495986418206

minimum gb energy = 0.8450595248618299 eV
minimum distance =  2.2843258789694 Angstroms
sigma value = 67


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

Energy: 0.25718393549580887
Energy: 0.2580996049111393
Energy: 0.8772682910512704
Energy: 0.2580996049111393
Energy: 0.25718393549580887
Energy: 0.2580996049115474
Energy: 0.2636136197609736
Energy: 0.7997178601917422
Energy: 0.6291230703494702
Energy: 0.799717860192513
Energy: 0.26361361976133635
Energy: 0.799717860192513
Energy: 0.25718393549580887
Energy: 0.2580996049107766
Energy: 0.8772682910516784
Energy: 0.2580996049115474
Energy: 0.25718393549580887
Energy: 0.2580996049111393
Energy: 0.2636136197605656
Energy: 0.7997178601917422
Energy: 0.629123004062846
Energy: 0.799717860192513
Energy: 0.2636136197609736
Energy: 0.799717860192513
Energy: 0.25718393549580887
Energy: 0.2580996049115474
Energy: 0.8772682910520412
Energy: 0.2580996049115474
Energy: 0.2571839354954462
Energy: 0.2580996049111393
Energy: 0.2636136197609736
Energy: 0.7997178601921502
Energy: 0.6291230429525835
Energy: 0.799717860192513
Energy: 0.2636136197609736
Energy: 0.799717860192513
Energy: 0.25718393549580887
Energy: 0.2580996049115474
Energy: 0.8772682910516784
Energy: 0.2580996049115474
Energy: 0.2571839354954462
Energy: 0.2580996049107766

minimum gb energy = 0.2571839354954462 eV
minimum distance =  2.43404413891317 Angstroms
sigma value = 3


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

Energy: 1.4740691421113508
Energy: 1.1036847250638568
Energy: 0.9675126689828413
Energy: 1.1036847250676574
Energy: 1.4740691421108079
Energy: 1.1036847250676574
Energy: 1.5995804795147166
Energy: 0.849142079684795
Energy: 0.8386128498590354
Energy: 0.849142079686967
Energy: 1.5995804795147166
Energy: 0.8491420796880528
Energy: 1.6195577154753278
Energy: 1.1078224535373453
Energy: 1.0314591304802503
Energy: 1.107822453538431
Energy: 1.6195577153526708
Energy: 1.1078224535389742
Energy: 1.3818733522395055
Energy: 0.8577962594309266
Energy: 0.8410022570762373
Energy: 0.8577962594292977
Energy: 1.381873352244392
Energy: 0.8577962594358131
Energy: 1.1803812768169215
Energy: 0.9096442322549436
Energy: 0.9589123734889278
Energy: 0.9096442322565724
Energy: 1.1803812768152926
Energy: 0.9096442322565724
Energy: 1.3766079812954777
Energy: 0.9472945120475503
Energy: 0.8945777499803735
Energy: 0.9472945120453786
Energy: 1.3766079812949348
Energy: 0.9472945120453786
Energy: 1.2513579798734158
Energy: 0.899294161784314
Energy: 1.0230740919369354
Energy: 0.8992941617783415
Energy: 1.2513579798728731
Energy: 0.8992941617837711
Energy: 1.2499316636994566
Energy: 1.075272242748615
Energy: 0.9118108705193096
Energy: 1.0752722427513295
Energy: 1.2499316636999995
Energy: 1.0752722427507868
Energy: 0.9339717682987102
Energy: 0.8797200681413516
Energy: 1.1857438614255984
Energy: 0.8797200681408087
Energy: 0.9339717682987102
Energy: 0.8797200681413516
Energy: 1.106200172827398
Energy: 1.0722584669255455
Energy: 1.1184564833180426
Energy: 1.0722584669288031
Energy: 1.106200172827941
Energy: 1.0722584669288031
Energy: 0.9254787551535846
Energy: 0.9728768741227184
Energy: 1.2643586368507336
Energy: 0.9728768741248903
Energy: 0.9254787551530416
Energy: 0.9728768741248903
Energy: 1.0713800146605708
Energy: 1.0903309994331878
Energy: 1.1376441350224407
Energy: 1.0903309994337305
Energy: 1.0713800146605708
Energy: 1.0903309994337305
Energy: 0.8385949119809818
Energy: 0.8338438303318811
Energy: 1.4701280182674756
Energy: 0.8338438303297094
Energy: 0.8385949119804388
Energy: 0.8338438303302523
Energy: 0.9927361796981364
Energy: 1.1000175263629979
Energy: 1.3923705444293648
Energy: 1.1000175263640837
Energy: 0.9927361796986792
Energy: 1.1000175263640837
Energy: 0.8397068761483766
Energy: 0.8476091938538186
Energy: 1.4687792731557308
Energy: 0.8476091938543614
Energy: 0.8397068761483766
Energy: 0.8476091938511037
Energy: 0.8430062395472793
Energy: 1.093772422923957
Energy: 1.3480054344010948
Energy: 1.093772422922871
Energy: 0.8430062395467364
Energy: 1.093772422922871
Energy: 0.8322355424856771
Energy: 0.8465804585629654
Energy: 1.3992968599147972
Energy: 0.8465804585662231
Energy: 0.8322355424851341
Energy: 0.8465804585640512
Energy: 0.8434398635947551
Energy: 1.0999347102814605
Energy: 1.4870496874468757
Energy: 1.0999347102792887
Energy: 0.8434398635947551
Energy: 1.0999347102792887
Energy: 0.8863949157125315
Energy: 1.0737935040558666
Energy: 1.3752075017510743
Energy: 1.0737935040558666
Energy: 0.8863949157125315
Energy: 1.0737935040558666
Energy: 0.8887637983198343
Energy: 1.0941757219736514
Energy: 1.1405456713494595
Energy: 1.0941757219741945
Energy: 0.8887637983203773
Energy: 1.0941757219736514
Energy: 0.8865185062032508
Energy: 1.0764371163508732
Energy: 1.3055590482498596
Energy: 1.0764371163497872
Energy: 0.8865185062032508
Energy: 1.0764371163497872
Energy: 0.9046146424101527
Energy: 1.0952514279710286
Energy: 1.123808395705855
Energy: 1.0952514279704855
Energy: 0.9046146424101527
Energy: 1.0952514279704855
Energy: 1.1040237342148342
Energy: 1.0766641003773816
Energy: 1.1028805396081902
Energy: 1.0766641003790105
Energy: 1.1040237342153774
Energy: 1.0766641003790105
Energy: 1.1214778185640304
Energy: 1.094389566130823
Energy: 0.9118996535197251
Energy: 1.0943895661329948
Energy: 1.1214778185640304
Energy: 1.0943895661329948
Energy: 1.1175043703371867
Energy: 1.0952664962656844
Energy: 1.0369663475775834
Energy: 1.0952664962662275
Energy: 1.1175043703371867
Energy: 1.0952664962656844
Energy: 1.142554410062815
Energy: 1.094987948831861
Energy: 0.9000597275452469
Energy: 1.094987948832404
Energy: 1.142554410063358
Energy: 1.094987948831861
Energy: 1.3819852392161582
Energy: 1.0945033741332788
Energy: 0.8874662264871168
Energy: 1.0945033741311072
Energy: 1.3819852392161582
Energy: 1.0945033741311072
Energy: 1.3986401167273028
Energy: 1.100035681923491
Energy: 0.8413258901742767
Energy: 1.1000356819207762
Energy: 1.3986401167278462
Energy: 1.1000356819202335
Energy: 1.4071787823290545
Energy: 1.0865104919322288
Energy: 0.993955461811728
Energy: 1.0865104919333146
Energy: 1.4071787823295976
Energy: 1.0865104919338577
Energy: 1.4231682014041693
Energy: 1.0939318189595932
Energy: 0.8410722880067325
Energy: 1.0939318189606793
Energy: 1.4231682014047122
Energy: 1.0939318189601361
Energy: 1.5379871252922146
Energy: 1.0934500291524056
Energy: 0.8418750800288295
Energy: 1.0934500291540346
Energy: 1.537987125291672
Energy: 1.0934500291540346
Energy: 1.398562966443872
Energy: 1.1010209601084937
Energy: 1.0050172659314662
Energy: 1.1010209601090368
Energy: 1.3985629664455006
Energy: 1.1010209601090368
Energy: 1.4074176623127084
Energy: 1.070526638857123
Energy: 0.8406698390361993
Energy: 1.070526638858209
Energy: 1.4074176623121655
Energy: 1.070526638858209
Energy: 1.1424048051811653
Energy: 1.0898941633490544
Energy: 0.8898402546037546
Energy: 1.0898941633490544
Energy: 1.1424048051811653
Energy: 1.0898941633490544
Energy: 1.3817387242938763
Energy: 1.0949739993032503
Energy: 0.9040455918085767
Energy: 1.0949739993037935
Energy: 1.3817387242927903
Energy: 1.0949739993037935
Energy: 1.1207484483434276
Energy: 1.072141291254353
Energy: 1.1012475205872747
Energy: 1.0721412912532673
Energy: 1.1207484483434276
Energy: 1.0721412912532673
Energy: 1.1173815798868447
Energy: 1.069854590977404
Energy: 0.9156039671294356
Energy: 1.0698545909752324
Energy: 1.1173815798868447
Energy: 1.0698545909752324
Energy: 0.9053437273429386
Energy: 1.0746623705498057
Energy: 1.0985948502667267
Energy: 1.0746623705530636
Energy: 0.9053437273429386
Energy: 1.0746623705530636
Energy: 1.105440108539424
Energy: 1.097408322762507
Energy: 1.213570367087495
Energy: 1.0974083227608782
Energy: 1.1054401085388812
Energy: 1.0974083227608782
Energy: 0.8880999834273832
Energy: 1.027077290154223
Energy: 1.3156943908456114
Energy: 1.027077290155309
Energy: 0.8880999834273832
Energy: 1.027077290155852
Energy: 0.8869366644464319
Energy: 1.082299852207623
Energy: 1.1385156191573624
Energy: 1.08229985220708
Energy: 0.8869366644464319
Energy: 1.082299852206537
Energy: 0.8443396866012002
Energy: 0.9961214501069545
Energy: 1.3226626424108445
Energy: 0.9961214501064116
Energy: 0.8443396866012002
Energy: 0.9961214501064116
Energy: 0.8865957096151951
Energy: 1.102029892572664
Energy: 1.4710037711351436
Energy: 1.1020298925742928
Energy: 0.8865957096151951
Energy: 1.1020298925742928
Energy: 0.83266663711384
Energy: 0.892377275984475
Energy: 1.5287747269399594
Energy: 0.8923772759850179
Energy: 0.83266663711384
Energy: 0.892377275984475
Energy: 0.843242337352609
Energy: 1.1139023712977503
Energy: 1.3481142328282294
Energy: 1.113902371299922
Energy: 0.843242337353152
Energy: 1.113902371299922
Energy: 0.8468756758410756
Energy: 0.851121854903168
Energy: 1.4665075570525183
Energy: 0.8511218549026249
Energy: 0.8468756758410756
Energy: 0.8511218549026249
Energy: 0.9036494200190409
Energy: 1.1023840953818211
Energy: 1.3904406018989768
Energy: 1.1023840953834498
Energy: 0.9036494200195839
Energy: 1.1023840953834498
Energy: 0.8391150290683288
Energy: 0.8461625022508098
Energy: 1.5258920406911987
Energy: 0.8461625022491809
Energy: 0.8391150290683288
Energy: 0.8461625022497239
Energy: 0.8981462238084461
Energy: 1.0821116491799245
Energy: 1.1401996690720138
Energy: 1.0821116491777527
Energy: 0.8981462238084461
Energy: 1.0821116491777527
Energy: 0.9024056399358616
Energy: 0.8844957523668447
Energy: 1.2511407118566604
Energy: 0.8844957523684734
Energy: 0.9024056399358616
Energy: 0.8844957523684734
Energy: 1.1098888935602327
Energy: 1.0734761360337126
Energy: 1.158493012336404
Energy: 1.0734761360337126
Energy: 1.1098888935602327
Energy: 1.0734761360342555

minimum gb energy = 0.8322355424851341 eV
minimum distance =  2.28090597554526 Angstroms
sigma value = 81


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

Energy: 1.47440630599177
Energy: 1.0432696377369204
Energy: 1.2361777736958175
Energy: 1.0432696377369204
Energy: 1.47440630599177
Energy: 1.0432696377369204
Energy: 1.3316635486931698
Energy: 0.9518238230687639
Energy: 0.9272690200140749
Energy: 0.9518238230687639
Energy: 1.3316635486931698
Energy: 0.9518238230695093
Energy: 1.4061352867147783
Energy: 1.2452133678451112
Energy: 1.1647678363820748
Energy: 1.2452133678451112
Energy: 1.4061352867147783
Energy: 1.2452133678443997
Energy: 1.3171272585753084
Energy: 0.9308833122562461
Energy: 0.9351713388346197
Energy: 0.9308833122562461
Energy: 1.3171272585753084
Energy: 0.9308833122562461
Energy: 1.0797112020224067
Energy: 0.932695376088059
Energy: 1.0017528157705018
Energy: 0.932695376088059
Energy: 1.0797112020224067
Energy: 0.932695376088059
Energy: 1.1710127968016357
Energy: 0.9328501441314299
Energy: 1.0193782827698497
Energy: 0.932850144132175
Energy: 1.1710127968023811
Energy: 0.9328501441314299
Energy: 1.051669492665605
Energy: 0.9292466991887423
Energy: 1.1816358018849906
Energy: 0.9292466991879971
Energy: 1.051669492665605
Energy: 0.9292466991872519
Energy: 1.01408643550327
Energy: 0.9357367154349807
Energy: 1.0505079678783469
Energy: 0.9357367154364711
Energy: 1.01408643550327
Energy: 0.9357367154342356
Energy: 0.933839924088867
Energy: 0.9232472127167733
Energy: 1.253674365063518
Energy: 0.9232472127175186
Energy: 0.9338399240881556
Energy: 0.9232472127175186
Energy: 1.0297286496052247
Energy: 1.2365575818396253
Energy: 1.3459421270786853
Energy: 1.2365575818396253
Energy: 1.0297286496052247
Energy: 1.2365575818396253
Energy: 0.9301805976771637
Energy: 0.9277171299327768
Energy: 1.240849287460391
Energy: 0.9277171299335221
Energy: 0.9301805976771637
Energy: 0.9277171299327768
Energy: 0.9359067786734815
Energy: 1.2435768252288855
Energy: 1.3231366476597637
Energy: 1.2435768252288855
Energy: 0.9359067786727363
Energy: 1.2435768252288855
Energy: 0.9222599036197169
Energy: 0.93638952539127
Energy: 1.2549206025345823
Energy: 0.93638952539127
Energy: 0.9222599036197169
Energy: 0.9363895253897797
Energy: 1.0024574650616351
Energy: 1.2364369288891595
Energy: 1.3452486313112928
Energy: 1.2364369288891595
Energy: 1.0024574650616351
Energy: 1.2364369288884143
Energy: 1.0005505556425858
Energy: 0.9442852700537792
Energy: 1.314244472320205
Energy: 0.9442852700537792
Energy: 1.0005505556425858
Energy: 0.9442852700522888
Energy: 1.0125120992419403
Energy: 1.243787314410796
Energy: 1.0504585583255786
Energy: 1.243787314411541
Energy: 1.0125120992419403
Energy: 1.243787314411541
Energy: 1.0046527974739492
Energy: 1.1883725396439966
Energy: 1.3120208671268205
Energy: 1.188372539645487
Energy: 1.0046527974746942
Energy: 1.188372539645487
Energy: 1.331604010659208
Energy: 1.2231034330652673
Energy: 1.0195058220785689
Energy: 1.2231034330660127
Energy: 1.331604010659208
Energy: 1.2231034330660127
Energy: 1.3466363878775836
Energy: 1.2386813233686675
Energy: 1.0040830918027797
Energy: 1.2386813233679563
Energy: 1.3466363878775836
Energy: 1.2386813233679563
Energy: 1.3420054771055365
Energy: 1.24425563947767
Energy: 0.9357179878567695
Energy: 1.2442556394769246
Energy: 1.3420054771047916
Energy: 1.2442556394769246
Energy: 1.341777579444361
Energy: 1.2367057644975679
Energy: 1.1596034400642927
Energy: 1.236705764498313
Energy: 1.3417775794436158
Energy: 1.236705764498313
Energy: 1.3414837233604564
Energy: 0.9419532418637033
Energy: 0.9311913915989546
Energy: 0.9419532418711213
Energy: 1.3414837233604564
Energy: 0.9419532418651597
Energy: 1.341413748247271
Energy: 1.2170058480417723
Energy: 0.9310881543335181
Energy: 1.217005848041027
Energy: 1.341413748248016
Energy: 1.217005848041027
Energy: 1.3418916061880828
Energy: 1.2365094817309332
Energy: 1.0951744212702355
Energy: 1.2365094817316789
Energy: 1.3418916061880828
Energy: 1.2365094817316789
Energy: 1.3418031894091924
Energy: 1.2443960808345782
Energy: 0.9348781985580255
Energy: 1.2443960808330878
Energy: 1.3418031894091924
Energy: 1.2443960808330878
Energy: 1.313204329947778
Energy: 1.238493835058469
Energy: 1.0038566114228396
Energy: 1.2384938350592143
Energy: 1.313204329947033
Energy: 1.2384938350592143
Energy: 1.3123743223377156
Energy: 1.2232278866043007
Energy: 1.0187361620918145
Energy: 1.2232278866035553
Energy: 1.3123743223384607
Energy: 1.2232278866035553
Energy: 1.0119556682026487
Energy: 1.1878303691318535
Energy: 1.144294757413234
Energy: 1.1878303691318535
Energy: 1.0119556682026487
Energy: 1.1878303691318535
Energy: 1.0050650405157964
Energy: 1.2440959807371337
Energy: 1.0434140333232549
Energy: 1.2440959807378786
Energy: 1.0050650405157964
Energy: 1.2440959807378786
Energy: 1.0004837738055838
Energy: 0.944285270053034
Energy: 1.255449742298015
Energy: 0.9442852700515436
Energy: 1.0004837738055838
Energy: 0.944285270053034
Energy: 1.0022620688936148
Energy: 1.2365293697639486
Energy: 1.3462743324876532
Energy: 1.2365293697632036
Energy: 1.0022620688936148
Energy: 1.2365293697624582
Energy: 0.9222093883288752
Energy: 0.9348379867612926
Energy: 1.2634137277482747
Energy: 0.9348379867612926
Energy: 0.9222093883296204
Energy: 0.9348379867620377
Energy: 0.9358779103986957
Energy: 1.2437190561379077
Energy: 1.2891209749143624
Energy: 1.2437190561379077
Energy: 0.9358779103994408
Energy: 1.2437190561379077
Energy: 0.9300505733482072
Energy: 0.9261592366953315
Energy: 1.2405330144055131
Energy: 0.9261592366960769
Energy: 0.9300505733482072
Energy: 0.926159236696822
Energy: 1.0297286496052247
Energy: 1.2366753828403725
Energy: 1.3453688992299178
Energy: 1.2366753828403725
Energy: 1.0297286496059699
Energy: 1.2366753828403725
Energy: 0.9338107177971126
Energy: 0.9229704357787799
Energy: 1.1620334723181622
Energy: 0.9229704357802703
Energy: 0.9338107177971126
Energy: 0.9229704357802703
Energy: 1.0145856248746508
Energy: 0.9367212629375922
Energy: 1.048804325365732
Energy: 0.9367212629383374
Energy: 1.0145856248746508
Energy: 0.9367212629398277
Energy: 1.051568252426515
Energy: 0.9297004303035721
Energy: 1.164904594350431
Energy: 0.9297004303035721
Energy: 1.0515682524272605
Energy: 0.9297004303028269

minimum gb energy = 0.9222093883288752 eV
minimum distance =  2.2966156438726 Angstroms
sigma value = 43


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

Energy: 1.560474988759073
Energy: 1.3452463247009196
Energy: 1.1863113088296031
Energy: 1.3452463247000044
Energy: 1.560474988759073
Energy: 1.3452463247000044
Energy: 1.3657457893825762
Energy: 1.0488186476403831
Energy: 0.9869082348174333
Energy: 1.0488186476403831
Energy: 1.3657457893825762
Energy: 1.0488186476403831
Energy: 1.054433588984823
Energy: 0.9848009954326833
Energy: 1.145852955935326
Energy: 0.9848009954326833
Energy: 1.054433588984823
Energy: 0.9848009954326833
Energy: 1.3699011286853955
Energy: 0.989042578032247
Energy: 0.9878365768229876
Energy: 0.989042578032247
Energy: 1.3699011286853955
Energy: 0.989042578032247
Energy: 1.0059469055483512
Energy: 0.9869106846289076
Energy: 1.1040513852488216
Energy: 0.9869106846279924
Energy: 1.0059469055483512
Energy: 0.9869106846279924
Energy: 1.00595987519154
Energy: 0.9925518652032724
Energy: 0.9868746960546256
Energy: 0.9925518652032724
Energy: 1.00595987519154
Energy: 0.9925518652032724
Energy: 0.9845013766552441
Energy: 0.9855570750533638
Energy: 1.1899461665634625
Energy: 0.9855570750533638
Energy: 0.9845013766552441
Energy: 0.9855570750533638
Energy: 1.0665235611776438
Energy: 0.9896527199226166
Energy: 1.037248843120204
Energy: 0.9896527199235319
Energy: 1.0665235611776438
Energy: 0.9896527199226166
Energy: 0.9863106919484954
Energy: 0.9877980758243838
Energy: 1.289076539903115
Energy: 0.9877980758243838
Energy: 0.9863106919484954
Energy: 0.9877980758243838
Energy: 1.0102631210378248
Energy: 1.3318059305676058
Energy: 1.4516189735269547
Energy: 1.3318059305676058
Energy: 1.0102631210378248
Energy: 1.3318059305676058
Energy: 0.9845827171054206
Energy: 1.3247458091571203
Energy: 1.1769454679876488
Energy: 1.3247458091571203
Energy: 0.9845827171054206
Energy: 1.3247458091571203
Energy: 0.9865549183342821
Energy: 0.98494153037379
Energy: 1.0371845819031582
Energy: 0.98494153037379
Energy: 0.9865549183342821
Energy: 0.9849415303747052
Energy: 0.9862054761555206
Energy: 0.9868691814605006
Energy: 1.2779648851583485
Energy: 0.9868691814605006
Energy: 0.9862054761555206
Energy: 0.9868691814605006
Energy: 0.9859208743448162
Energy: 1.3305083589018787
Energy: 0.986992591997487
Energy: 1.3305083589018787
Energy: 0.9859208743448162
Energy: 1.330508358902794
Energy: 0.9847536409894614
Energy: 0.9870323703305122
Energy: 0.9944657241899073
Energy: 0.9870323703305122
Energy: 0.9847536409894614
Energy: 0.9870323703314275
Energy: 1.3654822634426733
Energy: 0.9870234339605137
Energy: 0.9876961180615196
Energy: 0.9870234339605137
Energy: 1.3654822634426733
Energy: 0.9870234339605137
Energy: 1.3658759119877455
Energy: 0.9936958451662199
Energy: 1.2906529900381516
Energy: 0.9936958451662199
Energy: 1.3658759119868302
Energy: 0.9936958451662199
Energy: 1.4334514364677953
Energy: 1.3319154504001904
Energy: 0.990930485249427
Energy: 1.3319154504001904
Energy: 1.4334514364677953
Energy: 1.3319154504001904
Energy: 1.4519431161425012
Energy: 1.3298657437368642
Energy: 0.994045434268734
Energy: 1.3298657437368642
Energy: 1.4519431161425012
Energy: 1.3298657437368642
Energy: 1.3655601868408906
Energy: 1.3468384302594685
Energy: 0.9875948903506706
Energy: 1.3468384302594685
Energy: 1.3655601868408906
Energy: 1.3468384302594685
Energy: 1.3659434095896217
Energy: 1.3739303406279726
Energy: 0.9869540130734945
Energy: 1.3739303406279726
Energy: 1.3659434095896217
Energy: 1.3739303406279726
Energy: 0.9852712176819147
Energy: 0.9865527849332572
Energy: 0.9912701293207586
Energy: 0.9865527849332572
Energy: 0.98527121768283
Energy: 0.9865527849332572
Energy: 0.9851516504433112
Energy: 1.3301392761452586
Energy: 0.9863113896869491
Energy: 1.3301392761452586
Energy: 0.9851516504442265
Energy: 1.3301392761452586
Energy: 0.9867420508931347
Energy: 1.3235381144341098
Energy: 0.9889192833112169
Energy: 1.3235381144331944
Energy: 0.9867420508940501
Energy: 1.3235381144331944
Energy: 0.9862079359094373
Energy: 1.3738268507601472
Energy: 1.0382932419230062
Energy: 1.3738268507601472
Energy: 0.9862079359094373
Energy: 1.3738268507601472
Energy: 0.9849896516389969
Energy: 1.324474267152969
Energy: 1.371474359368513
Energy: 1.324474267152969
Energy: 0.9849896516389969
Energy: 1.324474267152969
Energy: 0.9864886790416701
Energy: 1.3300277398970488
Energy: 1.4511092322371337
Energy: 1.3300277398970488
Energy: 0.9864886790407549
Energy: 1.3300277398970488
Energy: 0.9868951974084611
Energy: 1.3137483573179345
Energy: 1.2245549794297497
Energy: 1.3137483573179345
Energy: 0.9868951974084611
Energy: 1.3137483573179345
Energy: 1.0633518795329577
Energy: 0.9924290067380739
Energy: 1.0383399782099383
Energy: 0.9924290067389892
Energy: 1.0633518795329577
Energy: 0.9924290067389892
Energy: 0.9850702953625382
Energy: 0.985918493498837
Energy: 1.1762090487878143
Energy: 0.985918493498837
Energy: 0.9850702953634537
Energy: 0.985918493498837
Energy: 0.9969125209204118
Energy: 0.9866778337097344
Energy: 0.9860669776266364
Energy: 0.9866778337097344
Energy: 0.9969125209204118
Energy: 0.9866778337097344

minimum gb energy = 0.9845013766552441 eV
minimum distance =  2.30116628518815 Angstroms
sigma value = 57


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

Energy: 1.1597609187533062
Energy: 1.4514275902302132
Energy: 1.4923965814590268
Energy: 1.4514275902302132
Energy: 1.1597609187533062
Energy: 1.451427590229028
Energy: 1.0798194886607788
Energy: 1.1493992717912767
Energy: 1.0724902735941904
Energy: 1.1493992717912767
Energy: 1.0798194886607788
Energy: 1.1493992717912767
Energy: 1.0808849069926891
Energy: 1.4543126835921432
Energy: 1.240172295059648
Energy: 1.4543126835921432
Energy: 1.0808849069926891
Energy: 1.4543126835921432
Energy: 1.0768705219877044
Energy: 1.0654079834615728
Energy: 1.0719187775657444
Energy: 1.0654079834615728
Energy: 1.0768705219877044
Energy: 1.0654079834615728
Energy: 1.0677501881830638
Energy: 1.0875266949952331
Energy: 1.079140263544114
Energy: 1.0875266949952331
Energy: 1.0677501881818787
Energy: 1.0875266949952331
Energy: 1.0766932503868125
Energy: 1.4396946748016415
Energy: 1.0759986416377776
Energy: 1.4396946748028265
Energy: 1.0766932503856272
Energy: 1.4396946748028265
Energy: 1.064826111723362
Energy: 1.0653610680700734
Energy: 1.0818718752500425
Energy: 1.0653610680700734
Energy: 1.064826111723362
Energy: 1.0653610680700734
Energy: 1.0755509911537442
Energy: 1.0708045320075867
Energy: 1.1574531306641547
Energy: 1.0708045320075867
Energy: 1.0755509911537442
Energy: 1.070804532008772
Energy: 1.0681553265991819
Energy: 1.147919975363698
Energy: 1.0838479639230627
Energy: 1.147919975363698
Energy: 1.0681553265991819
Energy: 1.147919975363698
Energy: 1.0667140134811384
Energy: 1.064233749165504
Energy: 1.0762177579654248
Energy: 1.0642337491643186
Energy: 1.0667140134811384
Energy: 1.064233749165504
Energy: 1.0640110451999178
Energy: 1.0643794851303605
Energy: 1.0747492435042962
Energy: 1.0643794851303605
Energy: 1.0640110451987328
Energy: 1.0643794851303605
Energy: 1.0702357713357686
Energy: 1.0682769137329728
Energy: 1.072236869772469
Energy: 1.0682769137329728
Energy: 1.0702357713357686
Energy: 1.0682769137341581
Energy: 1.0684129878968154
Energy: 1.4379561079255754
Energy: 1.1481899812069511
Energy: 1.4379561079255754
Energy: 1.0684129878968154
Energy: 1.4379561079255754
Energy: 1.0689949496104838
Energy: 1.0659067142528296
Energy: 1.0664192487680675
Energy: 1.0659067142528296
Energy: 1.0689949496104838
Energy: 1.0659067142528296
Energy: 1.070063898288996
Energy: 1.4339617328985272
Energy: 1.0646072453443296
Energy: 1.4339617328985272
Energy: 1.070063898290181
Energy: 1.4339617328997123
Energy: 1.069639276740701
Energy: 1.4597141362996116
Energy: 1.0725235863251763
Energy: 1.4597141363007966
Energy: 1.069639276740701
Energy: 1.4597141363007966
Energy: 1.0689267623700804
Energy: 1.0680732871334278
Energy: 1.0638545902877814
Energy: 1.0680732871322423
Energy: 1.0689267623700804
Energy: 1.0680732871322423
Energy: 1.066937658894351
Energy: 1.1000136284173063
Energy: 1.0669463643367343
Energy: 1.1000136284173063
Energy: 1.066937658893166
Energy: 1.1000136284173063
Energy: 1.0638490245572547
Energy: 1.0691508415091724
Energy: 1.0689621833637644
Energy: 1.0691508415091724
Energy: 1.0638490245560697
Energy: 1.0691508415079871
Energy: 1.0724618839751792
Energy: 1.459403273351427
Energy: 1.0696394298252396
Energy: 1.459403273351427
Energy: 1.0724618839751792
Energy: 1.459403273351427
Energy: 1.0647133838379061
Energy: 1.4339204767645115
Energy: 1.0704984115535383
Energy: 1.4339204767645115
Energy: 1.0647133838379061
Energy: 1.4339204767645115
Energy: 1.0665446799032077
Energy: 1.2922103682172814
Energy: 1.0692464830739696
Energy: 1.2922103682172814
Energy: 1.0665446799032077
Energy: 1.2922103682172814
Energy: 1.099454609270123
Energy: 1.4379816769960827
Energy: 1.0684167445194765
Energy: 1.4379816769960827
Energy: 1.099454609270123
Energy: 1.4379816769960827
Energy: 1.0722443881484105
Energy: 1.0677693166696816
Energy: 1.0702428827301909
Energy: 1.067769316670867
Energy: 1.0722443881484105
Energy: 1.0677693166696816

minimum gb energy = 1.0638490245560697 eV
minimum distance =  2.29756672167212 Angstroms
sigma value = 17


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

Energy: 1.1602917687033312
Energy: 1.159072961422049
Energy: 1.6906898926490104
Energy: 1.159072961422049
Energy: 1.1602917687033312
Energy: 1.159072961422049
Energy: 1.1771080052180471
Energy: 1.1484168524109069
Energy: 1.1489632115998185
Energy: 1.1484168524109069
Energy: 1.1771080052163712
Energy: 1.1484168524109069
Energy: 1.1506039574495184
Energy: 1.1507395615187033
Energy: 1.154684141083948
Energy: 1.1507395615187033
Energy: 1.1506039574495184
Energy: 1.1507395615187033
Energy: 1.1745439424455055
Energy: 1.1487938133891789
Energy: 1.1489547278762895
Energy: 1.1487938133891789
Energy: 1.1745439424455055
Energy: 1.1487938133891789
Energy: 1.1472511304746476
Energy: 1.1480275141638754
Energy: 1.1494736713954063
Energy: 1.1480275141638754
Energy: 1.1472511304746476
Energy: 1.1480275141638754
Energy: 1.1487012420758635
Energy: 1.1592143235086598
Energy: 1.1605186419977342
Energy: 1.1592143235086598
Energy: 1.1487012420775395
Energy: 1.1592143235086598
Energy: 1.1531172229248376
Energy: 1.3242898516357782
Energy: 1.1810624592498973
Energy: 1.3242898516357782
Energy: 1.1531172229248376
Energy: 1.3242898516357782
Energy: 1.1479864136538407
Energy: 1.4367802343714597
Energy: 1.1490499621229338
Energy: 1.4367802343714597
Energy: 1.1479864136538407
Energy: 1.4367802343731357
Energy: 1.1472950522498462
Energy: 1.147613171559492
Energy: 1.3239034324662224
Energy: 1.147613171559492
Energy: 1.1472950522498462
Energy: 1.147613171559492
Energy: 1.1596271455186293
Energy: 1.1314761915647977
Energy: 1.1490696030829526
Energy: 1.1314761915647977
Energy: 1.1596271455186293
Energy: 1.1314761915647977
Energy: 1.1621219627700374
Energy: 1.1480397026030738
Energy: 1.157011503560082
Energy: 1.1480397026030738
Energy: 1.1621219627700374
Energy: 1.1480397026013978
Energy: 1.147466493799025
Energy: 1.1509309489660398
Energy: 1.1544093198886756
Energy: 1.1509309489660398
Energy: 1.147466493799025
Energy: 1.1509309489660398
Energy: 1.1474962538469549
Energy: 1.2973963288871577
Energy: 1.1477961398973142
Energy: 1.2973963288888337
Energy: 1.1474962538469549
Energy: 1.2973963288888337
Energy: 1.147967772165787
Energy: 1.1480320562317905
Energy: 1.1492861121337383
Energy: 1.1480320562317905
Energy: 1.147967772165787
Energy: 1.1480320562317905
Energy: 1.152783653143833
Energy: 1.4162198269956514
Energy: 1.1597842827182194
Energy: 1.4162198269956514
Energy: 1.152783653143833
Energy: 1.4162198269973274
Energy: 1.1539512250606287
Energy: 1.1486336497151848
Energy: 1.1604135689153707
Energy: 1.1486336497151848
Energy: 1.1539512250606287
Energy: 1.1486336497151848
Energy: 1.1575915630503133
Energy: 1.1492007975976573
Energy: 1.147859096755361
Energy: 1.1492007975976573
Energy: 1.1575915630503133
Energy: 1.1492007975976573

minimum gb energy = 1.1314761915647977 eV
minimum distance =  2.27471988930909 Angstroms
sigma value = 17


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

Energy: 1.7127483445241969
Energy: 1.55948158008419
Energy: 1.646993781848823
Energy: 1.55948158008419
Energy: 1.7127483445241969
Energy: 1.5594815800848372
Energy: 1.4172244367640008
Energy: 1.1486272800700776
Energy: 1.1353921177252333
Energy: 1.1486272800694304
Energy: 1.4172244367633535
Energy: 1.1486272800694304
Energy: 1.1414554897342677
Energy: 1.2384192215322403
Energy: 1.131373493064327
Energy: 1.2384192215322403
Energy: 1.1414554897342677
Energy: 1.2384192215322403
Energy: 1.146149324459407
Energy: 1.13141542166697
Energy: 1.2495192971375675
Energy: 1.1314154216689116
Energy: 1.1461493244600542
Energy: 1.1314154216682644
Energy: 1.1350447702273272
Energy: 1.1866466646141458
Energy: 1.4536222722717638
Energy: 1.1866466646141458
Energy: 1.1350447702273272
Energy: 1.1866466646141458
Energy: 1.2618280710313516
Energy: 1.139201248509433
Energy: 1.2786781276246177
Energy: 1.1392012485087857
Energy: 1.2618280710313516
Energy: 1.1392012485087857
Energy: 1.136299802447162
Energy: 1.2600782148462506
Energy: 1.4149930767099912
Energy: 1.2600782148462506
Energy: 1.136299802447162
Energy: 1.2600782148456036
Energy: 1.3984467291707066
Energy: 1.1333990733832058
Energy: 1.1341112636737385
Energy: 1.1333990733832058
Energy: 1.3984467291707066
Energy: 1.1333990733832058
Energy: 1.28036351509629
Energy: 1.1388431432370314
Energy: 1.1528984605335744
Energy: 1.1388431432370314
Energy: 1.28036351509629
Energy: 1.1388431432370314
Energy: 1.3941998531016357
Energy: 1.1876817553683137
Energy: 1.136477619770383
Energy: 1.1876817553683137
Energy: 1.3941998531016357
Energy: 1.2055898159442295
Energy: 1.2510852031214719
Energy: 1.3786078566225237
Energy: 1.2448378658806172
Energy: 1.3786078566225237
Energy: 1.2510852031214719
Energy: 1.3786078566225237
Energy: 1.1466678937467079
Energy: 1.1469332357487418
Energy: 1.1484143777314004
Energy: 1.1469332357474475
Energy: 1.1466678937473553
Energy: 1.1469332357468
Energy: 1.137874915031733
Energy: 1.1353796411765582
Energy: 1.4279478191562556
Energy: 1.1353796411772052
Energy: 1.137874915031733
Energy: 1.1353796411765582
Energy: 1.158844640024655
Energy: 1.4134517495556267
Energy: 1.6297906254640677
Energy: 1.4134517495556267
Energy: 1.158844640024655
Energy: 1.413451749556274
Energy: 1.1540790738784603
Energy: 1.3865883248469089
Energy: 1.2439931425971233
Energy: 1.3865883248482034
Energy: 1.1540790738784603
Energy: 1.3865883248469089
Energy: 1.2506961384893656
Energy: 1.3706421293264015
Energy: 1.1488878850509447
Energy: 1.3706421293257545
Energy: 1.2506961384900128
Energy: 1.4703037473155356
Energy: 1.259005175440464
Energy: 1.132967983782431
Energy: 1.1545198313744913
Energy: 1.132967983783078
Energy: 1.259005175440464
Energy: 1.132967983783078
Energy: 1.6092394433553632
Energy: 1.4212523278884102
Energy: 1.1562833417027716
Energy: 1.4212523278884102
Energy: 1.6092394433553632
Energy: 1.4212523278884102
Energy: 1.6086734272082657
Energy: 1.374889518343997
Energy: 1.1398112282247943
Energy: 1.3748895183446441
Energy: 1.6086734272082657
Energy: 1.3748895183446441
Energy: 1.1459929407772331
Energy: 1.6059508849378588
Energy: 1.1459591204784987
Energy: 1.6059508849378588
Energy: 1.145992940776586
Energy: 1.6059508849385062
Energy: 1.1397809080435692
Energy: 1.375658532144908
Energy: 1.6086417287141448
Energy: 1.3756585321462025
Energy: 1.1397809080442163
Energy: 1.3756585321455552
Energy: 1.1562946789634863
Energy: 1.421237030550232
Energy: 1.609215590704663
Energy: 1.4212370305495847
Energy: 1.156294678962839
Energy: 1.4212370305495847
Energy: 1.154229744436423
Energy: 1.1324745541460477
Energy: 1.258626524247432
Energy: 1.1324745541460477
Energy: 1.154229744436423
Energy: 1.1324745541460477
Energy: 1.1488890838613244
Energy: 1.3707685609796352
Energy: 1.2509244338942163
Energy: 1.3707685609796352
Energy: 1.1488890838613244
Energy: 1.3707685609796352
Energy: 1.2439759644639081
Energy: 1.386183601756032
Energy: 1.1540737653015751
Energy: 1.3861836017566793
Energy: 1.243975964463261
Energy: 1.3861836017566793
Energy: 1.6712619688052084
Energy: 1.4135753554866317
Energy: 1.1588477589000306
Energy: 1.4135753554866317
Energy: 1.6712619688052084
Energy: 1.4135753554872792
Energy: 1.427523095202121
Energy: 1.135373620554384
Energy: 1.1376753624579639
Energy: 1.1353736205556786
Energy: 1.4275230952001794
Energy: 1.1353736205550313
Energy: 1.148434262718526
Energy: 1.146818650837077
Energy: 1.1465612619404633
Energy: 1.1468186508344882
Energy: 1.1484342627191733
Energy: 1.1468186508357825
Energy: 1.244654891773492
Energy: 1.3784023718241236
Energy: 1.2509506366224727
Energy: 1.3784023718241236
Energy: 1.2446548917728448
Energy: 1.3784023718241236
Energy: 1.1364968162683642
Energy: 1.1876817553689607
Energy: 1.394183494266618
Energy: 1.187681755369608
Energy: 1.1364968162683642
Energy: 1.1876817553689607
Energy: 1.1529059587375372
Energy: 1.1387793353529612
Energy: 1.2803727299346017
Energy: 1.1387793353536084
Energy: 1.152905958736272
Energy: 1.1387793353529612
Energy: 1.1341141950612574
Energy: 1.1330842367669298
Energy: 1.3984196029190101
Energy: 1.1330842367662828
Energy: 1.1341141950606102
Energy: 1.1330842367669298
Energy: 1.4147721492984815
Energy: 1.2600400224195214
Energy: 1.1363151847986475
Energy: 1.2600400224195214
Energy: 1.4147721492984815
Energy: 1.2600400224188744
Energy: 1.2787075827694452
Energy: 1.1386952469433584
Energy: 1.2623563247034395
Energy: 1.1386952469427112
Energy: 1.2787075827694452
Energy: 1.1386952469433584
Energy: 1.4537618161847463
Energy: 1.186646664614793
Energy: 1.1350413060732387
Energy: 1.186646664614793
Energy: 1.4537618161834516
Energy: 1.186646664614793
Energy: 1.2496888335695822
Energy: 1.1313217063852927
Energy: 1.1462905814982913
Energy: 1.1313217063852927
Energy: 1.2496888335695822
Energy: 1.13132170638594
Energy: 1.1314186038083944
Energy: 1.2384068108144746
Energy: 1.1414636667606257
Energy: 1.2384068108144746
Energy: 1.1314186038090417
Energy: 1.2384068108144746
Energy: 1.135392534902251
Energy: 1.1486270488676724
Energy: 1.4170947254310498
Energy: 1.1486270488676724
Energy: 1.135392534902251
Energy: 1.1486270488676724
Energy: 1.2598982614575946
Energy: 1.5594815800848372
Energy: 1.7127483445241969
Energy: 1.5594815800848372
Energy: 1.2598982614440026
Energy: 1.5594815800848372
Energy: 1.1353921177252333
Energy: 1.1486272800700776
Energy: 1.4172244367633535
Energy: 1.1486272800700776
Energy: 1.1353921177252333
Energy: 1.1486272800700776
Energy: 1.131373493063033
Energy: 1.238419221531593
Energy: 1.141455489734915
Energy: 1.238419221531593
Energy: 1.1313734930649746
Energy: 1.238419221531593
Energy: 1.24951929713692
Energy: 1.1314154216682644
Energy: 1.1461493244587597
Energy: 1.13141542166697
Energy: 1.24951929713692
Energy: 1.1314154216689116
Energy: 1.4536222722711165
Energy: 1.1866466646141458
Energy: 1.1350447702279745
Energy: 1.1866466646141458
Energy: 1.4536222722711165
Energy: 1.1866466646141458

minimum gb energy = 1.1313217063852927 eV
minimum distance =  2.25883833136391 Angstroms
sigma value = 57


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

Energy: 1.3037124044825237
Energy: 1.1060530206326928
Energy: 1.6632946800247355
Energy: 1.1060530206337464
Energy: 1.3037124044825237
Energy: 1.1060530206326928
Energy: 1.235846974146165
Energy: 1.1147903294131494
Energy: 1.1151789012892594
Energy: 1.1147903294120953
Energy: 1.235846974146165
Energy: 1.1147903294131494
Energy: 1.1053450688139135
Energy: 1.2713161306348622
Energy: 1.114928456790718
Energy: 1.2713161306369698
Energy: 1.1053450688139135
Energy: 1.271316130635916
Energy: 1.319104324484104
Energy: 1.2666137076891564
Energy: 1.2667144769778131
Energy: 1.2666137076881023
Energy: 1.319104324484104
Energy: 1.2666137076881023
Energy: 1.1082347844651468
Energy: 1.1747578679645683
Energy: 1.3188919182621908
Energy: 1.1747578679635142
Energy: 1.1082347844651468
Energy: 1.1747578679645683
Energy: 1.28130063123985
Energy: 1.2666427913159426
Energy: 1.266832369896123
Energy: 1.2666427913169964
Energy: 1.28130063123985
Energy: 1.2666427913180502
Energy: 1.1082697260961172
Energy: 1.2803880588011476
Energy: 1.11946683912152
Energy: 1.280388058804309
Energy: 1.1082697260961172
Energy: 1.280388058804309
Energy: 1.1067876381508046
Energy: 1.1861648297555458
Energy: 1.1151420089797077
Energy: 1.1861648297565999
Energy: 1.1067876381508046
Energy: 1.1861648297555458
Energy: 1.3055103311985823
Energy: 1.1055643832843287
Energy: 1.1202727573541968
Energy: 1.1055643832822208
Energy: 1.3055103311985823
Energy: 1.105564383281167
Energy: 1.2169614440211587
Energy: 1.1166754597122417
Energy: 1.1204558725995775
Energy: 1.1166754597132955
Energy: 1.2169614440201046
Energy: 1.1166754597132955
Energy: 1.1083895340451464
Energy: 1.1065961833784237
Energy: 1.2680074192080115
Energy: 1.1065961833784237
Energy: 1.1083895340451464
Energy: 1.1065961833805313
Energy: 1.1908269981401216
Energy: 1.268150491560199
Energy: 1.2703486281434462
Energy: 1.268150491562307
Energy: 1.1908269981390676
Energy: 1.268150491562307
Energy: 1.114174975648003
Energy: 1.2708875447496053
Energy: 1.2679541149130402
Energy: 1.2708875447496053
Energy: 1.1141749756490569
Energy: 1.2708875447496053
Energy: 1.2807270914062991
Energy: 1.305900093853182
Energy: 1.27040516375505
Energy: 1.3059000938521284
Energy: 1.2807270914073532
Energy: 1.3059000938500205
Energy: 1.1168565600283689
Energy: 1.2822072814395518
Energy: 1.1219065527678398
Energy: 1.2822072814395518
Energy: 1.1168565600283689
Energy: 1.2822072814406058
Energy: 1.1076458150858242
Energy: 1.1875717758988946
Energy: 1.1206126042334337
Energy: 1.187571775902056
Energy: 1.1076458150837163
Energy: 1.1875717758988946
Energy: 1.3123626295000241
Energy: 1.2566979302634909
Energy: 1.1272537781751668
Energy: 1.2566979302634909
Energy: 1.3123626295000241
Energy: 1.256697930270868
Energy: 1.2803937349361914
Energy: 1.2623208925691067
Energy: 1.123115809133133
Energy: 1.262320892566999
Energy: 1.2803937349351375
Energy: 1.262320892566999
Energy: 1.1172869888902721
Energy: 1.1098586466003448
Energy: 1.2795448244139824
Energy: 1.1098586466003448
Energy: 1.1172869888902721
Energy: 1.1098586466024525
Energy: 1.2693799158399701
Energy: 1.2598909364522388
Energy: 1.2784373663991289
Energy: 1.2598909364543467
Energy: 1.2693799158399701
Energy: 1.2598909364543467
Energy: 1.1141203142049976
Energy: 1.2607664634698317
Energy: 1.2673731500452428
Energy: 1.2607664634677238
Energy: 1.1141203142049976
Energy: 1.2607664634687779
Energy: 1.1231362769607398
Energy: 1.1065322874351113
Energy: 1.2788783648893072
Energy: 1.1065322874330037
Energy: 1.1231362769617939
Energy: 1.1065322874330037
Energy: 1.1179538174486343
Energy: 1.2729949118769543
Energy: 1.1278953478623328
Energy: 1.2729949118759007
Energy: 1.1179538174486343
Energy: 1.2729949118769543
Energy: 1.3178094486559009
Energy: 1.2639820170292622
Energy: 1.1216986923715204
Energy: 1.263982017030316
Energy: 1.3178094486559009
Energy: 1.2639820170313698
Energy: 1.3041376296198213
Energy: 1.2549414942045567
Energy: 1.1255561149079352
Energy: 1.2549414942056107
Energy: 1.3041376296198213
Energy: 1.2549414942056107
Energy: 1.1228859366911383
Energy: 1.2836276060439793
Energy: 1.1270405369127163
Energy: 1.2836276060450333
Energy: 1.1228859366911383
Energy: 1.2836276060450333
Energy: 1.1180353050447236
Energy: 1.107244927784416
Energy: 1.2740809052771147
Energy: 1.107244927784416
Energy: 1.1180353050457774
Energy: 1.107244927783362

minimum gb energy = 1.1053450688139135 eV
minimum distance =  2.30268884284215 Angstroms
sigma value = 43


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

Energy: 1.3628703079310647
Energy: 1.1789427434305884
Energy: 1.7195336099529919
Energy: 1.1789427434305884
Energy: 1.3628703079310647
Energy: 1.1789427434305884
Energy: 1.2330459105198692
Energy: 1.1753287677247704
Energy: 1.1580738408971876
Energy: 1.1753287677247704
Energy: 1.233045910520637
Energy: 1.1753287677247704
Energy: 1.1574236257322768
Energy: 1.310504787242891
Energy: 1.1580710948701733
Energy: 1.3105047872421232
Energy: 1.1574236257330444
Energy: 1.3105047872421232
Energy: 1.3680998588048503
Energy: 1.1574486299507867
Energy: 1.308061138614203
Energy: 1.1574486299500188
Energy: 1.3680998588056184
Energy: 1.1574486299500188
Energy: 1.156895779532605
Energy: 1.2329332922445098
Energy: 1.278259206261115
Energy: 1.2329332922437417
Energy: 1.1568957795333727
Energy: 1.2329332922437417
Energy: 1.290502416900305
Energy: 1.2896504973058394
Energy: 1.1787295651750997
Energy: 1.2896504973066072
Energy: 1.2905024168995372
Energy: 1.2896504973066072
Energy: 1.1803777134124627
Energy: 1.2901235083622118
Energy: 1.1759653505432126
Energy: 1.2901235083622118
Energy: 1.1803777134124627
Energy: 1.2901235083622118
Energy: 1.3006344436668702
Energy: 1.233078117958848
Energy: 1.1563104889075804
Energy: 1.233078117958848
Energy: 1.3006344436668702
Energy: 1.233078117958848
Energy: 1.3091340383470815
Energy: 1.1573354560773788
Energy: 1.312810050749392
Energy: 1.1573354560773788
Energy: 1.3091340383470815
Energy: 1.1573354560773788
Energy: 1.3994720654698796
Energy: 1.3115880513551457
Energy: 1.1619188846047548
Energy: 1.3115880513559135
Energy: 1.3994720654698796
Energy: 1.3115880513559135
Energy: 1.159662042833481
Energy: 1.228512076245038
Energy: 1.5314012519108022
Energy: 1.228512076245038
Energy: 1.159662042833481
Energy: 1.228512076245038
Energy: 1.1757227534291301
Energy: 1.1788429114287828
Energy: 1.3663826778470334
Energy: 1.1788429114287828
Energy: 1.1757227534291301
Energy: 1.1788429114287828
Energy: 1.1578886051566497
Energy: 1.1759856070379433
Energy: 1.3062700276234545
Energy: 1.1759856070379433
Energy: 1.1578886051566497
Energy: 1.1759856070379433
Energy: 1.3082294901403786
Energy: 1.157410558963945
Energy: 1.1615098873412606
Energy: 1.157410558963945
Energy: 1.3082294901403786
Energy: 1.157410558963945
Energy: 1.3137440149556114
Energy: 1.15810495296581
Energy: 1.1733250235318813
Energy: 1.1581049529665781
Energy: 1.3137440149556114
Energy: 1.1581049529665781
Energy: 1.291101742585934
Energy: 1.3069604668778494
Energy: 1.1551371788763551
Energy: 1.3069604668778494
Energy: 1.291101742585934
Energy: 1.3069604668778494
Energy: 1.1780222857757563
Energy: 1.1784747367819484
Energy: 1.2913948573603156
Energy: 1.1784747367827164
Energy: 1.1780222857757563
Energy: 1.1784747367819484
Energy: 1.1780944370666706
Energy: 1.292233523244274
Energy: 1.1778682060965058
Energy: 1.292233523244274
Energy: 1.1780944370666706
Energy: 1.292233523244274
Energy: 1.1731284975435436
Energy: 1.176523237265098
Energy: 1.307979026522434
Energy: 1.1765232372643304
Energy: 1.1731284975427758
Energy: 1.1765232372643304
Energy: 1.1573824390139134
Energy: 1.2894485144120784
Energy: 1.3081626399197905
Energy: 1.2894485144120784
Energy: 1.1573824390139134
Energy: 1.2894485144120784
Energy: 1.1574050362902462
Energy: 1.3132312827565145
Energy: 1.175120978151763
Energy: 1.3132312827565145
Energy: 1.1574050362902462
Energy: 1.3132312827565145
Energy: 1.6903550870800719
Energy: 1.1637468933203208
Energy: 1.1578079855375991
Energy: 1.1637468933203208
Energy: 1.6903550870800719
Energy: 1.163746893319553
Energy: 1.8030972561257523
Energy: 1.1560742681992777
Energy: 1.1748419860020105
Energy: 1.15607426819851
Energy: 1.8030972561257523
Energy: 1.1560742681992777
Energy: 1.1570768875820419
Energy: 1.3023046112902503
Energy: 1.1746861059197853
Energy: 1.3023046112902503
Energy: 1.15707688758281
Energy: 1.3023046112902503
Energy: 1.1576181183066814
Energy: 1.300654230556179
Energy: 1.3085245900525606
Energy: 1.300654230556179
Energy: 1.1576181183074492
Energy: 1.3006542305554114
Energy: 1.1728013427439579
Energy: 1.3322209372178646
Energy: 1.3079259584025187
Energy: 1.3322209372178646
Energy: 1.1728013427431898
Energy: 1.3322209372178646
Energy: 1.175341886506938
Energy: 1.4975901188603225
Energy: 1.2903094216508166
Energy: 1.4975901188603225
Energy: 1.175341886506938
Energy: 1.4975901188610905
Energy: 1.2905320716940267
Energy: 1.2770465018280976
Energy: 1.290498896604137
Energy: 1.2770465018273298
Energy: 1.2905320716940267
Energy: 1.2770465018273298
Energy: 1.2903027022627493
Energy: 1.4975927407018368
Energy: 1.1754025571056232
Energy: 1.4975927407010692
Energy: 1.2903027022627493
Energy: 1.4975927407010692
Energy: 1.3079763792787682
Energy: 1.3321404057913915
Energy: 1.172759742796565
Energy: 1.3321404057929267
Energy: 1.3079763792787682
Energy: 1.3321404057921589
Energy: 1.308300606942217
Energy: 1.2943239222947913
Energy: 1.1574656563978052
Energy: 1.294323922295559
Energy: 1.308300606942217
Energy: 1.2943239222940235
Energy: 1.1746690770597386
Energy: 1.3022781714074678
Energy: 1.1570740086275921
Energy: 1.3022781714074678
Energy: 1.1746690770589707
Energy: 1.3022781714074678
Energy: 1.1748368128527935
Energy: 1.1560584971624062
Energy: 1.803148028837423
Energy: 1.1560584971624062
Energy: 1.1748368128535611
Energy: 1.1560584971624062
Energy: 1.1580666188710693
Energy: 1.1639072339632879
Energy: 1.6904319437505637
Energy: 1.1639072339632879
Energy: 1.1580666188710693
Energy: 1.1639072339632879
Energy: 1.1751288123482626
Energy: 1.313558194203782
Energy: 1.1573595123463207
Energy: 1.3135581942030141
Energy: 1.1751288123490304
Energy: 1.3135581942030141
Energy: 1.3081792572501227
Energy: 1.289233533985229
Energy: 1.157356977248317
Energy: 1.289233533985229
Energy: 1.3081792572501227
Energy: 1.289233533985229

minimum gb energy = 1.1551371788763551 eV
minimum distance =  2.28488230792642 Angstroms
sigma value = 81


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

Energy: 1.1970256370294043
Energy: 1.1980063292786614
Energy: 2.0715501635899205
Energy: 1.1980063292786614
Energy: 1.1970256370294043
Energy: 1.1980063292789498
Energy: 1.1984625758714371
Energy: 1.1979447600527253
Energy: 1.1970491446740248
Energy: 1.1979447600527253
Energy: 1.1984625758714371
Energy: 1.1979447600527253
Energy: 1.197047250872565
Energy: 1.1979479052781665
Energy: 1.1980592690221643
Energy: 1.1979479052781665
Energy: 1.1970472508723085
Energy: 1.1979479052781665
Energy: 2.071550163590209
Energy: 1.1980063292786614
Energy: 1.1970256370291477
Energy: 1.1980063292786614
Energy: 2.071550163590209
Energy: 1.1980063292786614
Energy: 1.1970491446740248
Energy: 1.1979447600524367
Energy: 1.1984625758719822
Energy: 1.197944760052982
Energy: 1.1970491446740248
Energy: 1.1979447600527253
Energy: 1.1980592690215874
Energy: 1.1979479052781665
Energy: 1.1970472508723085
Energy: 1.1979479052781665
Energy: 1.1980592690210425
Energy: 1.1979479052781665
Energy: 1.1970256370294043
Energy: 1.1980063292789498
Energy: 2.0715501635899205
Energy: 1.1980063292786614
Energy: 1.1970256370294043
Energy: 1.1980063292789498
Energy: 1.1984625758719822
Energy: 1.1979447600527253
Energy: 1.1970491446737686
Energy: 1.1979447600527253
Energy: 1.1984625758711485
Energy: 1.1979447600527253
Energy: 1.1970472508723085
Energy: 1.1979479052781665
Energy: 1.1980592690227416
Energy: 1.1979479052781665
Energy: 1.197047250872565
Energy: 1.1979479052781665
Energy: 2.071550163590209
Energy: 1.1980063292783727
Energy: 1.1970256370294043
Energy: 1.1980063292789498
Energy: 2.071550163590209
Energy: 1.1980063292786614

minimum gb energy = 1.1970256370291477 eV
minimum distance =  2.25712763771489 Angstroms
sigma value = 3


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

Energy: 1.6375640506022993
Energy: 1.184239380445945
Energy: 1.6381384521762334
Energy: 1.184239380445945
Energy: 1.6375640506022993
Energy: 1.184239380445945
Energy: 1.1542939547881401
Energy: 1.1657751767185127
Energy: 1.1406392873886462
Energy: 1.1657751767185127
Energy: 1.1542939547881401
Energy: 1.1657751767185127
Energy: 1.1492169485315604
Energy: 1.1494105329449507
Energy: 1.1297924823869425
Energy: 1.1494105329457949
Energy: 1.1492169485315604
Energy: 1.1494105329457949
Energy: 1.147478954160497
Energy: 1.3859593469121154
Energy: 1.3127331844185888
Energy: 1.3859593469129596
Energy: 1.1474789541630304
Energy: 1.3859593469129596
Energy: 1.2775435653710225
Energy: 1.1555294310243593
Energy: 1.1403631180266103
Energy: 1.1555294310243593
Energy: 1.2775435653701779
Energy: 1.1555294310243593
Energy: 1.3714746481865518
Energy: 1.193861881745413
Energy: 1.1291110794802712
Energy: 1.193861881745413
Energy: 1.3714746481865518
Energy: 1.193861881745413
Energy: 1.2775300873743978
Energy: 1.156576916988848
Energy: 1.1660359723862932
Energy: 1.156576916988848
Energy: 1.277530087375242
Energy: 1.156576916989692
Energy: 1.1561504156646591
Energy: 1.562395565665055
Energy: 1.3132300922411102
Energy: 1.5623955656633663
Energy: 1.1561504156646591
Energy: 1.5623955656633663
Energy: 1.148867940793308
Energy: 1.1479878293346444
Energy: 1.3358488722338275
Energy: 1.1479878293338004
Energy: 1.148867940793308
Energy: 1.1479878293338004
Energy: 1.1494372410457543
Energy: 1.1666675807765727
Energy: 1.1437097895375246
Energy: 1.1666675807765727
Energy: 1.1494372410457543
Energy: 1.1666675807757283
Energy: 1.6160179460394282
Energy: 1.1268959816564683
Energy: 1.1669485636752037
Energy: 1.1268959816556243
Energy: 1.6160179460394282
Energy: 1.1268959816556243
Energy: 1.6178588649859271
Energy: 1.1411426128689377
Energy: 1.1399708329355884
Energy: 1.1411426128689377
Energy: 1.6178588649859271
Energy: 1.1411426128680933
Energy: 1.1490101197707123
Energy: 1.3412599471556237
Energy: 1.1402994254697514
Energy: 1.3412599471547797
Energy: 1.1490101197707123
Energy: 1.3412599471547797
Energy: 1.1514716719431513
Energy: 1.2592745903708928
Energy: 1.3125888983469165
Energy: 1.259274590371737
Energy: 1.1514716719439957
Energy: 1.2592745903708928
Energy: 1.2774913527532996
Energy: 1.2489987198672834
Energy: 1.3119729307207804
Energy: 1.2489987198672834
Energy: 1.2774913527524552
Energy: 1.2489987198672834
Energy: 1.277487780203601
Energy: 1.1674147641864399
Energy: 1.1269364271063809
Energy: 1.1674147641864399
Energy: 1.277487780203601
Energy: 1.1674147641864399
Energy: 1.2775861851429726
Energy: 1.1672196447843104
Energy: 1.127395278919231
Energy: 1.1672196447834664
Energy: 1.277586185143817
Energy: 1.1672196447834664
Energy: 1.2772584868211296
Energy: 1.2796719413118864
Energy: 1.3117593421360925
Energy: 1.2796719413110422
Energy: 1.2772584868211296
Energy: 1.2796719413110422
Energy: 1.1494085433651664
Energy: 1.1566387713077948
Energy: 1.312164982579222
Energy: 1.156638771308639
Energy: 1.149408543364322
Energy: 1.156638771308639
Energy: 1.1494251770381372
Energy: 1.332827101009889
Energy: 1.1400848941312443
Energy: 1.332827101009889
Energy: 1.1494251770381372
Energy: 1.332827101009889
Energy: 1.5282300987067838
Energy: 1.2629331001132862
Energy: 1.1402528528600515
Energy: 1.2629331001132862
Energy: 1.5282300987067838
Energy: 1.262933100112442
Energy: 1.5299349052433722
Energy: 1.2891963421791897
Energy: 1.2913652187899223
Energy: 1.2891963421791897
Energy: 1.5299349052433722
Energy: 1.289196342180034
Energy: 1.1495603015155968
Energy: 1.3134995578282176
Energy: 1.1401117276276849
Energy: 1.3134995578273732
Energy: 1.1495603015155968
Energy: 1.3134995578273732
Energy: 1.1496251894739762
Energy: 1.1494333672452626
Energy: 1.3827003849821147
Energy: 1.1494333672444184
Energy: 1.1496251894739762
Energy: 1.1494333672444184
Energy: 1.15736419749934
Energy: 1.281506386217605
Energy: 1.3152338793790543
Energy: 1.281506386217605
Energy: 1.1573641975001843
Energy: 1.281506386217605
Energy: 1.2781277992644153
Energy: 1.167764911829337
Energy: 1.1941083837368265
Energy: 1.167764911829337
Energy: 1.2781277992644153
Energy: 1.167764911829337
Energy: 1.277782934309651
Energy: 1.1666656926604184
Energy: 1.128034081432214
Energy: 1.1666656926612626
Energy: 1.277782934309651
Energy: 1.1666656926612626
Energy: 1.2779712471674864
Energy: 1.2524375998058745
Energy: 1.1415695164435105
Energy: 1.2524375998050303
Energy: 1.2779712471674864
Energy: 1.2524375998058745
Energy: 1.1953566981797772
Energy: 1.1405595079214537
Energy: 1.312383825979152
Energy: 1.140559507922298
Energy: 1.1953566981797772
Energy: 1.140559507922298
Energy: 1.1505666634971863
Energy: 1.1490961528962873
Energy: 1.3563723989830199
Energy: 1.1490961528954429
Energy: 1.1505666634980307
Energy: 1.1490961528954429
Energy: 1.160664728501293
Energy: 1.1668565682702978
Energy: 1.1425128999113932
Energy: 1.1668565682702978
Energy: 1.1606647285021374
Energy: 1.1668565682702978
Energy: 1.6134522004730971
Energy: 1.2781179136473957
Energy: 1.1650195323843622
Energy: 1.27811791364824
Energy: 1.6134522004730971
Energy: 1.2781179136473957
Energy: 1.1553772298495297
Energy: 1.1661430363704524
Energy: 1.1403948485888633
Energy: 1.166143036372141
Energy: 1.1553772298503742
Energy: 1.166143036372141

minimum gb energy = 1.1268959816556243 eV
minimum distance =  2.24752545915624 Angstroms
sigma value = 67


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

Energy: 1.33026197679037
Energy: 1.1812084028919094
Energy: 1.607948835236803
Energy: 1.1812084028931125
Energy: 1.33026197679037
Energy: 1.1812084028919094
Energy: 1.1463745924823947
Energy: 1.1007198028474812
Energy: 1.1073246786070583
Energy: 1.1007198028486838
Energy: 1.1463745924823947
Energy: 1.1007198028474812
Energy: 1.101104486958252
Energy: 1.1711375710094607
Energy: 1.0909286205775748
Energy: 1.1711375710094607
Energy: 1.101104486958252
Energy: 1.1711375710082579
Energy: 1.3452612592925528
Energy: 1.1719534813963244
Energy: 1.2569308367443968
Energy: 1.1719534813927703
Energy: 1.3452612592721023
Energy: 1.1719534813927703
Energy: 1.2555859558067943
Energy: 1.1674464895932888
Energy: 1.137605497104813
Energy: 1.1674464895920857
Energy: 1.2555859558055913
Energy: 1.1674464895932888
Energy: 1.2555186939854515
Energy: 1.1002762328773215
Energy: 1.0912889937847747
Energy: 1.1002762328773215
Energy: 1.2555186939854515
Energy: 1.1002762328773215
Energy: 1.2550244541631064
Energy: 1.0999569246884002
Energy: 1.100809883695505
Energy: 1.0999569246871974
Energy: 1.2550244541631064
Energy: 1.0999569246871974
Energy: 1.2526830505557032
Energy: 1.440817135890449
Energy: 1.6646433369883848
Energy: 1.440817135890449
Energy: 1.2526830505557032
Energy: 1.440817135890449
Energy: 1.2578628813515205
Energy: 1.100747761601438
Energy: 1.655298131513481
Energy: 1.100747761599032
Energy: 1.2578628813515205
Energy: 1.100747761600235
Energy: 1.260772529769009
Energy: 1.1003668037312002
Energy: 1.1043699690685342
Energy: 1.1003668037312002
Energy: 1.260772529770212
Energy: 1.100366803729997
Energy: 1.2592297749186832
Energy: 1.1008468734788026
Energy: 1.1027490568693488
Energy: 1.1008468734788026
Energy: 1.2592297749186832
Energy: 1.1008468734775996
Energy: 1.2553449477998957
Energy: 1.164862303324466
Energy: 1.2559958938333562
Energy: 1.1648623033256689
Energy: 1.2553449477986927
Energy: 1.1648623033256689
Energy: 1.1015145420975072
Energy: 1.1016383286955216
Energy: 1.2590358682874994
Energy: 1.1016383286967248
Energy: 1.1015145420987102
Energy: 1.1016383286967248
Energy: 1.1064978036132496
Energy: 1.1048880505309502
Energy: 1.256317577081161
Energy: 1.1048880505309502
Energy: 1.1064978036132496
Energy: 1.1048880505297471
Energy: 1.59431153332832
Energy: 1.3033861478411066
Energy: 1.2577125412723669
Energy: 1.3033861478387008
Energy: 1.59431153332832
Energy: 1.3033861478387008
Energy: 1.337479185713241
Energy: 1.3355523976712564
Energy: 1.2530996201190086
Energy: 1.3355523976712564
Energy: 1.337479185712038
Energy: 1.3355523976700532
Energy: 1.1015222085811318
Energy: 1.0999631780376473
Energy: 1.0938189365427013
Energy: 1.0999631780364447
Energy: 1.1015222085811318
Energy: 1.0999631780364447
Energy: 1.0936988041870233
Energy: 1.1002018234310316
Energy: 1.255709192376196
Energy: 1.1002018234298283
Energy: 1.0936988041870233
Energy: 1.1002018234298283
Energy: 1.137541901040721
Energy: 1.172711831819039
Energy: 1.2555130754363606
Energy: 1.172711831820242
Energy: 1.137541901040721
Energy: 1.1727118318166332
Energy: 1.2572060131549316
Energy: 1.1021169998006657
Energy: 1.3398500999009761
Energy: 1.1021169998006657
Energy: 1.2572060131549316
Energy: 1.1021169997994629
Energy: 1.09116941943738
Energy: 1.1367973864522527
Energy: 1.0855312964643558
Energy: 1.1367973864534557
Energy: 1.091169419655011
Energy: 1.1367973864522527
Energy: 1.1091035857028044
Energy: 1.1008477241789516
Energy: 1.320464112217656
Energy: 1.1008477241801546
Energy: 1.1091035857028044
Energy: 1.1008477241801546
Energy: 1.358272259981588
Energy: 1.090060215910785
Energy: 1.1484910282849665
Energy: 1.0900602158579082
Energy: 1.3582722599827908
Energy: 1.0900602157484913

minimum gb energy = 1.0855312964643558 eV
minimum distance =  2.27128076174987 Angstroms
sigma value = 33


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

Energy: 1.4442314509097267
Energy: 1.067118672362413
Energy: 1.6122415981917324
Energy: 1.0671186723616497
Energy: 1.4442314509104897
Energy: 1.0671186723608865
Energy: 1.4921469076155598
Energy: 1.0476619992323932
Energy: 1.0264830389059352
Energy: 1.0476619992323932
Energy: 1.4921469076155598
Energy: 1.0476619992331564
Energy: 1.0304453046678925
Energy: 1.1075866370495975
Energy: 1.4919328760225705
Energy: 1.1075866370503606
Energy: 1.0304453046678925
Energy: 1.1075866370503606
Energy: 1.1076924942123523
Energy: 1.0265407342424713
Energy: 1.042965409692416
Energy: 1.0265407342424713
Energy: 1.1076924942123523
Energy: 1.0265407342424713
Energy: 1.3790131927624285
Energy: 1.027326297627374
Energy: 1.3567937953844669
Energy: 1.0273262976311897
Energy: 1.3790131927624285
Energy: 1.0273262976281372
Energy: 1.3789741666845832
Energy: 1.048629881297324
Energy: 1.034163117689577
Energy: 1.0486298812980872
Energy: 1.3789741666845832
Energy: 1.048629881297324
Energy: 1.0311607875483781
Energy: 1.0477405948402663
Energy: 1.054953077216067
Energy: 1.0477405948410294
Energy: 1.0311607875483781
Energy: 1.0477405948410294
Energy: 1.0494725489244523
Energy: 1.0263604701710654
Energy: 1.3808483825905082
Energy: 1.0263604701725915
Energy: 1.0494725489252155
Energy: 1.0263604701725915
Energy: 1.358087699782638
Energy: 1.2870524843721358
Energy: 1.3809711488157692
Energy: 1.2870524843721358
Energy: 1.358087699782638
Energy: 1.2870524843721358
Energy: 1.0454395470434932
Energy: 1.045982321662348
Energy: 1.0335402063704813
Energy: 1.045982321662348
Energy: 1.0454395470434932
Energy: 1.045982321662348
Energy: 1.0290587679084493
Energy: 1.0490735746267272
Energy: 1.0521140471109902
Energy: 1.0490735746267272
Energy: 1.0290587679084493
Energy: 1.0490735746274558
Energy: 1.0298620737130681
Energy: 1.1084211267445743
Energy: 1.494339876813152
Energy: 1.1084211267445743
Energy: 1.0298620737130681
Energy: 1.1084211267445743
Energy: 1.378724691322038
Energy: 1.4905438042265113
Energy: 1.4265367460555929
Energy: 1.4905438042265113
Energy: 1.378724691322038
Energy: 1.4905438042265113
Energy: 1.0268340355339296
Energy: 1.0486737621683497
Energy: 1.0350578012229896
Energy: 1.0486737621683497
Energy: 1.0268340355339296
Energy: 1.0486737621675866
Energy: 1.4026449434748993
Energy: 1.1073955755011984
Energy: 1.0273534875313457
Energy: 1.1073955755011984
Energy: 1.4026449434748993
Energy: 1.1073955755011984
Energy: 1.0427392965472997
Energy: 1.0265050135340905
Energy: 1.4993422013775228
Energy: 1.0265050135333273
Energy: 1.0427392965472997
Energy: 1.0265050135333273
Energy: 1.5416734527857394
Energy: 1.050622059430934
Energy: 1.3907281347146638
Energy: 1.050622059431697
Energy: 1.5416734527849765
Energy: 1.050622059430934
Energy: 1.028162917235569
Energy: 1.0473549444751826
Energy: 1.2889003936039078
Energy: 1.0473549444751826
Energy: 1.0281629172348057
Energy: 1.0473549444759458
Energy: 1.193427414748393
Energy: 1.0474261342182893
Energy: 1.0274824881533162
Energy: 1.0474261342175264
Energy: 1.193427414749156
Energy: 1.0474261342182893
Energy: 1.3743083098432973
Energy: 1.0275822160027466
Energy: 1.0478344387469947
Energy: 1.0275822160019834
Energy: 1.3743083098432973
Energy: 1.0275822160027466
Energy: 1.5143286742164463
Energy: 1.2806421703935498
Energy: 1.0436151366839297
Energy: 1.2806421703927868
Energy: 1.5143286742172095
Energy: 1.2806421703920237
Energy: 1.0285521054957036
Energy: 1.048036388393586
Energy: 1.3566030308848427
Energy: 1.048036388392823
Energy: 1.0285521054957036
Energy: 1.048036388393586
Energy: 1.0557907478634703
Energy: 1.0491106036843918
Energy: 1.0280205707295251
Energy: 1.0491106036836289
Energy: 1.0557907478634703
Energy: 1.0491106036836289
Energy: 1.423072593085701
Energy: 1.1111527776493537
Energy: 1.027118773512228
Energy: 1.1111527776485906
Energy: 1.4230725930849728
Energy: 1.1111527776501169
Energy: 1.6896146386507098
Energy: 1.1074644492325547
Energy: 1.0338954255230217
Energy: 1.1074644492325547
Energy: 1.6896146386499469
Energy: 1.1074644492317913
Energy: 1.0540440877937132
Energy: 1.3837030810306992
Energy: 1.0304143120923734
Energy: 1.3837030810314621
Energy: 1.0540440877937132
Energy: 1.3837030810314621
Energy: 1.0304188335574747
Energy: 1.0485244828170084
Energy: 1.358525057518464
Energy: 1.048524482816245
Energy: 1.0304188335567115
Energy: 1.0485244828170084
Energy: 1.379051829329616
Energy: 1.270722253440826
Energy: 1.0454042126854604
Energy: 1.270722253441589
Energy: 1.379051829329616
Energy: 1.270722253440826
Energy: 1.3847608114942151
Energy: 1.026903844879415
Energy: 1.0489430484898505
Energy: 1.0269038448786518
Energy: 1.3847608114942151
Energy: 1.0269038448786518
Energy: 1.0496797148232762
Energy: 1.0473511049453432
Energy: 1.0285021937773922
Energy: 1.0473511049453432
Energy: 1.0496797148232762
Energy: 1.04735110494458
Energy: 1.0304107771730542
Energy: 1.2614124972671068
Energy: 1.4911074647698916
Energy: 1.2614124972671068
Energy: 1.0304107771730542
Energy: 1.2614124972663436
Energy: 1.3587199859922765
Energy: 1.050718773800778
Energy: 1.412102529300926
Energy: 1.050718773801541
Energy: 1.3587199859922765
Energy: 1.050718773801541
Energy: 1.0424692096283124
Energy: 1.0280866769122428
Energy: 1.4535410502419848
Energy: 1.028086676913006
Energy: 1.0424692096283124
Energy: 1.0280866769122428
Energy: 1.2882972924296943
Energy: 1.1072999472850908
Energy: 1.0281275007730615
Energy: 1.1072999472850908
Energy: 1.2882972924296943
Energy: 1.1072999472850908
Energy: 1.0264409923588085
Energy: 1.0476324292501582
Energy: 1.2827016689729125
Energy: 1.0476324292516843
Energy: 1.0264409923588085
Energy: 1.0476324292493948
Energy: 1.3789860477897358
Energy: 1.0669436851714822
Energy: 1.4202535128085363
Energy: 1.0669436851714822
Energy: 1.3789860477897358
Energy: 1.0669436851714822
Energy: 1.0274094583629245
Energy: 1.1090056777144426
Energy: 1.4926410800577752
Energy: 1.1090056777144426
Energy: 1.0274094583629245
Energy: 1.1090056777136792

minimum gb energy = 1.0263604701710654 eV
minimum distance =  2.26581032023241 Angstroms
sigma value = 41


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

Energy: 0.888915183624262
Energy: 0.862637858380845
Energy: 1.7681245806776922
Energy: 0.862637858380845
Energy: 0.8889151836221786
Energy: 0.862637858380845
Energy: 1.5223418598423593
Energy: 0.8612749062328457
Energy: 0.8627693131215318
Energy: 0.8612749062328457
Energy: 1.5223418598423593
Energy: 0.861274906230762
Energy: 0.8891891197153059
Energy: 1.0948612009558183
Energy: 0.865442904325613
Energy: 1.0948612009558183
Energy: 0.8891891197153059
Energy: 1.0948612009558183
Energy: 1.5901740034701233
Energy: 0.8614641770463213
Energy: 0.8628627957143277
Energy: 0.8614641770484048
Energy: 1.5901740034701233
Energy: 0.8614641770484048
Energy: 0.8892559226083787
Energy: 0.861356315179504
Energy: 0.8642439889785121
Energy: 0.861356315179504
Energy: 0.8892559226083787
Energy: 0.861356315179504
Energy: 0.8884065004566369
Energy: 0.9051057282319077
Energy: 0.8632980129847758
Energy: 0.9051057282319077
Energy: 0.8884065004566369
Energy: 0.9051057282319077
Energy: 1.6037143490882453
Energy: 0.8616139669665674
Energy: 0.8635606603056855
Energy: 0.8616139669665674
Energy: 1.6037143490882453
Energy: 0.8616139669665674
Energy: 0.887503230321485
Energy: 0.8618340184206756
Energy: 0.8640937544464373
Energy: 0.8618340184206756
Energy: 0.8875032303194014
Energy: 0.8618340184206756
Energy: 1.5083680988085624
Energy: 0.9048407856174957
Energy: 0.8631188716992787
Energy: 0.9048407856174957
Energy: 1.5083680988085624
Energy: 0.9048407856174957
Energy: 0.8891803014421291
Energy: 0.8615866205595011
Energy: 0.8652025640641438
Energy: 0.8615866205595011
Energy: 0.8891803014421291
Energy: 0.8615866205595011
Energy: 1.5151021491058732
Energy: 0.8615659975403913
Energy: 0.8630177746121669
Energy: 0.8615659975403913
Energy: 1.5151021491058732
Energy: 0.8615659975403913
Energy: 0.889331251897992
Energy: 1.094607147713218
Energy: 1.4908083773238952
Energy: 1.0946071477153017
Energy: 0.889331251897992
Energy: 1.0946071477153017
Energy: 1.5152061574946463
Energy: 0.8615793705594267
Energy: 0.8630122710814538
Energy: 0.8615793705594267
Energy: 1.5152061574946463
Energy: 0.8615793705594267
Energy: 0.8891626462409357
Energy: 0.8616463505053188
Energy: 0.8651826807304039
Energy: 0.861646350503235
Energy: 0.8891626462409357
Energy: 0.861646350503235

minimum gb energy = 0.861274906230762 eV
minimum distance =  2.35531486051878 Angstroms
sigma value = 11


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

Energy: 1.515140560576675
Energy: 1.187424538442569
Energy: 1.512282257086767
Energy: 1.187424538442569
Energy: 1.515140560576675
Energy: 1.187424538442569
Energy: 1.12480848529684
Energy: 1.1499380821869924
Energy: 1.1238034363343261
Energy: 1.1499380821869924
Energy: 1.12480848529684
Energy: 1.1499380821869924
Energy: 1.1243295375493085
Energy: 1.2268662244221695
Energy: 1.1239669895724906
Energy: 1.226866224421254
Energy: 1.1243295375493085
Energy: 1.226866224421254
Energy: 1.1496911853192986
Energy: 1.150156552198033
Energy: 1.1236818331692724
Energy: 1.150156552197118
Energy: 1.1496911853192986
Energy: 1.150156552197118
Energy: 1.123928656947038
Energy: 1.2222813979507374
Energy: 1.1497696426382282
Energy: 1.2222813979507374
Energy: 1.1239286569461229
Energy: 1.2222813979507374
Energy: 1.158444296618392
Energy: 1.2114495095003994
Energy: 1.1240456431745232
Energy: 1.2114495095013147
Energy: 1.158444296618392
Energy: 1.2114495095003994
Energy: 1.1498499922619236
Energy: 1.3475614712945112
Energy: 1.1545835421593444
Energy: 1.3475614712954265
Energy: 1.1498499922619236
Energy: 1.3475614712945112
Energy: 1.1253638205296306
Energy: 1.1506033581282558
Energy: 1.1237671812526535
Energy: 1.1506033581282558
Energy: 1.1253638205296306
Energy: 1.1506033581282558
Energy: 1.124975439285695
Energy: 1.235057754581792
Energy: 1.123550378594928
Energy: 1.2350577545808767
Energy: 1.124975439285695
Energy: 1.2350577545808767
Energy: 1.1235879518742824
Energy: 1.1501181611974594
Energy: 1.1501737978647428
Energy: 1.1501181611974594
Energy: 1.1235879518742824
Energy: 1.1501181611974594
Energy: 1.1528716513314787
Energy: 1.1238613103247184
Energy: 1.1556060968439557
Energy: 1.1238613103247184
Energy: 1.1528716513314787
Energy: 1.1238613103247184
Energy: 1.125334417775367
Energy: 1.2120190633011174
Energy: 1.1553733546273444
Energy: 1.2120190632992867
Energy: 1.125334417775367
Energy: 1.2120190633011174
Energy: 1.12399758744468
Energy: 1.1501340320525733
Energy: 1.139316229926518
Energy: 1.1501340320525733
Energy: 1.12399758744468
Energy: 1.1501340320525733
Energy: 1.1508943092070407
Energy: 1.2366308192444793
Energy: 1.1508367404054347
Energy: 1.2366308192444793
Energy: 1.1508943092070407
Energy: 1.2366308192444793
Energy: 1.1236426018322574
Energy: 1.4664652615590177
Energy: 1.1260651816532412
Energy: 1.4664652615590177
Energy: 1.1236426018322574
Energy: 1.4664652615590177
Energy: 1.152664885259836
Energy: 1.1281642076137495
Energy: 1.1544831972430423
Energy: 1.1281642076119187
Energy: 1.1526648852589207
Energy: 1.1281642076137495
Energy: 1.1546298344190506
Energy: 1.3473463549025675
Energy: 1.1244853999992466
Energy: 1.3473463548156521
Energy: 1.1546298344190506
Energy: 1.3473463552694498
Energy: 1.1242183724168446
Energy: 1.4676921132300231
Energy: 1.123490357897715
Energy: 1.4676921132300231
Energy: 1.1242183724168446
Energy: 1.4676921132300231
Energy: 1.1500507386004324
Energy: 1.1502740943420213
Energy: 1.150142930456676
Energy: 1.1502740943420213
Energy: 1.1500507386004324
Energy: 1.1502740943420213
Energy: 1.1236707864691204
Energy: 1.1503052092910901
Energy: 1.126466381752842
Energy: 1.1503052092910901
Energy: 1.1236707864691204
Energy: 1.1503052092910901
Energy: 1.1550626727688929
Energy: 1.212614655971489
Energy: 1.1244285243532866
Energy: 1.212614655971489
Energy: 1.1550626727688929
Energy: 1.212614655971489
Energy: 1.1556359644610923
Energy: 1.124209465495683
Energy: 1.1508245169371434
Energy: 1.1242094654938521
Energy: 1.1556359644610923
Energy: 1.124209465495683
Energy: 1.1519071127913934
Energy: 1.1502105419826167
Energy: 1.1595380368962975
Energy: 1.1502105419826167
Energy: 1.1519071127913934
Energy: 1.1502105419826167
Energy: 1.1235633900236806
Energy: 1.234675563935577
Energy: 1.1244076155950133
Energy: 1.234675563935577
Energy: 1.1235633900236806
Energy: 1.234675563935577
Energy: 1.126725769211135
Energy: 1.1522574270756167
Energy: 1.1241964274031848
Energy: 1.1522574270747017
Energy: 1.126725769211135
Energy: 1.1522574270756167
Energy: 1.1548036038152505
Energy: 1.3494795126756396
Energy: 1.1497702467110205
Energy: 1.3494795126756396
Energy: 1.1548036038152505
Energy: 1.3494795126756396
Energy: 1.1242175885268948
Energy: 1.2125580236285964
Energy: 1.1240012040387057
Energy: 1.2125580236295117
Energy: 1.1242175885278103
Energy: 1.2125580236285964
Energy: 1.149826196242437
Energy: 1.34995928960843
Energy: 1.1584112914908578
Energy: 1.34995928960843
Energy: 1.149826196242437
Energy: 1.34995928960843
Energy: 1.1242180176362344
Energy: 1.1509672177656058
Energy: 1.1497912416143203
Energy: 1.1509672177656058
Energy: 1.1242180176371497
Energy: 1.1509672177656058
Energy: 1.1237528426782244
Energy: 1.1508957688900594
Energy: 1.125568949048075
Energy: 1.1508957688909747
Energy: 1.1237528426782244
Energy: 1.1508957688909747
Energy: 1.1235848473607224
Energy: 1.1528576610407641
Energy: 1.1259028446394836
Energy: 1.1528576610416792
Energy: 1.1235848473607224
Energy: 1.1528576610407641

minimum gb energy = 1.123490357897715 eV
minimum distance =  2.23981999792829 Angstroms
sigma value = 57


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

Energy: 1.2632562402894252
Energy: 1.2677204135658302
Energy: 1.4325012320007942
Energy: 1.2677204135658302
Energy: 1.2632562402894252
Energy: 1.2677204135658302
Energy: 1.209712549624499
Energy: 1.2095389084115855
Energy: 1.2084770779369043
Energy: 1.2095389084115855
Energy: 1.209712549624499
Energy: 1.2095389084115855
Energy: 1.20904037220258
Energy: 1.3308712518872596
Energy: 1.2085301882853794
Energy: 1.3308712518872596
Energy: 1.20904037220258
Energy: 1.3308712518872596
Energy: 1.2087667689547992
Energy: 1.668552845926144
Energy: 1.2087750501172505
Energy: 1.668552845926144
Energy: 1.2087667689547992
Energy: 1.668552845926144
Energy: 1.2085329020796625
Energy: 1.3308446099770723
Energy: 1.2090515645174695
Energy: 1.3308446099754436
Energy: 1.2085329020796625
Energy: 1.3308446099754436
Energy: 1.2084436949980712
Energy: 1.2096353187695832
Energy: 1.2097279776878194
Energy: 1.2096353187695832
Energy: 1.2084436949980712
Energy: 1.2096353187695832
Energy: 1.3641508243075735
Energy: 1.2677204135658302
Energy: 1.2632562402877965
Energy: 1.2677204135658302
Energy: 1.3641508243075735
Energy: 1.2677204135658302
Energy: 1.2084770779369043
Energy: 1.2095389084132144
Energy: 1.209712549624499
Energy: 1.2095389084115855
Energy: 1.2084770779369043
Energy: 1.2095389084115855
Energy: 1.2085301882853794
Energy: 1.3308712518872596
Energy: 1.20904037220258
Energy: 1.3308712518888883
Energy: 1.2085301882853794
Energy: 1.3308712518872596
Energy: 1.2087750501172505
Energy: 1.3632112923590172
Energy: 1.2087667689547992
Energy: 1.3632112923590172
Energy: 1.2087750501172505
Energy: 1.3632112923606459
Energy: 1.2090515645174695
Energy: 1.3308446099754436
Energy: 1.2085329020796625
Energy: 1.3308446099754436
Energy: 1.2090515645174695
Energy: 1.3308446099754436
Energy: 1.2097279776878194
Energy: 1.2096353187695832
Energy: 1.2084436949980712
Energy: 1.2096353187695832
Energy: 1.2097279776878194
Energy: 1.2096353187695832
Energy: 1.2632562402894252
Energy: 1.2677204135658302
Energy: 1.3641508243092022
Energy: 1.2677204135658302
Energy: 1.2632562402894252
Energy: 1.2677204135658302
Energy: 1.209712549624499
Energy: 1.2095389084115855
Energy: 1.2084770779369043
Energy: 1.2095389084115855
Energy: 1.2097125496261276
Energy: 1.2095389084132144
Energy: 1.2090403722042087
Energy: 1.3308712518872596
Energy: 1.2085301882853794
Energy: 1.3308712518872596
Energy: 1.2090403722042087
Energy: 1.3308712518872596
Energy: 1.2087667689547992
Energy: 1.2841612839623342
Energy: 1.2087750501172505
Energy: 1.2841612839623342
Energy: 1.2087667689547992
Energy: 1.3632112923606459
Energy: 1.2085329020812914
Energy: 1.3308446099754436
Energy: 1.2090515645174695
Energy: 1.3308446099770723
Energy: 1.2085329020812914
Energy: 1.3308446099770723

minimum gb energy = 1.2084436949980712 eV
minimum distance =  2.25876579331523 Angstroms
sigma value = 9


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

Energy: 1.3152750822730643
Energy: 1.3058875528922431
Energy: 1.4786307043316407
Energy: 1.3058875528922431
Energy: 1.3152750822730643
Energy: 1.3058875528922431
Energy: 1.2779263008313675
Energy: 1.349960242454415
Energy: 1.3039969778962635
Energy: 1.349960242454415
Energy: 1.2779263008313675
Energy: 1.349960242454415
Energy: 1.31651726589333
Energy: 1.3167017122539575
Energy: 1.3065296923968654
Energy: 1.3167017122539575
Energy: 1.31651726589333
Energy: 1.3167017122539575
Energy: 1.31638022298513
Energy: 1.3175340220393468
Energy: 1.2836953865481548
Energy: 1.3175340220406766
Energy: 1.31638022298513
Energy: 1.3175340220406766
Energy: 1.277701263742131
Energy: 1.4184568186938495
Energy: 1.306964697930259
Energy: 1.4184568186925197
Energy: 1.2777012637434608
Energy: 1.4184568186925197
Energy: 1.3164160478202487
Energy: 1.317642533113794
Energy: 1.3312016315021196
Energy: 1.3176425331151238
Energy: 1.3164160478202487
Energy: 1.3176425331151238
Energy: 1.3175598338540662
Energy: 1.483231048959732
Energy: 1.306600542442896
Energy: 1.483231048959732
Energy: 1.3175598338540662
Energy: 1.483231048959732
Energy: 1.2943180262695806
Energy: 1.3482119785731552
Energy: 1.303872727387411
Energy: 1.3482119785731552
Energy: 1.2943180262695806
Energy: 1.3482119785731552
Energy: 1.2917244875051812
Energy: 1.3508673475359902
Energy: 1.2841719656825321
Energy: 1.3508673475359902
Energy: 1.2917244875051812
Energy: 1.3508673475359902
Energy: 1.3523240522833604
Energy: 1.5718750142382723
Energy: 1.3041724542982154
Energy: 1.571875014239602
Energy: 1.3523240522833604
Energy: 1.571875014239602
Energy: 1.3183838786239983
Energy: 1.3639749364800982
Energy: 1.3013031421090229
Energy: 1.3639749364800982
Energy: 1.3183838786239983
Energy: 1.3639749364800982
Energy: 1.3156655962010395
Energy: 1.317884056034066
Energy: 1.2967181205682272
Energy: 1.3178840560327363
Energy: 1.3156655962010395
Energy: 1.317884056034066
Energy: 1.3181103072642766
Energy: 1.31718179029089
Energy: 1.312888116559219
Energy: 1.3171817902922198
Energy: 1.3181103072642766
Energy: 1.31718179029089
Energy: 1.3158768399579288
Energy: 1.3167817065748597
Energy: 1.2836073477804055
Energy: 1.3167817065761898
Energy: 1.3158768399579288
Energy: 1.3167817065761898
Energy: 1.3474536489874436
Energy: 1.4634418903323936
Energy: 1.3222635785561156
Energy: 1.4634418903323936
Energy: 1.3474536489887734
Energy: 1.4634418903323936
Energy: 1.2916450559139583
Energy: 1.3499425184562006
Energy: 1.2835492190449223
Energy: 1.3499425184562006
Energy: 1.2916450559139583
Energy: 1.3499425184562006
Energy: 1.2918751358554321
Energy: 1.3481694645668414
Energy: 1.2938819962164398
Energy: 1.3481694645668414
Energy: 1.2918751358554321
Energy: 1.3481694645668414
Energy: 1.3688753452424436
Energy: 1.4627872329676592
Energy: 1.3042315802830708
Energy: 1.4627872329676592
Energy: 1.3688753452424436
Energy: 1.4627872329663294
Energy: 1.3188872962065552
Energy: 1.3179337279315881
Energy: 1.2735028786900828
Energy: 1.3179337279315881
Energy: 1.3188872962065552
Energy: 1.317933727932918
Energy: 1.3158126184662866
Energy: 1.4666915711205126
Energy: 1.3044795227093566
Energy: 1.4666915711205126
Energy: 1.3158126184662866
Energy: 1.4666915711205126
Energy: 1.3185312686139106
Energy: 1.3195287284349557
Energy: 1.2937283369926114
Energy: 1.3195287284349557
Energy: 1.3185312686139106
Energy: 1.3195287284349557

minimum gb energy = 1.2735028786900828 eV
minimum distance =  2.25137878599025 Angstroms
sigma value = 27


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

Energy: 1.4262265749335565
Energy: 1.2820803785170722
Energy: 1.4526045986165246
Energy: 1.2820803785170722
Energy: 1.4262265749335565
Energy: 1.2820803785159511
Energy: 1.2672421748434322
Energy: 1.265659861061332
Energy: 1.2668769771864983
Energy: 1.265659861061332
Energy: 1.2672421748434322
Energy: 1.265659861061332
Energy: 1.2797143696158868
Energy: 1.2852005752782363
Energy: 1.2673630572941785
Energy: 1.2852005752771154
Energy: 1.2797143696158868
Energy: 1.2852005752782363
Energy: 1.2689953724821517
Energy: 1.4385448258477076
Energy: 1.3068007862225821
Energy: 1.4385448258477076
Energy: 1.2689953724810306
Energy: 1.4385448258477076
Energy: 1.2677768790420467
Energy: 1.512634159558434
Energy: 1.26677650804551
Energy: 1.512634159558434
Energy: 1.2677768790420467
Energy: 1.512634159558434
Energy: 1.2830147976678823
Energy: 1.28002997057547
Energy: 1.2814633832171096
Energy: 1.28002997057547
Energy: 1.2830147976678823
Energy: 1.2800299705765912
Energy: 1.268921283562247
Energy: 1.4468477442157384
Energy: 1.2667514825506505
Energy: 1.4468477442146175
Energy: 1.268921283562247
Energy: 1.4468477442146175
Energy: 1.2663088371833102
Energy: 1.3849367758045108
Energy: 1.2664631233941588
Energy: 1.3849367758045108
Energy: 1.2663088371833102
Energy: 1.3849367758045108
Energy: 1.3730161409139943
Energy: 1.4310061576905113
Energy: 1.3456965299533188
Energy: 1.4310061576916322
Energy: 1.3730161409139943
Energy: 1.4310061576916322
Energy: 1.2661845040286892
Energy: 1.2683070191552621
Energy: 1.3147976521605498
Energy: 1.2683070191552621
Energy: 1.2661845040286892
Energy: 1.2683070191552621
Energy: 1.2661624847479314
Energy: 1.267174283617267
Energy: 1.3145681200497923
Energy: 1.267174283617267
Energy: 1.2661624847479314
Energy: 1.267174283617267
Energy: 1.3730325582968408
Energy: 1.4310048563205704
Energy: 1.345693089241421
Energy: 1.4310048563205704
Energy: 1.3730325582968408
Energy: 1.4310048563205704
Energy: 1.266249901272464
Energy: 1.385080058338028
Energy: 1.2664157890698824
Energy: 1.385080058338028
Energy: 1.266249901272464
Energy: 1.385080058338028
Energy: 1.2689560809508438
Energy: 1.4466643849480303
Energy: 1.2667256045681807
Energy: 1.4466643849480303
Energy: 1.2689560809519649
Energy: 1.4466643849480303
Energy: 1.2830276308946027
Energy: 1.2847731504366378
Energy: 1.2812357770714564
Energy: 1.2847731504366378
Energy: 1.2830276308946027
Energy: 1.2847731504366378
Energy: 1.2677857384414346
Energy: 1.512634159558434
Energy: 1.267134181475658
Energy: 1.512634159558434
Energy: 1.2677857384414346
Energy: 1.512634159558434
Energy: 1.2689644328786551
Energy: 1.4385518144714728
Energy: 1.280057969163139
Energy: 1.4385518144714728
Energy: 1.2689644328797762
Energy: 1.4385518144714728
Energy: 1.2796980254029022
Energy: 1.284580676145611
Energy: 1.2674897354200274
Energy: 1.284580676145611
Energy: 1.2796980254029022
Energy: 1.284580676145611
Energy: 1.2676412193787627
Energy: 1.2654734805293906
Energy: 1.267066319948599
Energy: 1.2654734805293906
Energy: 1.2676412193787627
Energy: 1.2654734805293906
Energy: 1.4262265749335565
Energy: 1.2820803785170722
Energy: 1.416993637140824
Energy: 1.2820803785170722
Energy: 1.4262265749335565
Energy: 1.2820803785159511
Energy: 1.2672421748434322
Energy: 1.265659861061332
Energy: 1.2668769771876196
Energy: 1.265659861061332
Energy: 1.2672421748434322
Energy: 1.265659861061332
Energy: 1.2797143696158868
Energy: 1.2852005752782363
Energy: 1.2673630572941785
Energy: 1.2852005752782363
Energy: 1.2797143696158868
Energy: 1.2852005752782363
Energy: 1.2689953724821517
Energy: 1.4385448258477076
Energy: 1.3136511264733515
Energy: 1.4385448258477076
Energy: 1.2689953724821517
Energy: 1.4385448258477076
Energy: 1.2677768790420467
Energy: 1.512634159558434
Energy: 1.26677650804551
Energy: 1.512634159558434
Energy: 1.2677768790420467
Energy: 1.512634159558434
Energy: 1.2830147976678823
Energy: 1.28002997057547
Energy: 1.2814633832171096
Energy: 1.2800299705765912
Energy: 1.2830147976678823
Energy: 1.28002997057547

minimum gb energy = 1.2654734805293906 eV
minimum distance =  2.28171727478597 Angstroms
sigma value = 19


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

Energy: 1.443078031887805
Energy: 1.2661444588179542
Energy: 1.3323922879151096
Energy: 1.2661444588189217
Energy: 1.443078031887805
Energy: 1.2661444588189217
Energy: 1.2764824325735402
Energy: 1.2610348245527472
Energy: 1.2572906845187182
Energy: 1.2610348245527472
Energy: 1.2764824325735402
Energy: 1.2610348245527472
Energy: 1.247815424259735
Energy: 1.2723217505637026
Energy: 1.2572073634365748
Energy: 1.2723217505637026
Energy: 1.247815424259735
Energy: 1.2723217505627349
Energy: 1.2773857569731955
Energy: 1.3345435084832171
Energy: 1.2831246231713038
Energy: 1.3345435084841848
Energy: 1.2773857569741631
Energy: 1.3345435084841848
Energy: 1.258911577689412
Energy: 1.3784616041298268
Energy: 1.2750318288361873
Energy: 1.3784616041298268
Energy: 1.258911577689412
Energy: 1.378461604128859
Energy: 1.2630572986681396
Energy: 1.4079901941222348
Energy: 1.274945931974643
Energy: 1.4079901941222348
Energy: 1.263057298669107
Energy: 1.4079901941222348
Energy: 1.2516938895332728
Energy: 1.4411649194410459
Energy: 1.2747175297357143
Energy: 1.4411649194410459
Energy: 1.2516938895342404
Energy: 1.4411649194410459
Energy: 1.2625121801806072
Energy: 1.4083038598175202
Energy: 1.2749186295700419
Energy: 1.4083038598184878
Energy: 1.2625121801815749
Energy: 1.4083038598184878
Energy: 1.2720005019533631
Energy: 1.2603373177248496
Energy: 1.2945387948341776
Energy: 1.2603373177238821
Energy: 1.2720005019533631
Energy: 1.2603373177238821
Energy: 1.2722472101646347
Energy: 1.3462728843173621
Energy: 1.2455900930224453
Energy: 1.3462728843173621
Energy: 1.2722472101646347
Energy: 1.3462728843173621
Energy: 1.2626454005560859
Energy: 1.2589909457710409
Energy: 1.256917806014628
Energy: 1.2589909457710409
Energy: 1.2626454005560859
Energy: 1.2589909457710409
Energy: 1.2665440063129465
Energy: 1.2260864049574638
Energy: 1.2461017821709741
Energy: 1.2260864049564963
Energy: 1.2665440063129465
Energy: 1.2260864049574638
Energy: 1.266351169236616
Energy: 1.2261981418476666
Energy: 1.2456557067202896
Energy: 1.2261981418476666
Energy: 1.266351169236616
Energy: 1.2261981418476666
Energy: 1.2599941917966
Energy: 1.2831194973732356
Energy: 1.3318039627523177
Energy: 1.2831194973732356
Energy: 1.2599941917966
Energy: 1.2831194973742033
Energy: 1.2794459566075929
Energy: 1.3333790288111285
Energy: 1.2458476484830978
Energy: 1.3333790288120964
Energy: 1.2794459566075929
Energy: 1.3333790288120964
Energy: 1.2806198239242932
Energy: 1.346613452749699
Energy: 1.227973012088757
Energy: 1.346613452749699
Energy: 1.2806198239242932
Energy: 1.346613452749699
Energy: 1.247820413417095
Energy: 1.4082946709332727
Energy: 1.2494051983369665
Energy: 1.4082946709332727
Energy: 1.247820413417095
Energy: 1.4082946709332727
Energy: 1.2717872662151235
Energy: 1.292482209161447
Energy: 1.2261081875002624
Energy: 1.292482209161447
Energy: 1.2717872662151235
Energy: 1.292482209161447
Energy: 1.247786280158202
Energy: 1.4083771852208413
Energy: 1.2493942420445525
Energy: 1.4083771852208413
Energy: 1.247786280158202
Energy: 1.4083771852208413
Energy: 1.2805670728146044
Energy: 1.3352886944526021
Energy: 1.2407816297848504
Energy: 1.3352886944526021
Energy: 1.2805670728146044
Energy: 1.3352886944526021
Energy: 1.2793881189828689
Energy: 1.3357269005668573
Energy: 1.2458900187343513
Energy: 1.3357269005668573
Energy: 1.2793881189828689
Energy: 1.335726900567825
Energy: 1.2620882424538433
Energy: 1.2594979012044591
Energy: 1.3315416020899278
Energy: 1.259497901205427
Energy: 1.2620882424538433
Energy: 1.259497901205427
Energy: 1.2997991240803421
Energy: 1.2577629688572594
Energy: 1.2457677863674326
Energy: 1.2577629688572594
Energy: 1.2997991240803421
Energy: 1.2577629688572594
Energy: 1.3096329479039823
Energy: 1.2496651156675733
Energy: 1.2465407617328965
Energy: 1.2496651156666054
Energy: 1.3096329479039823
Energy: 1.2496651156675733
Energy: 1.2880255040204351
Energy: 1.2591313978431256
Energy: 1.2570341083328256
Energy: 1.259131397844093
Energy: 1.2880255040204351
Energy: 1.2591313978431256
Energy: 1.2794597026382055
Energy: 1.2529672443073725
Energy: 1.2457080242442815
Energy: 1.2529672443073725
Energy: 1.2794597026382055
Energy: 1.2529672443073725
Energy: 1.272255650191648
Energy: 1.3350080052983169
Energy: 1.2935204252010055
Energy: 1.335008005297349
Energy: 1.272255650191648
Energy: 1.335008005297349
Energy: 1.262556340022013
Energy: 1.4081906969538438
Energy: 1.274856916704991
Energy: 1.4081906969538438
Energy: 1.262556340022013
Energy: 1.4081906969538438
Energy: 1.251864512614887
Energy: 1.445616696233938
Energy: 1.2747490104629025
Energy: 1.445616696233938
Energy: 1.2518645126139196
Energy: 1.445616696233938

minimum gb energy = 1.2260864049564963 eV
minimum distance =  2.24000869656721 Angstroms
sigma value = 101


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

Energy: 1.3743824647093554
Energy: 1.2833283975703649
Energy: 1.3707295023565287
Energy: 1.2833283975703649
Energy: 1.3743824647085048
Energy: 1.2833283975703649
Energy: 1.2187787790503801
Energy: 1.206577301305712
Energy: 1.218600196348955
Energy: 1.206577301305712
Energy: 1.2187787790503801
Energy: 1.206577301305712
Energy: 1.2062682146545851
Energy: 1.1934515579634093
Energy: 1.2190717613653597
Energy: 1.1934515579634093
Energy: 1.2062682146545851
Energy: 1.1934515579634093
Energy: 1.229192636865216
Energy: 1.206468346547987
Energy: 1.2269075475988187
Energy: 1.206468346547987
Energy: 1.229192636865216
Energy: 1.206468346547987
Energy: 1.1934808761609157
Energy: 1.2910207323063787
Energy: 1.2064549542020706
Energy: 1.2910207323063787
Energy: 1.1934808761609157
Energy: 1.2910207323063787
Energy: 1.2082810731470095
Energy: 1.384986354289911
Energy: 1.1941010231137894
Energy: 1.3849863542890604
Energy: 1.2082810731470095
Energy: 1.3849863542890604
Energy: 1.2064931334887516
Energy: 1.4288319316482825
Energy: 1.1932688332760446
Energy: 1.4288319316482825
Energy: 1.2064931334887516
Energy: 1.4288319316482825
Energy: 1.2055457360114745
Energy: 1.4287193317489617
Energy: 1.206256528610716
Energy: 1.428719331748111
Energy: 1.2055457360114745
Energy: 1.428719331748111
Energy: 1.1932762403747341
Energy: 1.384531626833601
Energy: 1.206589639950075
Energy: 1.384531626833601
Energy: 1.1932762403747341
Energy: 1.384531626833601
Energy: 1.1926470958360387
Energy: 1.325014729951125
Energy: 1.1944678236093778
Energy: 1.325014729951125
Energy: 1.192647095835188
Energy: 1.325014729951125
Energy: 1.2565721908617626
Energy: 1.3720638132834053
Energy: 1.2759313280152558
Energy: 1.3720638132834053
Energy: 1.2565721908617626
Energy: 1.3720638132834053
Energy: 1.2185982525775587
Energy: 1.1933057997291852
Energy: 1.1940075277616171
Energy: 1.1933057997291852
Energy: 1.2185982525775587
Energy: 1.1933057997291852
Energy: 1.218996822568791
Energy: 1.1939626351687622
Energy: 1.2124684015253797
Energy: 1.1939626351696129
Energy: 1.218996822568791
Energy: 1.1939626351696129
Energy: 1.2249845503385415
Energy: 1.2131551557850697
Energy: 1.2190421252340047
Energy: 1.2131551557842193
Energy: 1.2249845503385415
Energy: 1.2131551557850697
Energy: 1.1926856855717565
Energy: 1.2946548565117426
Energy: 1.2183619809431276
Energy: 1.294654856512593
Energy: 1.192685685572607
Energy: 1.294654856512593
Energy: 1.2518686073482463
Energy: 1.1936587317973648
Energy: 1.2078162367516767
Energy: 1.1936587317973648
Energy: 1.2518686073482463
Energy: 1.1936587317973648
Energy: 1.1933159224806849
Energy: 1.2215134974877402
Energy: 1.1932074838589377
Energy: 1.2215134974877402
Energy: 1.1933159224806849
Energy: 1.2215134974877402
Energy: 1.2075241978335791
Energy: 1.2214145029629422
Energy: 1.1927633951214076
Energy: 1.2214145029629422
Energy: 1.2075241978327285
Energy: 1.2214145029629422
Energy: 1.2068718244164918
Energy: 1.380218949864282
Energy: 1.2057142031205297
Energy: 1.380218949864282
Energy: 1.2068718244164918
Energy: 1.380218949864282
Energy: 1.193058298544102
Energy: 1.2589231774016805
Energy: 1.1926003526331517
Energy: 1.2589231774016805
Energy: 1.193058298544102
Energy: 1.2589231774016805
Energy: 1.2210935861839114
Energy: 1.2243346678095128
Energy: 1.2061064562543113
Energy: 1.2243346678103635
Energy: 1.2210935861839114
Energy: 1.2243346678095128
Energy: 1.1940373109090034
Energy: 1.3805287075937465
Energy: 1.1926778972730079
Energy: 1.3805287075937465
Energy: 1.1940373109090034
Energy: 1.3805287075937465
Energy: 1.2028062108299282
Energy: 1.3793427170263495
Energy: 1.1934308687636206
Energy: 1.3793427170254988
Energy: 1.2028062108299282
Energy: 1.3793427170254988
Energy: 1.2290075547722792
Energy: 1.2061843626121658
Energy: 1.2591574823748028
Energy: 1.2061843626121658
Energy: 1.2290075547722792
Energy: 1.2061843626130164
Energy: 1.1933616867789447
Energy: 1.2866902840990164
Energy: 1.1928075841173245
Energy: 1.286690284098166
Energy: 1.1933616867789447
Energy: 1.286690284098166
Energy: 1.2123249307482484
Energy: 1.21352401600052
Energy: 1.2519847710365573
Energy: 1.21352401600052
Energy: 1.212324930747398
Energy: 1.21352401600052
Energy: 1.218775903428632
Energy: 1.1932270324004826
Energy: 1.1929548607374278
Energy: 1.1932270324004826
Energy: 1.218775903428632
Energy: 1.1932270324004826
Energy: 1.2183927136194952
Energy: 1.1931593182706193
Energy: 1.1949241554163352
Energy: 1.1931593182706193
Energy: 1.2183927136194952
Energy: 1.1931593182706193
Energy: 1.2646659983585413
Energy: 1.1947791699078225
Energy: 1.2998680267338483
Energy: 1.1947791699086734
Energy: 1.2646659983585413
Energy: 1.1947791699086734
Energy: 1.192688607072738
Energy: 1.1981215739167834
Energy: 1.1952408227823106
Energy: 1.1981215739167834
Energy: 1.192688607072738
Energy: 1.198121573917634
Energy: 1.193126388016527
Energy: 1.2214765902569125
Energy: 1.2057091154479433
Energy: 1.221476590256062
Energy: 1.1931263880156764
Energy: 1.221476590256062
Energy: 1.2123643096783898
Energy: 1.381311880040701
Energy: 1.194248224072563
Energy: 1.381311880040701
Energy: 1.2123643096783898
Energy: 1.381311880040701
Energy: 1.1932229353090855
Energy: 1.2568825770165706
Energy: 1.2028821299153059
Energy: 1.2568825770165706
Energy: 1.1932229353090855
Energy: 1.25688257701572

minimum gb energy = 1.1926003526331517 eV
minimum distance =  2.26454016555676 Angstroms
sigma value = 33


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

Energy: 0.014951354400183046
Energy: 0.015908711718156672
Energy: 1.3276895328267622
Energy: 0.015908711718156672
Energy: 0.014951354400183046
Energy: 0.015908711718156672
Energy: 0.015218775288957211
Energy: 0.6808579048309136
Energy: 0.015218775288957211
Energy: 0.6808579048309136
Energy: 0.015218775288957211
Energy: 0.6808579048309136
Energy: 1.3276895328274692
Energy: 0.0159087117174499
Energy: 0.014951354400183046
Energy: 0.0159087117174499
Energy: 1.3276895328267622
Energy: 0.015908711718156672
Energy: 0.015218775288957211
Energy: 0.6808579048309136
Energy: 0.015218775288957211
Energy: 0.6808579048309136
Energy: 0.015218775288957211
Energy: 0.6808579048309136

minimum gb energy = 0.014951354400183046 eV
minimum distance =  2.4574395924462 Angstroms
sigma value = 1