Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.523999392986298
cohesive_energy=4.440349230729681
mass=58.6934
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: 0.01807828772076249
Energy: 1.0699589933822642
Energy: 0.01807828772076249
Energy: 1.069958993381934
Energy: 0.01807828772076249
Energy: 1.0699589933825941
Energy: 1.0699589933822642
Energy: 0.5726479103379165
Energy: 1.069958993381934
Energy: 0.5726479103372565
Energy: 1.0699589933822642
Energy: 0.5726479103363031
Energy: 0.01807828772076249
Energy: 1.0699589933822642
Energy: 0.01807828772076249
Energy: 1.0699589933822642
Energy: 0.01807828772076249
Energy: 1.0699589933825941
Energy: 1.069958993381934
Energy: 0.572647910336963
Energy: 1.069958993381934
Energy: 0.5726479103366331
Energy: 1.069958993381934
Energy: 0.5726479103382465
Energy: 0.01807828772076249
Energy: 1.0699589933822642
Energy: 0.01807828772076249
Energy: 1.069958993381934
Energy: 0.01807828772076249
Energy: 1.0699589933822642
Energy: 1.0699589933822642
Energy: 0.572647910336963
Energy: 1.0699589933822642
Energy: 0.572647910336963
Energy: 1.0699589933822642
Energy: 0.5726479103385765

minimum gb energy = 0.01807828772076249 eV
minimum distance =  2.45787893388995 Angstroms
sigma value = 1


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

Energy: 1.3094405053108884
Energy: 1.2535497962814124
Energy: 1.3094405053116827
Energy: 1.2535497962798234
Energy: 1.3094405053108884
Energy: 1.253549796280618
Energy: 1.4161961017425462
Energy: 1.1665059846719545
Energy: 1.4161961017425462
Energy: 1.1665059846719545
Energy: 1.416196101741752
Energy: 1.1665059846719545
Energy: 1.2970195853905995
Energy: 1.27903235613308
Energy: 1.2970195853905995
Energy: 1.27903235613308
Energy: 1.2970195853898052
Energy: 1.2790323561322858
Energy: 1.3305544930072573
Energy: 1.2152697459244812
Energy: 1.3305544930080515
Energy: 1.2152697459244812
Energy: 1.3305544930064628
Energy: 1.2152697459244812
Energy: 1.2501123757677042
Energy: 1.3130174017509442
Energy: 1.2501123757684987
Energy: 1.3130174017517386
Energy: 1.2501123757677042
Energy: 1.3130174017509442
Energy: 1.3159049235164302
Energy: 1.178094557243161
Energy: 1.3159049235164302
Energy: 1.1780945572439552
Energy: 1.3159049235164302
Energy: 1.178094557243161
Energy: 1.208732084185749
Energy: 1.281064128633136
Energy: 1.208732084185749
Energy: 1.2810641286339304
Energy: 1.2087320841865434
Energy: 1.281064128633136
Energy: 1.2118009111819095
Energy: 1.3800146708602383
Energy: 1.2118009111827037
Energy: 1.3800146708610326
Energy: 1.2118009111819095
Energy: 1.3800146708602383
Energy: 1.3518550602000448
Energy: 1.291369235550835
Energy: 1.3518550602000448
Energy: 1.2913692355516295
Energy: 1.3518550602000448
Energy: 1.291369235550835
Energy: 1.14412156853746
Energy: 1.3598210196920228
Energy: 1.14412156853746
Energy: 1.3598210196928169
Energy: 1.14412156853746
Energy: 1.3598210196920228
Energy: 1.3230719186312137
Energy: 1.1770593555518132
Energy: 1.3230719186312137
Energy: 1.1770593555510187
Energy: 1.3230719186312137
Energy: 1.1770593555510187
Energy: 1.135667090977155
Energy: 1.231264400273085
Energy: 1.135667090977155
Energy: 1.2312644002770567
Energy: 1.135667090977155
Energy: 1.2312644002699076
Energy: 1.443226597091704
Energy: 1.1291249880839582
Energy: 1.443226597091704
Energy: 1.1291249880839582
Energy: 1.4432265970909093
Energy: 1.1291249880847527
Energy: 1.199663642306551
Energy: 1.2482706237993288
Energy: 1.199663642304962
Energy: 1.2482706237985346
Energy: 1.1996636423057565
Energy: 1.2482706237993288
Energy: 1.453965979942637
Energy: 1.1607165104701374
Energy: 1.453965979942637
Energy: 1.1607165104693429
Energy: 1.4539659799434315
Energy: 1.1607165104701374
Energy: 1.456324354259103
Energy: 1.3132696503103911
Energy: 1.4563243542598971
Energy: 1.3132696503103911
Energy: 1.456324354259103
Energy: 1.3132696503103911
Energy: 1.2660568859277992
Energy: 1.2715811442524294
Energy: 1.2660568859277992
Energy: 1.2715811442524294
Energy: 1.2660568859277992
Energy: 1.2715811442524294
Energy: 1.265649025906867
Energy: 1.2315071396940183
Energy: 1.265649025906867
Energy: 1.2315071396948127
Energy: 1.265649025906867
Energy: 1.2315071396956072
Energy: 1.2594253179349801
Energy: 1.2148688523931288
Energy: 1.2594253179349801
Energy: 1.2148688523931288
Energy: 1.2594253179357746
Energy: 1.214868852393923
Energy: 1.2962666547450798
Energy: 1.1778582932946802
Energy: 1.2962666547450798
Energy: 1.1778582932930914
Energy: 1.296266654745874
Energy: 1.1778582932938857
Energy: 1.1808568543320312
Energy: 1.404549533516705
Energy: 1.180856854331237
Energy: 1.4045495335174993
Energy: 1.1808568543320312
Energy: 1.404549533516705
Energy: 1.3299515167239138
Energy: 1.283982498084506
Energy: 1.329951516724708
Energy: 1.2839824980837116
Energy: 1.3299515167239138
Energy: 1.283982498084506
Energy: 1.1456029786660697
Energy: 1.4081961142624657
Energy: 1.1456029786660697
Energy: 1.40819611426326
Energy: 1.1456029786660697
Energy: 1.40819611426326

minimum gb energy = 1.1291249880839582 eV
minimum distance =  2.24964015495462 Angstroms
sigma value = 33


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

Energy: 1.398506254234162
Energy: 1.3924260037986387
Energy: 1.2929566204581313
Energy: 1.3924260037990905
Energy: 1.3985062542346138
Energy: 1.3924260037990905
Energy: 1.4224479529983338
Energy: 1.2192241617943487
Energy: 1.4224479529987857
Energy: 1.2192241617943487
Energy: 1.4224479529983338
Energy: 1.2192241617938966
Energy: 1.1995554713478565
Energy: 1.1470054151625375
Energy: 1.1995554713474046
Energy: 1.147005415163441
Energy: 1.1995554713474046
Energy: 1.1470054151629894
Energy: 1.4897167694708495
Energy: 1.3523406343148012
Energy: 1.4897167694708495
Energy: 1.3523406343148012
Energy: 1.4897167694703977
Energy: 1.352340634315253
Energy: 1.304984334240149
Energy: 1.2924032938534298
Energy: 1.304984334240149
Energy: 1.2924032938520744
Energy: 1.304984334240601
Energy: 1.2924032938516226
Energy: 1.2249727608315069
Energy: 1.1994622995836566
Energy: 1.2249727608315069
Energy: 1.199406697000622
Energy: 1.2249727608319585
Energy: 1.1994622995836566
Energy: 1.3916778197682858
Energy: 1.3461191732347488
Energy: 1.3916778197678341
Energy: 1.2931607101298281
Energy: 1.3916778197678341
Energy: 1.3461191732352007
Energy: 1.1176945223816381
Energy: 1.2266045431766412
Energy: 1.1176945223816381
Energy: 1.2266045431743822
Energy: 1.1176945223816381
Energy: 1.2266045431748338
Energy: 1.1979852720116908
Energy: 1.2033073378525954
Energy: 1.197985272011239
Energy: 1.2033073378525954
Energy: 1.1979852720116908
Energy: 1.2033073378525954
Energy: 1.1806588067535781
Energy: 1.3166022004812152
Energy: 1.1806620629226772
Energy: 1.3166022004812152
Energy: 1.1806588067535781
Energy: 1.3166022004812152
Energy: 1.2106611392249718
Energy: 1.183697075515668
Energy: 1.2106611392254236
Energy: 1.183697075515216
Energy: 1.2106611392249718
Energy: 1.183697075515668
Energy: 1.199368159044515
Energy: 1.2990318534967407
Energy: 1.1993682361479685
Energy: 1.2990318534967407
Energy: 1.199368159044515
Energy: 1.2990318534967407
Energy: 1.294079675653417
Energy: 1.2012091742820825
Energy: 1.2940796756538688
Energy: 1.2012091742820825
Energy: 1.2940796756538688
Energy: 1.2012091742820825
Energy: 1.2930313257412274
Energy: 1.399782260146546
Energy: 1.2930313257412274
Energy: 1.399782260146546
Energy: 1.293031325741679
Energy: 1.3997822601469978
Energy: 1.3165701528985665
Energy: 1.2182953191073291
Energy: 1.3165701528990184
Energy: 1.2182953191073291
Energy: 1.3165701528990184
Energy: 1.2182953191073291
Energy: 1.1998217686529866
Energy: 1.2164010418431965
Energy: 1.1998217686529866
Energy: 1.2164010418427447
Energy: 1.1998217686529866
Energy: 1.2164010418431965
Energy: 1.484064062399519
Energy: 1.3446056073469999
Energy: 1.484064062399519
Energy: 1.3446056073474517
Energy: 1.484064062399519
Energy: 1.3446056073474517
Energy: 1.3049463721279195
Energy: 1.1989223942846665
Energy: 1.3049463721274677
Energy: 1.1989228021388685
Energy: 1.3049463721274677
Energy: 1.1989223942842144
Energy: 1.2253043297595516
Energy: 1.2590237317078083
Energy: 1.2253043297590998
Energy: 1.2480116407076818
Energy: 1.2253043297595516
Energy: 1.2590237317078083
Energy: 1.3949512582147618
Energy: 1.2965276046258674
Energy: 1.3949512582147618
Energy: 1.3494343304838543
Energy: 1.3949512582147618
Energy: 1.2965276046258674
Energy: 1.1154219898413305
Energy: 1.2449937254345451
Energy: 1.1154219898408786
Energy: 1.244993725432286
Energy: 1.1154219898413305
Energy: 1.2449937254331895
Energy: 1.1465999162387177
Energy: 1.2031296757881575
Energy: 1.1465999162382656
Energy: 1.2031296757881575
Energy: 1.1465999162369103
Energy: 1.2031296757881575
Energy: 1.1797790967327462
Energy: 1.2587474235563578
Energy: 1.1797740486314248
Energy: 1.2587474235734868
Energy: 1.1797790967327462
Energy: 1.2587474235522915
Energy: 1.2113899136137172
Energy: 1.3051931946714372
Energy: 1.2113899144479015
Energy: 1.3051931946714372
Energy: 1.2113899149130942
Energy: 1.3051931946714372
Energy: 1.1995960223959372
Energy: 1.2348360643209568
Energy: 1.1992346852587377
Energy: 1.2348360643214087
Energy: 1.1995960223959372
Energy: 1.2348360643209568
Energy: 1.243013870509851
Energy: 1.3330292287320713
Energy: 1.2933370791144425
Energy: 1.3330292287320713
Energy: 1.243013870509851
Energy: 1.3330292287320713
Energy: 1.2284359131041716
Energy: 1.1710786863723044
Energy: 1.2933850395959674
Energy: 1.1710786863723044
Energy: 1.2284359131041716
Energy: 1.1710786863727563
Energy: 1.1995635761035237
Energy: 1.1971054025024424
Energy: 1.1995635761039756
Energy: 1.1971054025024424
Energy: 1.1995635761039756
Energy: 1.1971054025028942
Energy: 1.3156933504973778
Energy: 1.2188327244755857
Energy: 1.315693350496926
Energy: 1.2188327244755857
Energy: 1.3156933504973778
Energy: 1.2188327244751338
Energy: 1.1797594240104325
Energy: 1.2520246019247852
Energy: 1.1797594240104325
Energy: 1.2520246019256889
Energy: 1.1797594240104325
Energy: 1.2520246019256889
Energy: 1.3050167952881488
Energy: 1.2032668123249695
Energy: 1.3050167952881488
Energy: 1.2032639059582453
Energy: 1.3050167952881488
Energy: 1.2032668123249695
Energy: 1.199025179889403
Energy: 1.2041773947448247
Energy: 1.199025179888951
Energy: 1.2141787099919619
Energy: 1.199025179889403
Energy: 1.2041773947502468
Energy: 1.394383203206922
Energy: 1.3494126713087848
Energy: 1.3943832032064702
Energy: 1.2965034510825377
Energy: 1.3943832032064702
Energy: 1.349412671308333
Energy: 1.2195399118811423
Energy: 1.3151194993696538
Energy: 1.2195399118811423
Energy: 1.3151194993696538
Energy: 1.2195399118811423
Energy: 1.3151194993696538
Energy: 1.1470719946276393
Energy: 1.1993478341932398
Energy: 1.1470719946280912
Energy: 1.1993478341936918
Energy: 1.1470719946276393
Energy: 1.1993478341932398
Energy: 1.347771278531118
Energy: 1.4848402401953
Energy: 1.3477712785306664
Energy: 1.4848402401953
Energy: 1.347771278531118
Energy: 1.4848402401953
Energy: 1.1993740925101322
Energy: 1.3050793971741228
Energy: 1.1993721495703789
Energy: 1.305079397173671
Energy: 1.1993740925101322
Energy: 1.305079397173671
Energy: 1.2602659372636675
Energy: 1.223660552360836
Energy: 1.2602659372632157
Energy: 1.223660552360836
Energy: 1.2602659372632157
Energy: 1.2236605523603843
Energy: 1.2930146209950708
Energy: 1.40063702950822
Energy: 1.2930146209950708
Energy: 1.40063702950822
Energy: 1.2930146209950708
Energy: 1.40063702950822
Energy: 1.2265895619890634
Energy: 1.1170112778739199
Energy: 1.2265895619899672
Energy: 1.1170112778739199
Energy: 1.2265895619899672
Energy: 1.1170112778743717
Energy: 1.199433719661078
Energy: 1.1952202039185311
Energy: 1.199433719660626
Energy: 1.1952202039185311
Energy: 1.199433719661078
Energy: 1.1952202039185311

minimum gb energy = 1.1154219898408786 eV
minimum distance =  2.35149463693349 Angstroms
sigma value = 51


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

Energy: 1.2867468385853056
Energy: 1.3045916687713075
Energy: 1.2867468385853056
Energy: 1.3045916687723542
Energy: 1.2867468385853056
Energy: 1.3045916687723542
Energy: 1.39073864964067
Energy: 1.232018951818591
Energy: 1.390738649641717
Energy: 1.232018951818591
Energy: 1.390738649641717
Energy: 1.232018951818591
Energy: 1.2232311082233978
Energy: 1.3038963004082025
Energy: 1.2232311082233978
Energy: 1.3038963004092492
Energy: 1.2232311082233978
Energy: 1.3038963004082025
Energy: 1.2678602425469365
Energy: 1.1357426456708068
Energy: 1.2678602425479832
Energy: 1.1357426456708068
Energy: 1.2678602425469365
Energy: 1.1357426456708068
Energy: 1.3047526611307863
Energy: 1.2395097456852273
Energy: 1.3047526611307863
Energy: 1.2395097456841804
Energy: 1.3047526611307863
Energy: 1.2395097456852273
Energy: 1.2384174954267038
Energy: 1.239274438277153
Energy: 1.2384174954267038
Energy: 1.239274438277153
Energy: 1.2384174954267038
Energy: 1.239274438277153
Energy: 1.2487863991582204
Energy: 1.2394322800511985
Energy: 1.2487863991592676
Energy: 1.2394322800511985
Energy: 1.2487863991582204
Energy: 1.2394322800511985
Energy: 1.1895709885069927
Energy: 1.2410131846549879
Energy: 1.1895709885059456
Energy: 1.2410131846549879
Energy: 1.1895709885059456
Energy: 1.2410131846549879
Energy: 1.469589962098053
Energy: 1.1353889100465666
Energy: 1.469589962098053
Energy: 1.1353889100465666
Energy: 1.469589962098053
Energy: 1.1353889100465666
Energy: 1.1622503057744702
Energy: 1.346381125914922
Energy: 1.1622503057744702
Energy: 1.346381125914922
Energy: 1.1622503057744702
Energy: 1.3463811259180627
Energy: 1.3779680592177856
Energy: 1.144330976291411
Energy: 1.3779680592177856
Energy: 1.144330976291411
Energy: 1.3779680592188326
Energy: 1.144330976291411
Energy: 1.2898789792321983
Energy: 1.3080647211184124
Energy: 1.2898789792321983
Energy: 1.3080647211173655
Energy: 1.2898789792321983
Energy: 1.3080647211184124
Energy: 1.386272062063802
Energy: 1.2313966892752866
Energy: 1.386272062064849
Energy: 1.2313966892763335
Energy: 1.386272062065896
Energy: 1.2313966892763335
Energy: 1.2232459713689492
Energy: 1.210292680210117
Energy: 1.2232459713689492
Energy: 1.2102926802090703
Energy: 1.2232459713689492
Energy: 1.2102926802090703
Energy: 1.2696577909068882
Energy: 1.2845881751967656
Energy: 1.2696577909068882
Energy: 1.2845881751967656
Energy: 1.2696577909068882
Energy: 1.2845881751967656
Energy: 1.3052233660828396
Energy: 1.23921137047278
Energy: 1.3052233660828396
Energy: 1.23921137047278
Energy: 1.3052233660828396
Energy: 1.23921137047278
Energy: 1.3053168322347013
Energy: 1.3450238142420476
Energy: 1.3053168322357482
Energy: 1.345023814241001
Energy: 1.3053168322357482
Energy: 1.345023814241001
Energy: 1.2863252003508532
Energy: 1.2440929813249535
Energy: 1.2863252003519001
Energy: 1.2440929813249535
Energy: 1.2863252003519001
Energy: 1.2440929813249535

minimum gb energy = 1.1353889100465666 eV
minimum distance =  2.24586692448322 Angstroms
sigma value = 19


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

Energy: 1.0718870427688367
Energy: 1.1012656690640579
Energy: 1.0718870427688367
Energy: 1.1012656690640579
Energy: 1.0718870427688367
Energy: 1.1012656690640579
Energy: 1.2029430406285548
Energy: 1.3031334449485028
Energy: 1.2029430406285548
Energy: 1.3031334449478817
Energy: 1.2029430406285548
Energy: 1.3031334449478817
Energy: 1.0357284111563334
Energy: 1.2987429941646722
Energy: 1.0357284111563334
Energy: 1.2987429941646722
Energy: 1.0357284111563334
Energy: 1.2987429941659143
Energy: 1.1294620019775812
Energy: 1.0357039199698692
Energy: 1.1294620019775812
Energy: 1.0357039199692482
Energy: 1.1294620019775812
Energy: 1.0357039199698692
Energy: 1.0569572452134932
Energy: 1.0694680121975453
Energy: 1.0569572452134932
Energy: 1.0694680121969242
Energy: 1.0569572452134932
Energy: 1.0694680121969242
Energy: 1.0569840015842518
Energy: 1.0694716364633652
Energy: 1.056984001584873
Energy: 1.0694716364627443
Energy: 1.0569840015842518
Energy: 1.0694716364633652
Energy: 1.1294650414249705
Energy: 1.0356474523811297
Energy: 1.1294650414243497
Energy: 1.0356474523805086
Energy: 1.1294650414249705
Energy: 1.0356474523805086
Energy: 1.0357223599178977
Energy: 1.3000541243868666
Energy: 1.0357223599178977
Energy: 1.3000541243868666
Energy: 1.0357223599185186
Energy: 1.3000541243868666
Energy: 1.2047063214463234
Energy: 1.3031878790793765
Energy: 1.2047063214469445
Energy: 1.3031878790793765
Energy: 1.2047063214463234
Energy: 1.3031878790793765
Energy: 1.0718870427688367
Energy: 1.1012656690634368
Energy: 1.0718870427688367
Energy: 1.1012656690634368
Energy: 1.0718870427688367
Energy: 1.1012656690634368
Energy: 1.2029430406285548
Energy: 1.3031334449478817
Energy: 1.2029430406285548
Energy: 1.3031334449478817
Energy: 1.2029430406291757
Energy: 1.3031334449478817
Energy: 1.0357284111563334
Energy: 1.2987429941640511
Energy: 1.0357284111563334
Energy: 1.298742994166535
Energy: 1.0357284111563334
Energy: 1.2987429941659143
Energy: 1.129462001978823
Energy: 1.0357039199698692
Energy: 1.129462001978823
Energy: 1.0357039199698692
Energy: 1.129462001978202
Energy: 1.0357039199698692
Energy: 1.0569572452134932
Energy: 1.0694680121969242
Energy: 1.0569572452134932
Energy: 1.0694680121975453
Energy: 1.0569572452134932
Energy: 1.0694680121975453
Energy: 1.0569840015842518
Energy: 1.0694716364627443
Energy: 1.056984001584873
Energy: 1.0694716364627443
Energy: 1.056984001584873
Energy: 1.0694716364633652
Energy: 1.1294650414249705
Energy: 1.0356474523805086
Energy: 1.1294650414249705
Energy: 1.0356474523805086
Energy: 1.1294650414249705
Energy: 1.0356474523805086
Energy: 1.0357223599178977
Energy: 1.3000541243862453
Energy: 1.0357223599178977
Energy: 1.3000541243868666
Energy: 1.0357223599178977
Energy: 1.3000541243862453
Energy: 1.2047063214463234
Energy: 1.3031878790793765
Energy: 1.2047063214469445
Energy: 1.3031878790793765
Energy: 1.2047063214469445
Energy: 1.3031878790793765
Energy: 1.0718870427688367
Energy: 1.1012656690640579
Energy: 1.0718870427688367
Energy: 1.1012656690634368
Energy: 1.0718870427688367
Energy: 1.1012656690640579
Energy: 1.2029430406291757
Energy: 1.3031334449478817
Energy: 1.2029430406285548
Energy: 1.3031334449478817
Energy: 1.2029430406285548
Energy: 1.3031334449485028
Energy: 1.0357284111569545
Energy: 1.2987429941652933
Energy: 1.0357284111563334
Energy: 1.2987429941640511
Energy: 1.0357284111569545
Energy: 1.2987429941659143
Energy: 1.129462001978202
Energy: 1.0357039199692482
Energy: 1.129462001978202
Energy: 1.0357039199698692
Energy: 1.129462001978202
Energy: 1.0357039199692482
Energy: 1.0569572452134932
Energy: 1.0694680121975453
Energy: 1.0569572452134932
Energy: 1.0694680121969242
Energy: 1.0569572452134932
Energy: 1.0694680121969242
Energy: 1.056984001584873
Energy: 1.0694716364633652
Energy: 1.0569840015842518
Energy: 1.0694716364633652
Energy: 1.056984001584873
Energy: 1.0694716364633652
Energy: 1.1294650414249705
Energy: 1.0356474523805086
Energy: 1.1294650414249705
Energy: 1.0356474523805086
Energy: 1.1294650414249705
Energy: 1.0356474523811297
Energy: 1.0357223599185186
Energy: 1.3000541243862453
Energy: 1.0357223599185186
Energy: 1.3000541243868666
Energy: 1.0357223599178977
Energy: 1.3000541243868666
Energy: 1.2047063214463234
Energy: 1.3031878790793765
Energy: 1.2047063214457023
Energy: 1.3031878790793765
Energy: 1.2047063214469445
Energy: 1.3031878790793765
Energy: 1.0718870427688367
Energy: 1.1012656690640579
Energy: 1.0718870427688367
Energy: 1.1012656690640579
Energy: 1.0718870427688367
Energy: 1.1012656690640579
Energy: 1.2029430406291757
Energy: 1.3031334449485028
Energy: 1.2029430406285548
Energy: 1.3031334449478817
Energy: 1.2029430406285548
Energy: 1.3031334449485028
Energy: 1.0357284111563334
Energy: 1.2987429941640511
Energy: 1.0357284111569545
Energy: 1.2987429941671562
Energy: 1.0357284111563334
Energy: 1.298742994166535

minimum gb energy = 1.0356474523805086 eV
minimum distance =  2.25780583091283 Angstroms
sigma value = 27


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

Energy: 1.0734067695494205
Energy: 1.0375096440053362
Energy: 1.0734067695494205
Energy: 1.0375096440053362
Energy: 1.0734067695494205
Energy: 1.0375096440053362
Energy: 1.2360718844889134
Energy: 1.0724678570507373
Energy: 1.2360718844873924
Energy: 1.0724678570507373
Energy: 1.2360718844858711
Energy: 1.0724678570507373
Energy: 1.0037035455162602
Energy: 1.2198742834350578
Energy: 1.0037035455147387
Energy: 1.2198742834365788
Energy: 1.0037035455162602
Energy: 1.2198742834350578
Energy: 1.204843520463002
Energy: 1.0038461875508495
Energy: 1.204843520463002
Energy: 1.0038461875508495
Energy: 1.2048435204614807
Energy: 1.0038461875508495
Energy: 1.2048717293202285
Energy: 1.0040676226886749
Energy: 1.2048717293202285
Energy: 1.0040676226886749
Energy: 1.2048717293202285
Energy: 1.0040676226886749
Energy: 1.2177631229524946
Energy: 1.2784633043919857
Energy: 1.2177631229524946
Energy: 1.2784633043935065
Energy: 1.2177631229524946
Energy: 1.2784633043935065
Energy: 1.1892827971868443
Energy: 1.0750145549564953
Energy: 1.1892827971868443
Energy: 1.0750145549564953
Energy: 1.1892827971868443
Energy: 1.0750145549564953
Energy: 1.0693490777206927
Energy: 1.0380243745866498
Energy: 1.0693490777206927
Energy: 1.0380243745866498
Energy: 1.0693490777206927
Energy: 1.0380243745866498
Energy: 1.2337566380839975
Energy: 1.0821997828046874
Energy: 1.2337566380839975
Energy: 1.0821997833900805
Energy: 1.2337566380839975
Energy: 1.0821997842916955
Energy: 1.1863854524790312
Energy: 1.2177504520129838
Energy: 1.1863854524790312
Energy: 1.2177504520129838
Energy: 1.1863854524790312
Energy: 1.2177504520129838
Energy: 1.0779102432476393
Energy: 1.0046571271920415
Energy: 1.0779102432476393
Energy: 1.0046571271920415
Energy: 1.0779102432476393
Energy: 1.0046571271920415
Energy: 1.2756104850637016
Energy: 1.1516899467536084
Energy: 1.2756104850637016
Energy: 1.1516899467536084
Energy: 1.2756104850637016
Energy: 1.1516899467536084

minimum gb energy = 1.0037035455147387 eV
minimum distance =  2.23628581345628 Angstroms
sigma value = 9


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

Energy: 1.0806878178739756
Energy: 1.0389354621370184
Energy: 1.080687817874403
Energy: 1.0389354621361637
Energy: 1.0806878178748303
Energy: 1.0389354621361637
Energy: 1.0391640230603498
Energy: 1.0572833141151468
Energy: 1.0391640230795827
Energy: 1.0165926691830263
Energy: 1.0391640230838568
Energy: 1.0572833141155742
Energy: 0.959426397800562
Energy: 1.0817533596976812
Energy: 0.9594263978009895
Energy: 1.0817533596976812
Energy: 0.959426397800562
Energy: 1.0817533596981084
Energy: 0.9756520046135994
Energy: 0.9423403711057352
Energy: 0.9756520046131719
Energy: 0.9423403711053078
Energy: 0.9756520046131719
Energy: 0.9423403711057352
Energy: 1.0430248266897915
Energy: 1.0195792607633223
Energy: 1.0430248266897915
Energy: 1.0195792607633223
Energy: 1.0430248266902191
Energy: 1.0195792607628948
Energy: 1.0640682919670683
Energy: 1.0840253527460921
Energy: 1.0640682919670683
Energy: 1.0840253527456647
Energy: 1.0640682919670683
Energy: 1.0840253527456647
Energy: 0.9943715683320454
Energy: 1.0628691634622425
Energy: 0.9943715683324729
Energy: 1.0628691634630976
Energy: 0.9943715683324729
Energy: 1.06286916346267
Energy: 0.9171647858076436
Energy: 1.06053515902874
Energy: 0.9171647858076436
Energy: 1.0605351590291676
Energy: 0.9171647858076436
Energy: 1.0605351590291676
Energy: 1.0882170675160772
Energy: 1.0199666050148724
Energy: 1.0882170675165044
Energy: 1.0199666050148724
Energy: 1.0882170675160772
Energy: 1.0199666050148724
Energy: 1.0658919518811178
Energy: 1.1453126563628044
Energy: 1.0658919518811178
Energy: 1.1453126563649414
Energy: 1.0658919518815455
Energy: 1.1453126563619496
Energy: 0.9755270295933951
Energy: 0.9493828938197196
Energy: 0.9755270295929678
Energy: 0.9493828938192923
Energy: 0.9755270295929678
Energy: 0.9493828938192923
Energy: 1.0076601909669025
Energy: 1.041965558785146
Energy: 1.0076601909669025
Energy: 1.0419655587855734
Energy: 1.007660190966475
Energy: 1.0419655587855734
Energy: 1.0325362606232946
Energy: 1.0313432659633646
Energy: 1.0325362606228674
Energy: 1.0313432659633646
Energy: 1.0325362606228674
Energy: 1.0313432659625101
Energy: 1.076956698689067
Energy: 1.0006220391737433
Energy: 1.076956698689922
Energy: 1.0006220391775897
Energy: 1.0769566986894947
Energy: 1.0006220391703629
Energy: 0.9535307533638935
Energy: 1.0501302237188141
Energy: 0.9535307533638935
Energy: 1.0501302237183865
Energy: 0.9535307533638935
Energy: 1.0501302237183865
Energy: 0.9722948321432141
Energy: 1.025440512939125
Energy: 0.9722948321419318
Energy: 1.0254405129382702
Energy: 0.9722948321432141
Energy: 1.025440512939125
Energy: 1.2456824574094145
Energy: 0.9430082051471149
Energy: 1.2456824574094145
Energy: 0.9430082051471149
Energy: 1.245682457408987
Energy: 0.9430082051471149
Energy: 0.9670807548662798
Energy: 1.0174698436605627
Energy: 0.9670807548662798
Energy: 1.0174698436609904
Energy: 0.9670807548667072
Energy: 1.0174698436609904
Energy: 0.9129466700724664
Energy: 1.2403108074862716
Energy: 0.9129466700728939
Energy: 1.2403108074841347
Energy: 0.9129466700724664
Energy: 1.2403108074858444
Energy: 1.1428626661115862
Energy: 0.9795809644468102
Energy: 1.1428626661115862
Energy: 0.9795809644421086
Energy: 1.1428626661111587
Energy: 0.9795809644493745
Energy: 0.9129163114352019
Energy: 1.24043679515286
Energy: 0.9129163114352019
Energy: 1.240436795155852
Energy: 0.9129163114352019
Energy: 1.2404367951554245
Energy: 0.9671159050564286
Energy: 1.0175303440871577
Energy: 0.9671159050564286
Energy: 1.0175303440867305
Energy: 0.9671159050564286
Energy: 1.0175303440875851
Energy: 1.2457731222597745
Energy: 0.9432284326112043
Energy: 1.2457731222597745
Energy: 0.9432284326116317
Energy: 1.2457731222593473
Energy: 0.9432284326094946
Energy: 0.9725326166956423
Energy: 1.0525472271126226
Energy: 0.9725326166947875
Energy: 1.0525472271126226
Energy: 0.9725326166947875
Energy: 1.0525472271130498
Energy: 0.953206958440799
Energy: 1.0500140967788314
Energy: 0.953206958440799
Energy: 1.0500140967788314
Energy: 0.953206958440799
Energy: 1.0500140967788314
Energy: 1.0767031705124488
Energy: 1.055336212339585
Energy: 1.0767031705141585
Energy: 1.0553362123404402
Energy: 1.0767031705115941
Energy: 1.0553362123408674
Energy: 1.032017598479558
Energy: 1.0313364301793595
Energy: 1.032017598479558
Energy: 1.0313364301793595
Energy: 1.0320175984791307
Energy: 1.0313364301793595
Energy: 1.00761931300541
Energy: 1.011440930246985
Energy: 1.00761931300541
Energy: 1.01144093024613
Energy: 1.0076193130045552
Energy: 1.0114409302465577
Energy: 0.975550390301758
Energy: 0.9490232654720865
Energy: 0.975550390301758
Energy: 0.9490232654720865
Energy: 0.975550390301758
Energy: 0.9490232654725139
Energy: 1.065956614546597
Energy: 0.9878099700292358
Energy: 1.0659566145461696
Energy: 0.987809970028381
Energy: 1.065956614546597
Energy: 0.9878099700288083
Energy: 1.087922230338082
Energy: 1.020013635667372
Energy: 1.0879222303385092
Energy: 1.020013635667372
Energy: 1.087922230338082
Energy: 1.0200136356677991
Energy: 0.9171737571215535
Energy: 1.0607783372300579
Energy: 0.9171737571215535
Energy: 1.0607783372300579
Energy: 0.9171737571215535
Energy: 1.0607783372300579
Energy: 0.994522309528829
Energy: 1.0630754779743703
Energy: 0.9945223095284016
Energy: 1.0630754779743703
Energy: 0.9945223095284016
Energy: 1.0630754779747977
Energy: 1.0647021391095126
Energy: 1.038357596305724
Energy: 1.06470213910994
Energy: 1.038357596305297
Energy: 1.0647021391095126
Energy: 1.038357596305724
Energy: 1.0429885323996082
Energy: 1.019696522329967
Energy: 1.0429885324000356
Energy: 1.0196965223303944
Energy: 1.0429885324000356
Energy: 1.0196965223308216
Energy: 0.9779519840669701
Energy: 0.942578967171161
Energy: 0.9779519840669701
Energy: 0.942578967171161
Energy: 0.9779519840669701
Energy: 0.942578967171161
Energy: 0.9596584674420134
Energy: 1.0818594429644206
Energy: 0.959658467441586
Energy: 1.081859442964848
Energy: 0.959658467441586
Energy: 1.0818594429644206
Energy: 1.0389997442740557
Energy: 0.9588656772220728
Energy: 1.0389997442859842
Energy: 0.9588656772225002
Energy: 1.038999744272346
Energy: 0.9588656772225002
Energy: 1.0806878178739756
Energy: 1.038935462135309
Energy: 1.080687817874403
Energy: 1.0389354621357363
Energy: 1.080687817874403
Energy: 1.0389354621357363
Energy: 1.0391640230411168
Energy: 1.016592669183454
Energy: 1.0391640230556483
Energy: 1.016592669183454
Energy: 1.0391640230539387
Energy: 1.0165926691830263
Energy: 0.9594263978009895
Energy: 1.081753359707511
Energy: 0.9594263978009895
Energy: 1.0817533597045195
Energy: 0.9594263978009895
Energy: 1.081753359706229
Energy: 0.9756520046131719
Energy: 0.9423403711061624
Energy: 0.9756520046127445
Energy: 0.9423403711061624
Energy: 0.9756520046131719
Energy: 0.9423403711061624
Energy: 1.0430248266902191
Energy: 1.0195792607628948
Energy: 1.0430248266902191
Energy: 1.0195792607628948
Energy: 1.0430248266902191
Energy: 1.0195792607628948

minimum gb energy = 0.9129163114352019 eV
minimum distance =  2.29055267969372 Angstroms
sigma value = 57


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

Energy: 0.7931413199164361
Energy: 0.7472106017382989
Energy: 0.4799092809209872
Energy: 0.7472106017382989
Energy: 0.7931413199164361
Energy: 0.7472106017382989
Energy: 0.9112224964522664
Energy: 0.7340472171003227
Energy: 0.9112224964512934
Energy: 0.7339214520595541
Energy: 0.9112224964512934
Energy: 0.7340472171003227
Energy: 0.8108645623776752
Energy: 0.8712238999822544
Energy: 0.8108645623776752
Energy: 1.0373617521539389
Energy: 0.8108645623776752
Energy: 0.8712238999812816
Energy: 0.7475131937179904
Energy: 0.6360035641253939
Energy: 0.7475131937189633
Energy: 0.47962864556992624
Energy: 0.7475131937179904
Energy: 0.6360035641253939
Energy: 0.6433279202112427
Energy: 0.9170061743981589
Energy: 0.6433279202122156
Energy: 0.9170061743971859
Energy: 0.6433279202122156
Energy: 0.9170061743971859
Energy: 0.4799273265447946
Energy: 0.8108123172355122
Energy: 0.4799273265447946
Energy: 0.8108123172355122
Energy: 0.4799273265447946
Energy: 0.8108123172355122
Energy: 0.479877172637324
Energy: 0.5509842108961507
Energy: 0.479877172637324
Energy: 0.5509842108961507
Energy: 0.479877172637324
Energy: 0.5509842108961507
Energy: 0.9124408182652236
Energy: 0.6473584997245907
Energy: 0.9124408182661966
Energy: 0.6473584997245907
Energy: 0.9124408182652236
Energy: 0.6473584997236178
Energy: 0.7473327245149455
Energy: 0.4796026996173357
Energy: 0.7473327245159184
Energy: 0.6359644900388607
Energy: 0.7473327245159184
Energy: 0.4796026996183087
Energy: 0.5508139693897631
Energy: 0.928660001996076
Energy: 0.5508139693897631
Energy: 0.928660001996076
Energy: 0.5508139693887902
Energy: 0.928660001996076
Energy: 0.6425832437729183
Energy: 0.7336286931183997
Energy: 0.6425832437729183
Energy: 0.7336286931203456
Energy: 0.6425832437729183
Energy: 0.7336286931193726
Energy: 0.7931413199164361
Energy: 0.7472106017382989
Energy: 0.4799092809209872
Energy: 0.7472106017382989
Energy: 0.7931413199164361
Energy: 0.7472106017382989
Energy: 0.9112224964503204
Energy: 0.7340472171003227
Energy: 0.9112224964503204
Energy: 0.7339214520595541
Energy: 0.9112224964512934
Energy: 0.7340472171003227
Energy: 0.8108645623776752
Energy: 0.8712238999812816
Energy: 0.8108645623776752
Energy: 1.0373617521549119
Energy: 0.8108645623776752
Energy: 0.8712238999812816
Energy: 0.7475131937179904
Energy: 0.6360035641253939
Energy: 0.7475131937179904
Energy: 0.47962864556992624
Energy: 0.7475131937179904
Energy: 0.6360035641253939
Energy: 0.6433279202112427
Energy: 0.9170061743971859
Energy: 0.6433279202122156
Energy: 0.9170061743971859
Energy: 0.6433279202122156
Energy: 0.9170061743981589
Energy: 0.4799273265447946
Energy: 0.8108123172364852
Energy: 0.4799273265447946
Energy: 0.8108123172355122
Energy: 0.4799273265447946
Energy: 0.8108123172364852
Energy: 0.479877172637324
Energy: 0.5509842108971236
Energy: 0.479877172637324
Energy: 0.5509842108961507
Energy: 0.479877172637324
Energy: 0.5509842108961507
Energy: 0.9124408182652236
Energy: 0.6473584997236178
Energy: 0.9124408182652236
Energy: 0.6473584997236178
Energy: 0.9124408182652236
Energy: 0.6473584997236178

minimum gb energy = 0.4796026996173357 eV
minimum distance =  2.39876811578977 Angstroms
sigma value = 11


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

Energy: 0.940051441076963
Energy: 1.042622887348994
Energy: 0.940051441076963
Energy: 1.042622887348994
Energy: 0.940051441076963
Energy: 1.0426228873497068
Energy: 1.0817312189263952
Energy: 0.9160298297848946
Energy: 1.0817312189250348
Energy: 0.9160298297848946
Energy: 1.0817312189263952
Energy: 0.9160298297841819
Energy: 1.0453352762017865
Energy: 1.2136255401494314
Energy: 1.0453352762024992
Energy: 1.2136255401487186
Energy: 1.0453352762017865
Energy: 1.2136255401487186
Energy: 0.9883974680835438
Energy: 0.8483544164993175
Energy: 0.9883974680835438
Energy: 0.8483544164993175
Energy: 0.988397468082831
Energy: 0.8483544164986049
Energy: 1.0071111904057772
Energy: 0.8132474030962225
Energy: 1.0071111904057772
Energy: 0.8132474030962225
Energy: 1.0071111904057772
Energy: 0.8132474030962225
Energy: 0.991613968212323
Energy: 0.8335416537173278
Energy: 0.991613968212323
Energy: 0.8335416537187533
Energy: 0.991613968212323
Energy: 0.8335416537201786
Energy: 0.8107949604106925
Energy: 0.8990261583544441
Energy: 0.8107949604099799
Energy: 0.8990261583551566
Energy: 0.8107949604099799
Energy: 0.8990261583551566
Energy: 1.047971905741275
Energy: 0.7810933082002338
Energy: 1.0479719057405625
Energy: 0.7810933081995212
Energy: 1.0479719057398498
Energy: 0.7810933082002338
Energy: 1.0447091107935715
Energy: 0.784753476998406
Energy: 1.044709110792859
Energy: 0.784753476998406
Energy: 1.0447091107935715
Energy: 0.7847534769976935
Energy: 0.8037356350976799
Energy: 1.1344018916676997
Energy: 0.8037356350983926
Energy: 1.1344018916684122
Energy: 0.8037356350976799
Energy: 1.1344018916684122
Energy: 1.024445157483847
Energy: 1.0027212717703873
Energy: 1.0244451574859852
Energy: 1.0027212717689618
Energy: 1.0244451574831344
Energy: 1.0027212717689618
Energy: 0.9218782946823251
Energy: 0.8163173841724409
Energy: 0.9218782946837504
Energy: 0.8163173841717284
Energy: 0.9218782946823251
Energy: 0.8163173841724409
Energy: 1.068368697122843
Energy: 0.8542314296254506
Energy: 1.068368697122843
Energy: 0.854231429626876
Energy: 1.068368697122843
Energy: 0.8542314296261634
Energy: 1.0212359189643645
Energy: 1.1787406109008718
Energy: 1.0212359189629392
Energy: 1.1787406109008718
Energy: 1.0212359189629392
Energy: 1.1787406109008718
Energy: 1.0986058877317564
Energy: 0.9268021449626959
Energy: 1.0986058877317564
Energy: 0.9268021449626959
Energy: 1.0986058877317564
Energy: 0.9268021449626959
Energy: 0.8975883766531744
Energy: 1.0488233906648385
Energy: 0.8975883766538871
Energy: 1.0488233906648385
Energy: 0.8975883766531744
Energy: 1.0488233906648385
Energy: 0.8701888004933876
Energy: 0.9149494862336953
Energy: 0.8701888004933876
Energy: 0.9149494862344079
Energy: 0.8701888004912496
Energy: 0.9149494862329826
Energy: 1.2812301929744527
Energy: 0.9482759154758378
Energy: 1.2812301929744527
Energy: 0.9482759162188409
Energy: 1.2812301929758783
Energy: 0.9482759154281529
Energy: 0.9888364134116514
Energy: 0.8449542055050095
Energy: 0.9888364134116514
Energy: 0.8449542055042967
Energy: 0.9888364134116514
Energy: 0.844954205505722
Energy: 0.8404691148481803
Energy: 0.9457998103633434
Energy: 0.840469114851031
Energy: 0.9457998103633434
Energy: 0.8404691148460424
Energy: 0.9457998103633434
Energy: 0.8039845237647335
Energy: 0.8366732105435325
Energy: 0.8039845237647335
Energy: 0.8366732105413944
Energy: 0.8039845237647335
Energy: 0.8366732105421072
Energy: 0.8614704117106468
Energy: 0.896518439793846
Energy: 0.8614704117120722
Energy: 0.896518439793846
Energy: 0.8614704117120722
Energy: 0.896518439793846
Energy: 1.0515708146843186
Energy: 0.9568071022338731
Energy: 1.0515708146850316
Energy: 0.9568071022345856
Energy: 1.0515708146843186
Energy: 0.9568071022338731
Energy: 0.957253840718168
Energy: 0.9110900799457469
Energy: 0.9572538407174551
Energy: 0.9110900799457469
Energy: 0.9572538407195933
Energy: 0.9110900799457469
Energy: 0.8039694985616097
Energy: 0.8974175392556429
Energy: 0.8039694985616097
Energy: 0.8974175392172228
Energy: 0.8039694985616097
Energy: 0.8974175392343272
Energy: 1.4409754527561818
Energy: 1.0032936059147997
Energy: 1.4409754527561818
Energy: 1.0032936059147997
Energy: 1.440975452755469
Energy: 1.0032936059155124

minimum gb energy = 0.7810933081995212 eV
minimum distance =  2.29887826671477 Angstroms
sigma value = 41


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

Energy: 1.0356675743137822
Energy: 0.9079530566642977
Energy: 1.0356675743137822
Energy: 0.9079530566642977
Energy: 1.0356675743143442
Energy: 0.9079530566642977
Energy: 1.1542402209746512
Energy: 0.9575971385849719
Energy: 1.1542402209746512
Energy: 0.9575971385838484
Energy: 1.1542402209746512
Energy: 0.957597138578793
Energy: 1.0162767770619725
Energy: 1.0594094571005817
Energy: 1.016276777063096
Energy: 1.0594094571005817
Energy: 1.0162767770625345
Energy: 1.0594094571011434
Energy: 0.9620752493730655
Energy: 0.8996980321158026
Energy: 0.9620752493730655
Energy: 0.8996980321158026
Energy: 0.9620752493730655
Energy: 0.8996980321158026
Energy: 0.8672158453287907
Energy: 0.9456977513747772
Energy: 0.8672158453282289
Energy: 0.9456977513759007
Energy: 0.8672158453287907
Energy: 0.945697751375339
Energy: 1.1270743333254294
Energy: 0.9661459232398643
Energy: 1.1270743333254294
Energy: 0.9661459232370558
Energy: 1.1270743333248674
Energy: 0.9661459232364941
Energy: 0.8896177887749308
Energy: 1.2357907109802297
Energy: 0.8896177887749308
Energy: 1.2357907109802297
Energy: 0.8896177887754927
Energy: 1.2357907109807913
Energy: 0.8655483707508757
Energy: 0.8998332217491489
Energy: 0.8655483707508757
Energy: 0.8998332217485873
Energy: 0.8655483707514374
Energy: 0.8998332217491489
Energy: 0.8759349484634947
Energy: 0.9278476443112686
Energy: 0.8759349484634947
Energy: 0.9278476443112686
Energy: 0.8759349484634947
Energy: 0.9278476443112686
Energy: 0.9573519090930235
Energy: 0.9785573288856786
Energy: 0.9573519090941468
Energy: 0.9785573288845552
Energy: 0.9573519090935853
Energy: 0.9785573288817466
Energy: 0.9529967634229642
Energy: 0.9814972267983307
Energy: 0.952996763423526
Energy: 0.9814972267988922
Energy: 0.952996763423526
Energy: 0.9814972267983307
Energy: 0.8518593582906713
Energy: 1.1653459290580133
Energy: 0.8518593582906713
Energy: 1.1653459290580133
Energy: 0.8518593582906713
Energy: 1.165345929058575
Energy: 0.866206454708986
Energy: 0.8951112045428355
Energy: 0.8662064547084244
Energy: 0.8951112045422739
Energy: 0.8662064547078627
Energy: 0.8951112045428355
Energy: 0.8340797876544184
Energy: 0.9800600217059584
Energy: 0.83407978765498
Energy: 0.9800600217065201
Energy: 0.8340797876544184
Energy: 0.9800600217053966
Energy: 1.1294592779238524
Energy: 1.0992748232975227
Energy: 1.1294592779238524
Energy: 1.0992748232980845
Energy: 1.1294592779232908
Energy: 1.0992748232980845
Energy: 0.8340938284288509
Energy: 1.0890040401613703
Energy: 0.8340938284294125
Energy: 1.0890040401608083
Energy: 0.8340938284288509
Energy: 1.0890040401613703
Energy: 0.8740360860757498
Energy: 0.8948259186603837
Energy: 0.8740360860757498
Energy: 0.8948259186598221
Energy: 0.8740360860757498
Energy: 0.8948259186609455
Energy: 0.9048366886694553
Energy: 1.0588605844742813
Energy: 0.9048366886694553
Energy: 1.0588605844742813
Energy: 0.9048366886700169
Energy: 1.0588605844742813
Energy: 0.9782390966341612
Energy: 1.0848959725535712
Energy: 0.9782390966380932
Energy: 1.0848959725535712
Energy: 0.9782390966392166
Energy: 1.0848959725541327
Energy: 0.9533355023552639
Energy: 1.095133447868015
Energy: 0.9533355023558256
Energy: 1.095133447868015
Energy: 0.9533355023558256
Energy: 1.0951334478691384
Energy: 0.8767865720897362
Energy: 0.9580991880749984
Energy: 0.8767865720891747
Energy: 0.9580991880710664
Energy: 0.8767865720902981
Energy: 0.9580991880733134
Energy: 0.9182398855870447
Energy: 1.2222588528184035
Energy: 0.9182398855870447
Energy: 1.2222588528184035
Energy: 0.9182398855870447
Energy: 1.2222588528184035
Energy: 0.9602879028036966
Energy: 0.8940528231758439
Energy: 0.9602879028042584
Energy: 0.8940528231758439
Energy: 0.9602879028036966
Energy: 0.8940528231758439
Energy: 0.8339380850831418
Energy: 1.1120140530126537
Energy: 0.8339380850825803
Energy: 1.1187553477364103
Energy: 0.8339380850837037
Energy: 1.1120140530120919
Energy: 0.8402609707209611
Energy: 1.1112440362681164
Energy: 0.8402609707215227
Energy: 1.1112440362647464
Energy: 0.8402609707215227
Energy: 1.1112440362653078
Energy: 0.8889987859193692
Energy: 0.8902789736834865
Energy: 0.8889987859199309
Energy: 0.8902789736840482
Energy: 0.8889987859199309
Energy: 0.8902789736834865
Energy: 0.8695549958569202
Energy: 0.8942711535386055
Energy: 0.8695549958569202
Energy: 0.8942711535386055
Energy: 0.8695549958563584
Energy: 0.8942711535386055
Energy: 0.8754909011279576
Energy: 0.9565400929640369
Energy: 0.8754909011273959
Energy: 0.9565400929645985
Energy: 0.8754909011273959
Energy: 0.9565400929662836
Energy: 0.9530386811669178
Energy: 1.098884356051663
Energy: 0.9530386811697263
Energy: 1.0988843560522248
Energy: 0.953038681166356
Energy: 1.098884356051663
Energy: 1.0495002245091591
Energy: 0.9343626927268597
Energy: 1.0495002245102827
Energy: 0.9343626927268597
Energy: 1.0495002245085976
Energy: 0.9343626927279831
Energy: 0.8528913883390097
Energy: 1.0642377163017214
Energy: 0.8528913883395715
Energy: 1.0642377163017214
Energy: 0.8528913883378862
Energy: 1.0642377163017214
Energy: 0.8905594685130849
Energy: 0.9240689975872506
Energy: 0.8905594685130849
Energy: 0.9240689975872506
Energy: 0.8905594685130849
Energy: 0.9240689975878122
Energy: 0.8396364851562496
Energy: 0.9171654210365058
Energy: 0.8396364851562496
Energy: 0.9171654210353823
Energy: 0.8396364851562496
Energy: 0.9171654210353823

minimum gb energy = 0.8339380850825803 eV
minimum distance =  2.3143112670494 Angstroms
sigma value = 33


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

Energy: 1.075646758193587
Energy: 0.9746273458029877
Energy: 1.0273081548299756
Energy: 0.9746273458037762
Energy: 1.075646758194017
Energy: 0.9746273458029877
Energy: 1.101109098215399
Energy: 0.940171515418702
Energy: 1.1011090982157574
Energy: 0.9401715154194905
Energy: 1.1011090982157574
Energy: 0.9401715154194905
Energy: 1.0073763030325702
Energy: 1.0806785517893256
Energy: 1.0073763030329286
Energy: 1.0806785517881068
Energy: 1.0073763030329286
Energy: 1.0806785517893256
Energy: 0.9522133484566967
Energy: 0.964123281992015
Energy: 0.9522133484570551
Energy: 0.964123281992015
Energy: 0.9522133484578436
Energy: 0.9641232819923733
Energy: 0.9970505611517628
Energy: 1.0159039499587474
Energy: 0.9970469683407484
Energy: 1.0159039499591775
Energy: 0.9970505611517628
Energy: 1.0159039499587474
Energy: 1.2014537017683686
Energy: 0.934943596166126
Energy: 1.201453701767222
Energy: 0.9349435961669144
Energy: 1.2014537017660034
Energy: 0.934943596166556
Energy: 0.9830678075879382
Energy: 1.0791208560753858
Energy: 0.9830678075879382
Energy: 1.0791208560757442
Energy: 0.9830678075871498
Energy: 1.0791208560753858
Energy: 0.989736657761381
Energy: 0.9906802974021499
Energy: 0.9897366577621693
Energy: 0.9906802974033683
Energy: 0.9897366577629578
Energy: 0.9906802974025798
Energy: 1.146557863930548
Energy: 1.0077748626079772
Energy: 1.1464860410304656
Energy: 1.007774862607189
Energy: 1.1465578639294012
Energy: 1.007774862607189
Energy: 1.2771069712543535
Energy: 0.9634404546346255
Energy: 1.277106971255142
Energy: 0.963440454633837
Energy: 1.277106971255142
Energy: 0.9634404546346255
Energy: 1.040830129405687
Energy: 0.9869988588934994
Energy: 1.0408301294044684
Energy: 0.9869988588938576
Energy: 1.0408301294041102
Energy: 0.9869988588938576
Energy: 1.0818076942213681
Energy: 0.963962434031047
Energy: 1.0818076942307577
Energy: 0.9639624340314052
Energy: 1.0818076942311878
Energy: 0.963962434031047
Energy: 0.955893034648688
Energy: 1.071082422595974
Energy: 0.955893034648688
Energy: 1.071082422595974
Energy: 0.955893034648688
Energy: 1.0710824225967623
Energy: 1.0066973344477808
Energy: 1.041298175432492
Energy: 1.0066973344489276
Energy: 1.0412981754309152
Energy: 1.0066973344489276
Energy: 1.0412981754312733
Energy: 0.9946467154724211
Energy: 0.9294650747763386
Energy: 0.9946467154739981
Energy: 0.929465074777127
Energy: 0.9946467154744282
Energy: 0.929465074777127
Energy: 0.9920339476795459
Energy: 1.0251019206350112
Energy: 0.9920339476783991
Energy: 1.0251019204868572
Energy: 0.9920339476787574
Energy: 1.0251019205813976
Energy: 1.0206974794288672
Energy: 0.9796831842516521
Energy: 1.0206974794540973
Energy: 0.9796831842512221
Energy: 1.0206974795837587
Energy: 0.9796831842508636
Energy: 0.9601546006734554
Energy: 1.0100333764040053
Energy: 0.9601385367153786
Energy: 1.0100333764055818
Energy: 0.9601546006738136
Energy: 1.010033376406012
Energy: 1.0833533628111787
Energy: 1.0049429882229277
Energy: 1.0833533628111787
Energy: 1.004942988221781
Energy: 1.0833533628115368
Energy: 1.0049429882237162
Energy: 1.0749139043209435
Energy: 0.984645507315184
Energy: 1.0749139043205131
Energy: 0.9846455073163307
Energy: 1.07491390432209
Energy: 0.9846455073163307
Energy: 0.9546353741483748
Energy: 1.0013276678413425
Energy: 0.9546353741483748
Energy: 1.001327667840554
Energy: 0.9546353741480164
Energy: 1.001327667840554
Energy: 0.9360270287749483
Energy: 1.1012539741143108
Energy: 0.9360140882497177
Energy: 1.101253974114741
Energy: 0.9360270287749483
Energy: 1.1012539741139524
Energy: 0.9950647828674791
Energy: 0.9278180833027317
Energy: 0.9950647828663324
Energy: 0.9278180833035201
Energy: 0.9950647828651139
Energy: 0.9278180833027317
Energy: 0.9701807808914819
Energy: 1.0377143966785254
Energy: 0.9701807808914819
Energy: 1.0377143966793139
Energy: 0.9701807808911235
Energy: 1.0377143966785254
Energy: 1.0187425669528765
Energy: 0.979474825431844
Energy: 1.018742566953235
Energy: 0.9794748254302674
Energy: 1.018742566953665
Energy: 0.9794748254314142
Energy: 0.9312684147128832
Energy: 1.1985470204850144
Energy: 0.9312684147125248
Energy: 1.1985470204857311
Energy: 0.9312684147133131
Energy: 1.1985470204861612
Energy: 1.0459511879584975
Energy: 0.9855928620353845
Energy: 1.0459511879584975
Energy: 0.9855928620341661
Energy: 1.0459511879580674
Energy: 0.9855928620349544
Energy: 1.0638998832345656
Energy: 0.9688026316811834
Energy: 0.9998794429688902
Energy: 0.9688026316816136
Energy: 1.0638998832353541
Energy: 0.9688026316816136
Energy: 1.0103898063996464
Energy: 1.118728206948321
Energy: 1.0103898063992163
Energy: 1.1187282069522633
Energy: 1.0103898064000048
Energy: 1.1187282069522633
Energy: 0.9597819038928315
Energy: 1.2735293646561905
Energy: 0.9597819038924731
Energy: 1.2735293646558323
Energy: 0.959781903892043
Energy: 1.2735293646550438
Energy: 0.9521390980689367
Energy: 0.9571789001861657
Energy: 0.9521390980717319
Energy: 0.9571789001853772
Energy: 0.9521390980709435
Energy: 0.9571789001858073
Energy: 0.9702405320992911
Energy: 1.0734286505696584
Energy: 0.9705464330824969
Energy: 1.073428650565716
Energy: 0.9702405320989326
Energy: 1.0734286505625623
Energy: 1.0896092785817257
Energy: 0.9306976773889171
Energy: 1.0896092785817257
Energy: 0.9306976773896338
Energy: 1.0896092785817257
Energy: 0.9306976773892756
Energy: 1.0378058783629351
Energy: 0.9995456345022095
Energy: 1.0378058783625765
Energy: 0.999545634501421
Energy: 1.0378058783621467
Energy: 0.9995456345002742
Energy: 0.9882330499789982
Energy: 0.9996852401515589
Energy: 0.9882330499789982
Energy: 0.9996852401519888
Energy: 0.9882330499782098
Energy: 0.9996852401527772
Energy: 1.0721622641695492
Energy: 0.983301957588103
Energy: 1.071769712636204
Energy: 0.9833019575873146
Energy: 1.0721622641719146
Energy: 0.9833019575861678
Energy: 0.9698290444417123
Energy: 1.0259831519187632
Energy: 0.9698290444409239
Energy: 1.02598315189554
Energy: 0.9698290444425007
Energy: 1.0259831519171863
Energy: 1.0052605821475973
Energy: 0.9574465882017656
Energy: 1.0052605821475973
Energy: 0.957446588204131
Energy: 1.0052605821475973
Energy: 0.9574465882033426
Energy: 1.01034917950198
Energy: 1.3331442150965698
Energy: 1.0103488185585168
Energy: 1.3331442150957813
Energy: 1.010349179499615
Energy: 1.3331442150969997
Energy: 0.95613324225056
Energy: 1.0715217035443205
Energy: 0.95613324225056
Energy: 1.0715217035458975
Energy: 0.9561332422502017
Energy: 1.0715217035427438
Energy: 0.9998912340215246
Energy: 0.9671842807465705
Energy: 0.9998912340211661
Energy: 0.9671842807462121
Energy: 0.9998912340207361
Energy: 0.9671842807462121
Energy: 1.1002209812518315
Energy: 0.9332407092169671
Energy: 1.1002209812514732
Energy: 0.9332407092161786
Energy: 1.1002209812518315
Energy: 0.9332407092161786
Energy: 0.9830321384527825
Energy: 1.2626232350106703
Energy: 0.9830321384531411
Energy: 1.2626232350130355
Energy: 0.9830321384531411
Energy: 1.262623235012247
Energy: 0.9677308542383233
Energy: 0.9593864271905944
Energy: 0.9677308542399001
Energy: 0.9593864271898059
Energy: 0.9677308542419071
Energy: 0.9593864271882291
Energy: 0.9695642490115526
Energy: 1.0059458507559196
Energy: 0.9695642176722491
Energy: 1.0059458507562782
Energy: 0.969564249010334
Energy: 1.005945850756708
Energy: 0.9947524025478626
Energy: 0.9283265076307952
Energy: 0.9947524025474325
Energy: 0.9283265076300068
Energy: 0.9947524025474325
Energy: 0.9283265076288598
Energy: 0.9355908431099316
Energy: 1.0501598357761526
Energy: 0.9355908431110783
Energy: 1.050159835776583
Energy: 0.9355908431091431
Energy: 1.050159835776583

minimum gb energy = 0.9278180833027317 eV
minimum distance =  2.32247281130012 Angstroms
sigma value = 67


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

Energy: 1.0537932901714344
Energy: 0.9638735798710011
Energy: 1.0537932901714344
Energy: 0.9638735798710011
Energy: 1.0537932901714344
Energy: 0.9638735798710011
Energy: 1.0190239729056203
Energy: 0.9149448418400288
Energy: 1.0190239729029855
Energy: 0.9149448418400288
Energy: 1.0190239729029855
Energy: 0.9149448418400288
Energy: 1.0867781586629577
Energy: 1.1678632937980988
Energy: 1.0867781586629577
Energy: 1.1678632937980988
Energy: 1.0867781586655925
Energy: 1.1678632937980988
Energy: 1.0190140406361763
Energy: 0.914960438621856
Energy: 1.0190140406361763
Energy: 0.914960438621856
Energy: 1.0190140406361763
Energy: 0.914960438621856
Energy: 1.053793290174069
Energy: 0.9638735798710011
Energy: 1.0537932901714344
Energy: 0.9638735798710011
Energy: 1.0537932901714344
Energy: 0.9638735798710011
Energy: 1.0190239729029855
Energy: 0.9149448418400288
Energy: 1.0190239729056203
Energy: 0.9149448418400288
Energy: 1.0190239729029855
Energy: 0.9149448418400288
Energy: 0.9353458943452564
Energy: 1.1678632937980988
Energy: 0.9353458943452564
Energy: 1.1678632937980988
Energy: 0.9353458943452564
Energy: 1.1678632937980988

minimum gb energy = 0.9149448418400288 eV
minimum distance =  2.33261258488038 Angstroms
sigma value = 3


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

Energy: 1.2995600491132913
Energy: 1.147229208116043
Energy: 1.2523447683270714
Energy: 1.1472292081196283
Energy: 1.2995600491132913
Energy: 1.1472292081196283
Energy: 1.169099758334186
Energy: 1.0733259122673982
Energy: 1.169099758334186
Energy: 1.0733259122673982
Energy: 1.1690997583377711
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Energy: 1.1510239627227061
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Energy: 1.1309629124370775
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Energy: 1.1132053420539703
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Energy: 1.0761909137238084
Energy: 1.204507619928675
Energy: 1.115302229370446
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Energy: 1.1767322455473925
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Energy: 1.1767322455473925
Energy: 1.1580174227824165
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Energy: 1.1514225463718601
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Energy: 1.1301743035043141
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Energy: 1.238929790374463
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Energy: 1.2373799560478465
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Energy: 1.238929790374463
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Energy: 1.0756741613926248
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Energy: 1.0756754830205573
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Energy: 1.1786230348987605
Energy: 1.1002430472820204
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Energy: 1.1002430472820204
Energy: 1.1786230349059312
Energy: 1.1002430472820204
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Energy: 1.2032572864472841
Energy: 1.0717562812138994
Energy: 1.2032572864472841
Energy: 1.0717562812138994
Energy: 1.2032572864472841
Energy: 1.2585659536958116
Energy: 1.1618978455871696
Energy: 1.2585659536958116
Energy: 1.1618978455871696
Energy: 1.2585659536958116
Energy: 1.1618978455835842
Energy: 1.1036428557067426
Energy: 1.1161568034423957
Energy: 1.1036366641557611
Energy: 1.1161568039513183
Energy: 1.1036428557067426
Energy: 1.1161568033277303
Energy: 1.2983287835438109
Energy: 1.0692156510168147
Energy: 1.2983287835438109
Energy: 1.0692156510168147
Energy: 1.2983287835438109
Energy: 1.0692156510168147
Energy: 1.115525954474147
Energy: 1.1144203796137662
Energy: 1.115525954474147
Energy: 1.1144203796137662
Energy: 1.115525954474147
Energy: 1.1144203796101806
Energy: 1.1877640017327402
Energy: 1.0746860282235213
Energy: 1.1877640017327402
Energy: 1.0746860282235213
Energy: 1.1877640017327402
Energy: 1.0746860282235213
Energy: 1.1598126304803298
Energy: 1.1573981878853432
Energy: 1.1598126304803298
Energy: 1.1573981878853432
Energy: 1.1598126304839151
Energy: 1.157398187881758
Energy: 1.2527149589257023
Energy: 1.0834059183380325
Energy: 1.2527149589257023
Energy: 1.0834059183380325
Energy: 1.2527149589257023
Energy: 1.0834059183380325
Energy: 1.19063916531073
Energy: 1.1136698786749146
Energy: 1.1906528586766711
Energy: 1.1136698786749146
Energy: 1.1906391653143156
Energy: 1.1136698786749146
Energy: 1.1569625587238577
Energy: 1.1201301240080699
Energy: 1.1569625587238577
Energy: 1.1201301240080699
Energy: 1.1569625587238577
Energy: 1.1201301240080699
Energy: 1.1034599012185287
Energy: 1.1817678165479164
Energy: 1.1034599012185287
Energy: 1.1817678165479164
Energy: 1.1034599012221142
Energy: 1.1817678165515018
Energy: 1.1750913273283223
Energy: 1.1599997275420462
Energy: 1.1750913273283223
Energy: 1.1599997275420462
Energy: 1.1750913273283223
Energy: 1.1599997275420462
Energy: 1.1494031831980303
Energy: 1.1596129919156681
Energy: 1.1492820904280348
Energy: 1.1596129919156681
Energy: 1.1494031831980303
Energy: 1.1596129919156681

minimum gb energy = 1.031631615311345 eV
minimum distance =  2.29403578056228 Angstroms
sigma value = 81


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

Energy: 1.27600172011011
Energy: 1.1763435009602647
Energy: 1.2108807574439198
Energy: 1.1763435009597725
Energy: 1.276001720111094
Energy: 1.1763435009597725
Energy: 1.1383558930959894
Energy: 1.10694241212953
Energy: 1.1383558930964814
Energy: 1.1069424121305143
Energy: 1.1383558930964814
Energy: 1.1069424121300222
Energy: 1.2365502649314384
Energy: 1.016010729168337
Energy: 1.236148483787654
Energy: 1.016010729168337
Energy: 1.2365502649309463
Energy: 1.016010729168337
Energy: 1.105513228433878
Energy: 1.1683737178635434
Energy: 1.105513228434862
Energy: 1.1683737178635434
Energy: 1.10551322843437
Energy: 1.1683737178635434
Energy: 1.170464428050449
Energy: 1.046393819761114
Energy: 1.1704644280509413
Energy: 1.0463938197616063
Energy: 1.1704644280509413
Energy: 1.046393819761114
Energy: 1.1113287375862664
Energy: 1.0814502232571384
Energy: 1.1113287375862664
Energy: 1.0814502232571384
Energy: 1.1113287375867584
Energy: 1.0814502232576304
Energy: 1.075490142465996
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Energy: 1.0754525292445345
Energy: 1.081102123979889
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Energy: 1.2626999171395736
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Energy: 1.1144310392285202
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Energy: 1.1003199264212256
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Energy: 1.1003199264212256
Energy: 1.1332281259472758
Energy: 1.173747997313656
Energy: 1.1332281259472758
Energy: 1.173747997314148
Energy: 1.133228125947768
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Energy: 1.1815164822180373
Energy: 1.0156679682248322
Energy: 1.1815164822180373
Energy: 1.0156679682253245
Energy: 1.1815164822190214
Energy: 1.0156679682243401
Energy: 1.2081659920013461
Energy: 1.0400117000025404
Energy: 1.2081659919998697
Energy: 1.0400117000020483
Energy: 1.2081659920028223
Energy: 1.0400117000015563
Energy: 1.164412460467852
Energy: 1.0203895266450183
Energy: 1.164412460467852
Energy: 1.020389526644526
Energy: 1.164412460467852
Energy: 1.020389526644034
Energy: 1.2058052404456645
Energy: 1.082473510929631
Energy: 1.2058052404461568
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Energy: 1.2058052404456645
Energy: 1.0824735109301231
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Energy: 1.0870914159684835
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Energy: 1.0215569009711885
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Energy: 1.0215569009721726
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Energy: 1.0215569009702044
Energy: 1.1685522665467238
Energy: 1.2511507710795098
Energy: 1.16855226654574
Energy: 1.2511507710795098
Energy: 1.168552266546232
Energy: 1.2511507710795098
Energy: 1.0458031731731583
Energy: 1.1731174014156605
Energy: 1.0458031731721742
Energy: 1.1731174014156605
Energy: 1.0458031731726662
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Energy: 1.1479692139330349
Energy: 1.1183938234890396
Energy: 1.086042633144703
Energy: 1.1183938234885473
Energy: 1.147969213933527
Energy: 1.1183938234885473
Energy: 1.150938946364045
Energy: 0.9895058058319887
Energy: 1.085636739342672
Energy: 0.9895058058319887
Energy: 1.1509389463630606
Energy: 0.9895058058324807
Energy: 1.1330334358850944
Energy: 1.1656225122234751
Energy: 1.1330334358850944
Energy: 1.165622512222983
Energy: 1.1330334358846024
Energy: 1.165622512222983
Energy: 1.1679310721355234
Energy: 1.2502033521507514
Energy: 1.1679310721340472
Energy: 1.2502033521517355
Energy: 1.1679310721340472
Energy: 1.2502033521502594
Energy: 1.0205602668290255
Energy: 1.3758517008555442
Energy: 1.0205602668290255
Energy: 1.3758517008555442
Energy: 1.0205602668285334
Energy: 1.3758517008555442
Energy: 1.086975535819839
Energy: 1.10991935546222
Energy: 1.086975535819347
Energy: 1.1099193554602518
Energy: 1.086975535819347
Energy: 1.1099193554612359
Energy: 1.2019571640569837
Energy: 1.0827949978152647
Energy: 1.2029766149540317
Energy: 1.0827949978152647
Energy: 1.2019571640579678
Energy: 1.0827949978152647
Energy: 1.106258847483881
Energy: 1.1333801988566286
Energy: 1.1061278941215367
Energy: 1.1333801988576129
Energy: 1.1062588474828967
Energy: 1.133380198858105
Energy: 1.0158826021634093
Energy: 1.0414408143129343
Energy: 1.0158826021653777
Energy: 1.0414408143129343
Energy: 1.0158826021653777
Energy: 1.0414408143129343
Energy: 1.1715995953766185
Energy: 1.2083635963009156
Energy: 1.1715995953771106
Energy: 1.2083635963004238
Energy: 1.1715995953771106
Energy: 1.2083635963009156
Energy: 1.01980897577664
Energy: 1.1652619929531602
Energy: 1.019808975777624
Energy: 1.1652619929536523
Energy: 1.0198089757771323
Energy: 1.1652619929536523
Energy: 1.0159617002259
Energy: 1.1178026405775772
Energy: 1.015961700226392
Energy: 1.1178026405765928
Energy: 1.015961700226392
Energy: 1.1178026405829904
Energy: 1.0198937736593636
Energy: 1.0090167818852172
Energy: 1.0198937736588716
Energy: 1.0090167818852172
Energy: 1.0198937736593636
Energy: 1.0090167818852172
Energy: 1.152356108056636
Energy: 1.388400236530016
Energy: 1.1523087456178465
Energy: 1.388400236530016
Energy: 1.1523561080581122
Energy: 1.388400236529032
Energy: 1.2512496546537644
Energy: 1.1685111075555816
Energy: 1.2512496546537644
Energy: 1.1685111075545975
Energy: 1.2512496546542564
Energy: 1.1685111075555816
Energy: 1.1060838178946104
Energy: 1.0493082089245738
Energy: 1.1060838178946104
Energy: 1.0493082089245738
Energy: 1.1060838178951025
Energy: 1.04930820892605
Energy: 1.1151045546781244
Energy: 1.0810463676991318
Energy: 1.1151045546786165
Energy: 1.0810463676986397
Energy: 1.1151045546786165
Energy: 1.0810463676991318

minimum gb energy = 0.9895058058319887 eV
minimum distance =  2.3563688073388 Angstroms
sigma value = 43


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

Energy: 1.3363306764538614
Energy: 1.0757283293497957
Energy: 1.3363306764532572
Energy: 1.0757283293497957
Energy: 1.3363306764538614
Energy: 1.0757283293497957
Energy: 1.1505385764686806
Energy: 1.050732587018701
Energy: 1.1505385764686806
Energy: 1.050732587018701
Energy: 1.1505385764668674
Energy: 1.050732587018124
Energy: 1.2010646216593415
Energy: 1.2832736371717666
Energy: 1.2010646216593415
Energy: 1.2832736371717666
Energy: 1.2010646216587368
Energy: 1.2832736371711622
Energy: 1.0546896553091025
Energy: 1.0806306439238693
Energy: 1.054689655308498
Energy: 1.080630643923265
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Energy: 1.0806306439238693
Energy: 1.1581083574065403
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Energy: 1.1581083574065403
Energy: 1.12977690828057
Energy: 1.1581083574065403
Energy: 1.12977690828057
Energy: 1.084874117850288
Energy: 1.128672049202932
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Energy: 1.1286720492035363
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Energy: 1.2081900264175065
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Energy: 1.1577469140496532
Energy: 1.2081900264181111
Energy: 1.0999583049614505
Energy: 1.1321280435161678
Energy: 1.099958304962055
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Energy: 1.0999583049614505
Energy: 1.132128043516772
Energy: 1.2386052654801836
Energy: 1.0254780600574196
Energy: 1.238605265480788
Energy: 1.0254780600574196
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Energy: 1.0254780600574196
Energy: 1.071623699181841
Energy: 1.1352314845563594
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Energy: 1.1352314845563594
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Energy: 1.1352314845557547
Energy: 1.0848540492036973
Energy: 1.0542309560805034
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Energy: 1.0542309560835257
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Energy: 1.0542309560859435
Energy: 1.0999700831702486
Energy: 1.107696363646587
Energy: 1.0999700831708532
Energy: 1.107696363646587
Energy: 1.0999700831708532
Energy: 1.1076963636471917
Energy: 1.191638177303048
Energy: 1.128543039750202
Energy: 1.1916381773018392
Energy: 1.128543039750202
Energy: 1.1916381773024436
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Energy: 1.019808932604514
Energy: 1.2582562240908497
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Energy: 1.2582562240908497
Energy: 1.084608472177633
Energy: 1.1313377908875295
Energy: 1.084608472177633
Energy: 1.1313377908875295
Energy: 1.0846084721782372
Energy: 1.1313377908875295
Energy: 1.1070416372925778
Energy: 1.169742016354806
Energy: 1.1070416372919731
Energy: 1.169742016354806
Energy: 1.107041637293182
Energy: 1.169742016354806
Energy: 1.175739909930828
Energy: 1.049846394717488
Energy: 1.1757399099302237
Energy: 1.049846394717488
Energy: 1.175739909930828
Energy: 1.049846394717488
Energy: 1.221136039001464
Energy: 1.1009527381892106
Energy: 1.221136039001464
Energy: 1.1009527381892106
Energy: 1.221136039001464
Energy: 1.1009527381892106
Energy: 1.2193901069524788
Energy: 1.0807318503817516
Energy: 1.2193901069524788
Energy: 1.080731850382356
Energy: 1.2193901069524788
Energy: 1.0807318503817516
Energy: 1.1767997927906262
Energy: 1.051089417829978
Energy: 1.1767997927900218
Energy: 1.051089417829978
Energy: 1.1767997927900218
Energy: 1.051089417829978
Energy: 1.1068460335500463
Energy: 1.1419476093277783
Energy: 1.1068460335500463
Energy: 1.141947609328383
Energy: 1.1068460335500463
Energy: 1.141947609328383
Energy: 1.2210509965330099
Energy: 1.1361305118272893
Energy: 1.221050996534219
Energy: 1.1361305118272893
Energy: 1.2210509965366367
Energy: 1.1361305118272893
Energy: 1.020033698417005
Energy: 1.178138651515824
Energy: 1.020033698417005
Energy: 1.178138651515824
Energy: 1.020033698417005
Energy: 1.178138651515824
Energy: 1.1925046159058326
Energy: 1.1283712418757077
Energy: 1.192504615906437
Energy: 1.1283712418757077
Energy: 1.192504615906437
Energy: 1.1283712418757077
Energy: 1.0999971898430212
Energy: 1.0788680403271056
Energy: 1.0999971898430212
Energy: 1.0788680403271056
Energy: 1.0999971898430212
Energy: 1.0788680403271056
Energy: 1.2213665572632495
Energy: 1.127321110978437
Energy: 1.2213665572632495
Energy: 1.127321110978437
Energy: 1.2213665572632495
Energy: 1.127321110978437
Energy: 1.1179976892520387
Energy: 1.0506585869805345
Energy: 1.1179976892520387
Energy: 1.0506585869805345
Energy: 1.1179976892526429
Energy: 1.0506585869805345
Energy: 1.157268889740056
Energy: 1.0260010054716426
Energy: 1.157268889740056
Energy: 1.0260010054716426
Energy: 1.1572688897394516
Energy: 1.0260010054716426
Energy: 1.1003423899861615
Energy: 1.1317540444795375
Energy: 1.100342389986766
Energy: 1.1317540444795375
Energy: 1.1003423899861615
Energy: 1.1317540444795375
Energy: 1.1474075924945106
Energy: 1.1571702113534488
Energy: 1.1474075924945106
Energy: 1.1571702113534488
Energy: 1.1474075924945106
Energy: 1.1571702113534488
Energy: 1.0845701182962422
Energy: 1.1286646972604968
Energy: 1.0845701182962422
Energy: 1.1286646972598926
Energy: 1.0845701182962422
Energy: 1.1286646972598926

minimum gb energy = 1.019808932604514 eV
minimum distance =  2.31365010583217 Angstroms
sigma value = 57


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

Energy: 1.2173744068259995
Energy: 1.0452917973353377
Energy: 2.2444181551060005
Energy: 1.0452917973353377
Energy: 1.2173744068259995
Energy: 1.0452917973353377
Energy: 1.1040959841855758
Energy: 0.9876666243701534
Energy: 1.1040959841871412
Energy: 0.9876666243701534
Energy: 1.1040959841855758
Energy: 0.9876666243701534
Energy: 1.1175813710209055
Energy: 1.2320070543079649
Energy: 1.1175813710224707
Energy: 1.2320070543079649
Energy: 1.1175813710224707
Energy: 1.2320070543079649
Energy: 1.114285113577752
Energy: 1.126407055380577
Energy: 1.1142851135785348
Energy: 1.126407055380577
Energy: 1.1142851135793173
Energy: 1.126407055380577
Energy: 1.0884929242022479
Energy: 1.1247658879543196
Energy: 1.0884929242022479
Energy: 1.1247658879551024
Energy: 1.0884929241967698
Energy: 1.1247658879543196
Energy: 1.1208397105312424
Energy: 1.07893603001476
Energy: 1.1208397105328076
Energy: 1.0789360300155424
Energy: 1.1208397105328076
Energy: 1.07893603001476
Energy: 1.1172492773290992
Energy: 1.2044218860005371
Energy: 1.1172492773290992
Energy: 1.2044218860005371
Energy: 1.1172492773290992
Energy: 1.2044218860005371
Energy: 1.114198695963844
Energy: 1.0468684315626062
Energy: 1.114198695963844
Energy: 1.046868431563389
Energy: 1.114198695963844
Energy: 1.0468684315626062
Energy: 1.0856942247316077
Energy: 0.9867036733108963
Energy: 1.0856942247316077
Energy: 0.9867036733108963
Energy: 1.0856942247316077
Energy: 0.9867036733108963
Energy: 0.9695064573989316
Energy: 1.0995126425875388
Energy: 0.9695064573981491
Energy: 1.0995126425875388
Energy: 0.9695064573981491
Energy: 1.0995126425875388
Energy: 1.117203146632326
Energy: 1.1266592939947933
Energy: 1.117203146632326
Energy: 1.126659293995576
Energy: 1.117203146632326
Energy: 1.126659293995576
Energy: 1.090050169856579
Energy: 1.1713001155525526
Energy: 1.090050169856579
Energy: 1.1713001155525526
Energy: 1.0900501698557963
Energy: 1.1713001155525526
Energy: 1.1252099061844072
Energy: 0.9878958760849185
Energy: 1.12520990618519
Energy: 0.9878958760841359
Energy: 1.12520990618519
Energy: 0.9878958760841359
Energy: 1.1131164354336205
Energy: 0.9964308766809787
Energy: 1.1131164354344032
Energy: 0.9964308766809787
Energy: 1.11311643543049
Energy: 0.9964308766809787
Energy: 1.0764837180878613
Energy: 0.9937436765911313
Energy: 1.0764837180870783
Energy: 0.9937436765919138
Energy: 1.0764837180878613
Energy: 0.9937436765911313
Energy: 1.084376629277114
Energy: 1.091442698533897
Energy: 1.084376629277114
Energy: 1.091442698533897
Energy: 1.0843766292763313
Energy: 1.0914426985346797
Energy: 0.9733852070875352
Energy: 1.1034686815482273
Energy: 0.9733852070883177
Energy: 1.1034686815474448
Energy: 0.9733852070875352
Energy: 1.1034686815482273
Energy: 1.1133707318232413
Energy: 0.9688024368505674
Energy: 1.1133707318232413
Energy: 0.968802436849785
Energy: 1.113370731824024
Energy: 0.9688024368505674
Energy: 0.9735832065261886
Energy: 1.1035881932624776
Energy: 0.9735832065261886
Energy: 1.1035881932624776
Energy: 0.9735832065261886
Energy: 1.1035881932624776
Energy: 1.0844174351754783
Energy: 1.0914475182605958
Energy: 1.0844174351754783
Energy: 1.0914475182598131
Energy: 1.0844174351754783
Energy: 1.0914475182598131
Energy: 1.0765861269056045
Energy: 0.9937535269860787
Energy: 1.0765861269063874
Energy: 0.9937535269860787
Energy: 1.0765861269056045
Energy: 0.9937535269852961
Energy: 1.1135617848474977
Energy: 1.1191006268377275
Energy: 1.1135617848623676
Energy: 1.1191006268385102
Energy: 1.113561784931202
Energy: 1.1191006268416406
Energy: 1.1255250192466941
Energy: 0.9876598371073088
Energy: 1.1255250192466941
Energy: 0.9876598371080911
Energy: 1.1255250192466941
Energy: 0.9876598371073088
Energy: 1.0900571099243965
Energy: 1.1707566358414214
Energy: 1.0900571099243965
Energy: 1.1707566358414214
Energy: 1.0900571099243965
Energy: 1.1707566358414214

minimum gb energy = 0.968802436849785 eV
minimum distance =  2.31819206612077 Angstroms
sigma value = 17


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

Energy: 1.159334504018117
Energy: 1.0280034025385456
Energy: 1.159334504019224
Energy: 1.0280034025385456
Energy: 1.159334504019224
Energy: 1.0280034025385456
Energy: 0.9814690584454727
Energy: 0.9734773867590992
Energy: 0.9814690584454727
Energy: 0.9734773867601557
Energy: 0.9814690584454727
Energy: 0.9734773867601557
Energy: 1.1526419675609145
Energy: 1.1666954160738268
Energy: 1.1526419675609145
Energy: 1.1666954160738268
Energy: 1.1526419675609145
Energy: 1.1666954160727199
Energy: 0.9138884274207683
Energy: 1.1034763228852282
Energy: 0.9138884274207683
Energy: 1.1034763228852282
Energy: 0.9138884274207683
Energy: 1.1034763228863351
Energy: 1.0319892596710396
Energy: 1.0646990982788525
Energy: 1.031989259667719
Energy: 1.0646990982788525
Energy: 1.0319892596721465
Energy: 1.0646990982788525
Energy: 1.0146866192275608
Energy: 1.1162355463960298
Energy: 1.0146866192275608
Energy: 1.1162355463960298
Energy: 1.0146866192275608
Energy: 1.116235546394923
Energy: 1.111422886533805
Energy: 0.9742510192577796
Energy: 1.111422886533805
Energy: 0.9742510192588864
Energy: 1.111422886533805
Energy: 0.9742510192588864
Energy: 0.9139657220738596
Energy: 1.095452663702993
Energy: 0.9139657220727531
Energy: 1.0954526637040998
Energy: 0.9139657220749161
Energy: 1.0954526637040998
Energy: 1.059832906430302
Energy: 0.9728849648768224
Energy: 1.059832906430302
Energy: 0.9728849648779292
Energy: 1.059832906430302
Energy: 0.9728849648768224
Energy: 1.0519077491693323
Energy: 0.9837991193191193
Energy: 1.0519077491693323
Energy: 0.9837991193191193
Energy: 1.0519077491704387
Energy: 0.9837991193191193
Energy: 1.0345650887921856
Energy: 1.0962851463933252
Energy: 1.0345650887921856
Energy: 1.0962851463933252
Energy: 1.0345650887921856
Energy: 1.0962851463933252
Energy: 1.0315656760670469
Energy: 0.9735596508364741
Energy: 1.0315656760637268
Energy: 0.9735596508364741
Energy: 1.0315656760670469
Energy: 0.9735596508364741
Energy: 0.9127516204656945
Energy: 1.1149369813577228
Energy: 0.9127516204656945
Energy: 1.1149369813577228
Energy: 0.9127516204668014
Energy: 1.1149369813577228
Energy: 1.0513142736502148
Energy: 1.0689859855509738
Energy: 1.0513142736502148
Energy: 1.0689859855509738
Energy: 1.0513142736502148
Energy: 1.0689859855509738
Energy: 1.0133354064398645
Energy: 0.9802193998182687
Energy: 1.0133354064398645
Energy: 0.9802193998193754
Energy: 1.0133354064420783
Energy: 0.9802193998193754
Energy: 1.013530126507026
Energy: 1.1153317133577634
Energy: 1.0135301265048624
Energy: 1.1153317133577634
Energy: 1.0135301265059693
Energy: 1.1153317133577634
Energy: 1.0490988747269265
Energy: 1.0694008032480167
Energy: 1.0490988747258196
Energy: 1.0694008032480167
Energy: 1.0490988747258196
Energy: 1.0694008032469098

minimum gb energy = 0.9127516204656945 eV
minimum distance =  2.28542095129031 Angstroms
sigma value = 17


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

Energy: 1.056758716579633
Energy: 0.9373911216881738
Energy: 1.056758716579633
Energy: 0.9373911216886012
Energy: 1.056758716579633
Energy: 0.9373911216881738
Energy: 0.9455314155406326
Energy: 0.9034140133861838
Energy: 0.9455314155372133
Energy: 0.9034140133857563
Energy: 0.9455314155499964
Energy: 0.9034140133857563
Energy: 1.015815063767754
Energy: 0.9777787136866484
Energy: 1.015815063767754
Energy: 0.9777787136866484
Energy: 1.015815063767754
Energy: 0.9777787136866484
Energy: 0.8669528139438606
Energy: 0.9952767331616634
Energy: 0.866952813943433
Energy: 0.9952767331620908
Energy: 0.866952813943433
Energy: 0.9952767331616634
Energy: 1.0544440301623073
Energy: 0.8965453485480565
Energy: 1.0544440301614524
Energy: 0.8965453485480565
Energy: 1.0544440301618798
Energy: 0.896545348548484
Energy: 0.9659251596046582
Energy: 0.9855691562108622
Energy: 0.9659251596046582
Energy: 0.9855691562108622
Energy: 0.9659251596042308
Energy: 0.9855691562112897
Energy: 0.9513316130619607
Energy: 0.9199590084148133
Energy: 0.951331613060251
Energy: 0.9199590084160953
Energy: 0.9513316130606784
Energy: 0.9199590084148133
Energy: 0.9416959712994096
Energy: 1.0394817304705186
Energy: 0.9416959712985549
Energy: 1.0394817304692365
Energy: 0.9416959713011193
Energy: 1.0394817304688089
Energy: 0.9600050933730221
Energy: 1.0046347903906832
Energy: 0.9600050933717399
Energy: 1.0046347903902557
Energy: 0.9600050933725947
Energy: 1.0046347903906832
Energy: 0.9491155313427132
Energy: 0.8469444866524616
Energy: 0.9491155313431406
Energy: 0.8469444866528889
Energy: 0.9491155313427132
Energy: 0.8469444866524616
Energy: 0.8683404529851583
Energy: 1.0206730776607018
Energy: 0.8683404529847307
Energy: 1.020673077658992
Energy: 0.868340452986013
Energy: 1.0206730776581372
Energy: 1.0188569846590492
Energy: 0.9230894824945933
Energy: 1.0188569846594768
Energy: 0.9230894824950208
Energy: 1.0188569846594768
Energy: 0.9230894824941659
Energy: 0.9689823089515082
Energy: 0.9256823934324592
Energy: 0.9689823089515082
Energy: 0.9256823934324592
Energy: 0.9689823089515082
Energy: 0.9256823934324592
Energy: 0.9520092146985849
Energy: 1.0195519501791008
Energy: 0.9520092146981575
Energy: 1.0195519501786734
Energy: 0.9520092146977301
Energy: 1.0195519501786734
Energy: 0.9794261404033624
Energy: 0.9227221143677792
Energy: 0.9794261404033624
Energy: 0.9227221143699162
Energy: 0.9794261404033624
Energy: 0.9227221143690615
Energy: 0.8666857380019848
Energy: 1.0275948911894746
Energy: 0.8666857380024121
Energy: 1.0275948911886197
Energy: 0.8666857380019848
Energy: 1.0275948911903294
Energy: 0.968213323685832
Energy: 0.9530181768970086
Energy: 0.968213323685832
Energy: 0.9530181768970086
Energy: 0.968213323685832
Energy: 0.9530181768970086
Energy: 0.9740635781944593
Energy: 1.003165155169815
Energy: 0.9740635781944593
Energy: 1.0031651551689604
Energy: 0.9740635781944593
Energy: 1.0031651551689604
Energy: 0.942562651037848
Energy: 0.9891093323858161
Energy: 0.9425626510412671
Energy: 0.9891093323853888
Energy: 0.9425626510404123
Energy: 0.9891093323866709
Energy: 0.9671527267308218
Energy: 0.8599936217051037
Energy: 0.9671527267303944
Energy: 0.8599936217051037
Energy: 0.9671527267303944
Energy: 0.8599936217051037
Energy: 0.9427303915441302
Energy: 0.9922723901494443
Energy: 0.9427303915449851
Energy: 0.9922723901494443
Energy: 0.9427303915441302
Energy: 0.9922723901490169
Energy: 0.973645639748445
Energy: 1.0031313117628111
Energy: 0.9736456397488725
Energy: 1.0031313117615288
Energy: 0.9736456397492999
Energy: 1.0031313117611014
Energy: 0.9684802736377134
Energy: 0.9530931351183891
Energy: 0.9684802736377134
Energy: 0.9530931351183891
Energy: 0.9684802736372861
Energy: 0.9530931351183891
Energy: 0.8666885381185202
Energy: 1.0596760041389452
Energy: 0.8666885381189476
Energy: 1.0596760041385178
Energy: 0.8666885381198025
Energy: 1.0596760041380906
Energy: 0.9804540475658833
Energy: 0.923365946108743
Energy: 0.9804540475663107
Energy: 0.923365946108743
Energy: 0.9804540475658833
Energy: 0.923365946108743
Energy: 0.9519523950960045
Energy: 1.0195395326555696
Energy: 0.9519523950955772
Energy: 1.019539532655997
Energy: 0.9519523950960045
Energy: 1.0195395326564245
Energy: 0.9692265159106186
Energy: 0.9251008630692326
Energy: 0.969226515911046
Energy: 0.9251008630696599
Energy: 0.969226515911046
Energy: 0.9251008630692326
Energy: 1.0188811205833388
Energy: 0.9229816221867815
Energy: 1.0188811205837662
Energy: 0.9229816221884911
Energy: 1.0188811205833388
Energy: 0.9229816221880638
Energy: 0.8683097595825127
Energy: 1.0201759911313686
Energy: 0.8683097595825127
Energy: 1.020175991130514
Energy: 0.8683097595833675
Energy: 1.0201759911300863
Energy: 0.9492284588218747
Energy: 0.8474162777710891
Energy: 0.949228458822302
Energy: 0.8474162777706619
Energy: 0.949228458822302
Energy: 0.8474162777706619
Energy: 0.9602137384812178
Energy: 1.0048304382297504
Energy: 0.9602137384812178
Energy: 1.0048304382297504
Energy: 0.9602137384812178
Energy: 1.0048304382301776
Energy: 0.9419651772426859
Energy: 1.0365909999660392
Energy: 0.9419651772401216
Energy: 1.036590999965612
Energy: 0.9419651772405491
Energy: 1.0365909999651846
Energy: 0.9505005955028348
Energy: 0.9202194500026089
Energy: 0.9505005955062541
Energy: 0.9202194500030364
Energy: 0.9505005955058268
Energy: 0.9202194500026089
Energy: 0.9659276454046765
Energy: 0.9134845782803875
Energy: 0.9659276454046765
Energy: 0.9134845782803875
Energy: 0.9659276454051039
Energy: 0.9134845782803875
Energy: 1.0543897055251559
Energy: 0.8962272663187402
Energy: 1.0543897055255833
Energy: 0.8962272663200224
Energy: 1.0543897055251559
Energy: 0.8962272663195949
Energy: 0.8668434343009672
Energy: 0.9748548786016242
Energy: 0.8668434343013945
Energy: 0.9748548786020518
Energy: 0.8668434343009672
Energy: 0.9748548786016242
Energy: 1.0160445843226251
Energy: 0.9781039966422399
Energy: 1.0160445843226251
Energy: 0.9781039966422399
Energy: 1.0160445843226251
Energy: 0.9781039966422399
Energy: 0.9453201525943562
Energy: 0.8980956217024749
Energy: 0.9453201525969206
Energy: 0.8980956217029022
Energy: 0.9453201525964932
Energy: 0.8980956217024749
Energy: 1.056758716579633
Energy: 0.9373911216881738
Energy: 1.056758716579633
Energy: 0.9373911216881738
Energy: 1.056758716579633
Energy: 0.9373911216886012
Energy: 0.9455314155474709
Energy: 0.9069528257521496
Energy: 0.9455314155423422
Energy: 0.9069528257517223
Energy: 0.9455314155444791
Energy: 0.9069528257521496
Energy: 1.0158150637681813
Energy: 0.9777787136875032
Energy: 1.015815063767754
Energy: 0.9777787136875032
Energy: 1.015815063767754
Energy: 0.9777787136875032
Energy: 0.866952813943433
Energy: 0.9528999734488862
Energy: 0.866952813943433
Energy: 0.9528999734488862
Energy: 0.866952813943433
Energy: 0.9528999734488862
Energy: 1.0544440301614524
Energy: 0.8965453485459196
Energy: 1.0544440301623073
Energy: 0.8965453485454922
Energy: 1.0544440301623073
Energy: 0.8965453485459196

minimum gb energy = 0.8469444866524616 eV
minimum distance =  2.32001971410561 Angstroms
sigma value = 57


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

Energy: 0.888869617204856
Energy: 0.8725917813612224
Energy: 0.888869617204856
Energy: 0.8725917813626142
Energy: 0.8888696172041601
Energy: 0.8725917813619184
Energy: 0.9958246134971457
Energy: 0.8435491463257457
Energy: 0.9958246134978418
Energy: 0.8435491463264418
Energy: 0.9958246134985376
Energy: 0.8435491463257457
Energy: 0.9900346282226755
Energy: 0.9165428308029672
Energy: 0.9900346282233713
Energy: 0.9165428308036631
Energy: 0.9900346282226755
Energy: 0.9165428308029672
Energy: 0.826225833459582
Energy: 0.9148092190152604
Energy: 0.8262258334623657
Energy: 0.9148092190152604
Energy: 0.8262258334630616
Energy: 0.9148092190159565
Energy: 0.9684903062249367
Energy: 0.7981051411510874
Energy: 0.9684903062249367
Energy: 0.7981051411510874
Energy: 0.9684903062256326
Energy: 0.7981051411503914
Energy: 0.9146967472391799
Energy: 0.8557145290661153
Energy: 0.9146967472391799
Energy: 0.8557145290661153
Energy: 0.914696747239876
Energy: 0.8557145290661153
Energy: 0.8204327733223262
Energy: 0.8902699314275259
Energy: 0.8204327733216301
Energy: 0.8902699314296137
Energy: 0.8204327733223262
Energy: 0.8902699314275259
Energy: 1.07803357216929
Energy: 0.8756484205797762
Energy: 1.0780335721699859
Energy: 0.8756484205791435
Energy: 1.07803357216929
Energy: 0.8756484205791435
Energy: 0.8471873483700876
Energy: 0.8575891609291196
Energy: 0.8471873483693918
Energy: 0.8575891609291196
Energy: 0.8471873483693918
Energy: 0.8575891609298156
Energy: 0.877973598604188
Energy: 0.8638240280563155
Energy: 0.8779735986034923
Energy: 0.8638240280563155
Energy: 0.877973598604188
Energy: 0.8638240280556196
Energy: 0.8095933404686927
Energy: 1.0652940598745406
Energy: 0.8095933404673008
Energy: 1.0652940598752365
Energy: 0.8095933404693887
Energy: 1.0652940598752365
Energy: 0.8772957643487965
Energy: 0.8158749757434214
Energy: 0.8772957643494923
Energy: 0.8158749757441174
Energy: 0.8772957643487965
Energy: 0.8158749757455093
Energy: 0.8765305481565854
Energy: 0.9291931406973886
Energy: 0.8765305481558894
Energy: 0.9291931406973886
Energy: 0.8765305481565854
Energy: 0.9291931406973886
Energy: 0.8234698977029874
Energy: 0.9024458633156289
Energy: 0.8234698977022915
Energy: 0.9024458633149329
Energy: 0.8234698977022915
Energy: 0.9024458633156289
Energy: 0.9474544235501898
Energy: 0.8698956579843334
Energy: 0.9474544235501898
Energy: 0.8698956579843334
Energy: 0.9474544235501898
Energy: 0.8698956579836374
Energy: 0.8742025014227689
Energy: 0.9607889086998226
Energy: 0.8742025014227689
Energy: 0.9607889086998226
Energy: 0.8742025014220731
Energy: 0.9607889087005185
Energy: 0.8880438832966135
Energy: 0.9755746710479742
Energy: 0.8880438832959177
Energy: 0.9755746710479742
Energy: 0.8880438832945259
Energy: 0.9755746710479742
Energy: 0.9232137225954015
Energy: 0.9691086073589429
Energy: 0.9232137225947056
Energy: 0.9691086073589429
Energy: 0.9232137225940097
Energy: 0.9691086073582471
Energy: 0.8239595489211887
Energy: 1.027125372478841
Energy: 0.8239595489211887
Energy: 1.027125372478841
Energy: 0.8239595489211887
Energy: 1.027125372478841
Energy: 0.8244825532322159
Energy: 0.9152164682567687
Energy: 0.8244825532322159
Energy: 0.9152164682567687
Energy: 0.8244825532315199
Energy: 0.9152164682560728
Energy: 0.9033543102927973
Energy: 0.9325813964097684
Energy: 0.9033543102907096
Energy: 0.9325813964076806
Energy: 0.9033543102893177
Energy: 0.9325813964111602
Energy: 0.8094964580461269
Energy: 1.0311866449408096
Energy: 0.809496458044735
Energy: 1.0311866449415055
Energy: 0.809496458044735
Energy: 1.0311866449415055
Energy: 0.900519489314484
Energy: 0.8767603244866182
Energy: 0.9005194893151166
Energy: 0.8767603244873141
Energy: 0.9005194893151166
Energy: 0.8767603244866182
Energy: 0.8759893355381565
Energy: 1.0315698974358831
Energy: 0.8759893355374606
Energy: 1.0315698974358831
Energy: 0.8759893355381565
Energy: 1.0315698974358831
Energy: 0.8765070986347598
Energy: 1.084024979159268
Energy: 0.876507098635456
Energy: 1.084024979159268
Energy: 0.8765070986360886
Energy: 1.0840249791599639
Energy: 0.8733022038803081
Energy: 0.8761428718313062
Energy: 0.8733022038796121
Energy: 0.8761428718313062
Energy: 0.8733022038796121
Energy: 0.8761428718313062
Energy: 0.8094562864105015
Energy: 1.0266641802406498
Energy: 0.8094562864111975
Energy: 1.0266641802413454
Energy: 0.8094562864098057
Energy: 1.0266641802406498

minimum gb energy = 0.7981051411503914 eV
minimum distance =  2.28151652357279 Angstroms
sigma value = 43


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

Energy: 0.8456272160558549
Energy: 0.8004880676385062
Energy: 0.8456272160543337
Energy: 0.8004880676390131
Energy: 0.8456272160553479
Energy: 0.8004880676385062
Energy: 0.8613707388351268
Energy: 0.8091305976958388
Energy: 0.8613707388351268
Energy: 0.8091305976958388
Energy: 0.8613707388351268
Energy: 0.8091305976958388
Energy: 0.8742771204290519
Energy: 0.8523588422357091
Energy: 0.874277120429559
Energy: 0.8523588422357091
Energy: 0.8742771204290519
Energy: 0.852358842236216
Energy: 0.8983287212835953
Energy: 0.8125256686406459
Energy: 0.8983287212835953
Energy: 0.8125256686411528
Energy: 0.8983287212835953
Energy: 0.8125256686411528
Energy: 0.8531106411714134
Energy: 0.7691996699124903
Energy: 0.8531106411719207
Energy: 0.7691996699124903
Energy: 0.8531106411709065
Energy: 0.7691996699129974
Energy: 0.7954672189035584
Energy: 0.7820975233256734
Energy: 0.7954672189040654
Energy: 0.7820975233251664
Energy: 0.7954672189040654
Energy: 0.7820975233241523
Energy: 0.737135821053947
Energy: 0.7870850325072655
Energy: 0.737135821053947
Energy: 0.7870850325087867
Energy: 0.737135821054961
Energy: 0.7870850325067584
Energy: 0.8530540580543103
Energy: 0.7573873725640713
Energy: 0.8530540580538032
Energy: 0.7573873725635643
Energy: 0.8530540580548173
Energy: 0.7573873725645784
Energy: 0.7560574321421532
Energy: 0.771994690964612
Energy: 0.7560574321426603
Energy: 0.771994690964105
Energy: 0.7560574321426603
Energy: 0.771994690964105
Energy: 0.8646279383975697
Energy: 0.7504696095613209
Energy: 0.8646279383975697
Energy: 0.750469609561828
Energy: 0.8646279383970626
Energy: 0.750469609561828
Energy: 0.9231741814583351
Energy: 0.9106285025572484
Energy: 0.9231741814583351
Energy: 0.9106285025572484
Energy: 0.9231741814583351
Energy: 0.9106285025577554
Energy: 0.730779936730706
Energy: 0.7697477124314059
Energy: 0.730779936730706
Energy: 0.7697477124324201
Energy: 0.7307799367301989
Energy: 0.7697477124314059
Energy: 0.8633933339223908
Energy: 0.7191336103207174
Energy: 0.8633933339223908
Energy: 0.7191336103191964
Energy: 0.8633933339228979
Energy: 0.7191336103207174
Energy: 0.9206126631941703
Energy: 0.9132651363282751
Energy: 0.9206126631941703
Energy: 0.9132651363287821
Energy: 0.9206126631946775
Energy: 0.9132651363282751
Energy: 0.7499372168699497
Energy: 0.7704396443088009
Energy: 0.7499372168694427
Energy: 0.7704396443093079
Energy: 0.7499372168694427
Energy: 0.7704396443088009
Energy: 0.8166669144285057
Energy: 0.7907082764513718
Energy: 0.8166669144279984
Energy: 0.7907082764518788
Energy: 0.8166669144285057
Energy: 0.7907082764513718
Energy: 0.9348227555536548
Energy: 0.9113440246576432
Energy: 0.9348227555531476
Energy: 0.911344024657136
Energy: 0.9348227555536548
Energy: 0.9113440246576432
Energy: 0.7686953950035007
Energy: 0.7701713740450346
Energy: 0.7686953950045149
Energy: 0.7701713740440205
Energy: 0.7686953950050219
Energy: 0.7701713740450346
Energy: 0.7853109894643371
Energy: 0.8587220469451832
Energy: 0.7853109894648442
Energy: 0.8587220469446761
Energy: 0.7853109894648442
Energy: 0.8587220469446761
Energy: 0.8170246254818178
Energy: 0.8366714179922531
Energy: 0.8170246254818178
Energy: 0.836671417991746
Energy: 0.8170246254823248
Energy: 0.8366714179922531
Energy: 0.8367579209131039
Energy: 0.7837566688306291
Energy: 0.8367579209120899
Energy: 0.7837566688286011
Energy: 0.8367579209131039
Energy: 0.7837566688296151
Energy: 0.807119352695007
Energy: 0.8527030390515746
Energy: 0.807119352695007
Energy: 0.8527030390520817
Energy: 0.807119352695007
Energy: 0.8527030390515746
Energy: 0.8151256821097314
Energy: 0.8520104589497056
Energy: 0.8151256821097314
Energy: 0.8520104589491985
Energy: 0.8151256821107454
Energy: 0.8520104589497056
Energy: 0.8882735180195372
Energy: 0.7858497796101421
Energy: 0.8882735180195372
Energy: 0.7858497796101421
Energy: 0.8882735180205512
Energy: 0.785849779609635
Energy: 0.7386551841171339
Energy: 0.8342565904077304
Energy: 0.73865518411612
Energy: 0.8342565904067161
Energy: 0.7386551841171339
Energy: 0.8342565904067161
Energy: 0.7624119868112891
Energy: 0.811687941230867
Energy: 0.762411986810782
Energy: 0.8116879412313741
Energy: 0.762411986810782
Energy: 0.811687941230867
Energy: 0.7895779855570968
Energy: 0.7590297285888394
Energy: 0.7895779855576038
Energy: 0.7590297285873184
Energy: 0.7895779855570968
Energy: 0.7590297285883325
Energy: 0.7351831401868884
Energy: 0.8306644623916346
Energy: 0.7351831401868884
Energy: 0.8306644623906206
Energy: 0.7351831401863812
Energy: 0.8306644623911277
Energy: 0.7621352559733012
Energy: 0.759200103789865
Energy: 0.7621352559733012
Energy: 0.759200103790372
Energy: 0.7621352559727942
Energy: 0.759200103789865
Energy: 0.745117944859393
Energy: 0.970826536718882
Energy: 0.745117944859393
Energy: 0.970826536718882
Energy: 0.745117944859393
Energy: 0.970826536718882
Energy: 0.7549842803708711
Energy: 0.8279305461673923
Energy: 0.7549842803708711
Energy: 0.8279305461673923
Energy: 0.7549842803698571
Energy: 0.8279305461678995
Energy: 0.7628510815781279
Energy: 0.7354550321415335
Energy: 0.762851081578635
Energy: 0.7354550321410265
Energy: 0.7628510815781279
Energy: 0.7354550321420407
Energy: 0.7265375638008044
Energy: 0.8343383352195338
Energy: 0.7265375638013114
Energy: 0.834338335220548
Energy: 0.7265375638008044
Energy: 0.834338335220041
Energy: 0.9202579517374606
Energy: 0.9286401828265283
Energy: 0.9202579517374606
Energy: 0.9286401828265283
Energy: 0.9202579517374606
Energy: 0.9286401828275423
Energy: 0.7643823256592409
Energy: 0.7197043981830447
Energy: 0.764382325659748
Energy: 0.7197043981820305
Energy: 0.764382325659748
Energy: 0.7197043981825377
Energy: 0.6802133791971965
Energy: 0.8327081321540958
Energy: 0.6802133791977035
Energy: 0.8327081321546028
Energy: 0.6802133791971965
Energy: 0.8327081321535889

minimum gb energy = 0.6802133791971965 eV
minimum distance =  2.27485273448717 Angstroms
sigma value = 81


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

Energy: 0.3459156699683316
Energy: 0.3991931459329725
Energy: 0.05821652717372474
Energy: 0.3991931459329725
Energy: 0.3459156699683316
Energy: 0.3991931459329725
Energy: 0.8382272878049298
Energy: 0.059648067070533495
Energy: 0.8382272878049298
Energy: 0.059648067070533495
Energy: 0.8382272878049298
Energy: 0.059648067070533495
Energy: 0.7688003432086774
Energy: 0.05874397358441535
Energy: 0.7688003432086774
Energy: 0.05874397358441535
Energy: 0.7688003432086774
Energy: 0.05874397358441535
Energy: 0.05821652717372474
Energy: 0.3991931459329725
Energy: 0.05821652717372474
Energy: 0.3991931459329725
Energy: 0.05821652717372474
Energy: 0.3991931459329725
Energy: 0.8382272878049298
Energy: 0.05964806704072556
Energy: 0.8382272878049298
Energy: 0.05964806704072556
Energy: 0.8382272878049298
Energy: 0.059648067042588564
Energy: 0.7688003432086774
Energy: 0.05874397358441535
Energy: 0.7688003432086774
Energy: 0.05874397358441535
Energy: 0.7688003432086774
Energy: 0.05874397358441535
Energy: 0.3459156699683316
Energy: 0.3991931459329725
Energy: 0.05821652717372474
Energy: 0.3991931459329725
Energy: 0.3459156699683316
Energy: 0.3991931459329725
Energy: 0.8382272878049298
Energy: 0.059648067020232606
Energy: 0.8382272878049298
Energy: 0.0596480670220956
Energy: 0.8382272878049298
Energy: 0.0596480670220956
Energy: 0.7688003432086774
Energy: 0.05874397358441535
Energy: 0.7688003432086774
Energy: 0.05874397358441535
Energy: 0.7688003432086774
Energy: 0.05874397358441535
Energy: 0.05821652717372474
Energy: 0.3991931459329725
Energy: 0.05821652717372474
Energy: 0.3991931459329725
Energy: 0.05821652717372474
Energy: 0.3991931459329725

minimum gb energy = 0.05821652717372474 eV
minimum distance =  2.4435900916361 Angstroms
sigma value = 3


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

Energy: 0.8621409627650277
Energy: 0.7495380640980371
Energy: 0.8621409627644703
Energy: 0.7495380640985947
Energy: 0.8621409627650277
Energy: 0.7495380640974796
Energy: 0.7432043985793589
Energy: 0.7504700107875432
Energy: 0.7432043985799165
Energy: 0.7504700107875432
Energy: 0.7432043985799165
Energy: 0.7504700107875432
Energy: 0.7588813998370868
Energy: 0.7508575775446372
Energy: 0.7588813998376444
Energy: 0.7508575775446372
Energy: 0.7588813998370868
Energy: 0.7508575775446372
Energy: 0.8190560207919432
Energy: 0.7911285779370969
Energy: 0.8190560207913856
Energy: 0.7911285779376543
Energy: 0.8190560207913856
Energy: 0.7911285779370969
Energy: 0.6450223307157511
Energy: 0.755546189782669
Energy: 0.6450223307157511
Energy: 0.7555461897832265
Energy: 0.6450223307163087
Energy: 0.755546189782669
Energy: 0.7624046186726651
Energy: 0.7676400950189312
Energy: 0.7624046186721076
Energy: 0.7676400950189312
Energy: 0.7624046186721076
Energy: 0.7676400950189312
Energy: 0.7582872247701132
Energy: 0.7347930746889728
Energy: 0.7582872247695557
Energy: 0.7347930746873003
Energy: 0.7582872247701132
Energy: 0.7347930746889728
Energy: 0.6408239624653179
Energy: 0.7551691840072704
Energy: 0.6408239624647604
Energy: 0.7551691840072704
Energy: 0.6408239624647604
Energy: 0.7551691840072704
Energy: 0.7734773845262615
Energy: 0.7724654992387268
Energy: 0.773477384525704
Energy: 0.7724654992387268
Energy: 0.773477384525704
Energy: 0.7724654992387268
Energy: 0.7245916393173386
Energy: 0.6791426973380609
Energy: 0.7245916393173386
Energy: 0.6791426973375033
Energy: 0.7245916393173386
Energy: 0.6791426973386183
Energy: 0.6776778232930724
Energy: 0.7538773191550827
Energy: 0.6776778232919574
Energy: 0.7538773191550827
Energy: 0.6776778232919574
Energy: 0.7538773191550827
Energy: 0.7918715280707677
Energy: 0.8031774593574239
Energy: 0.7918715280702101
Energy: 0.8031774593579815
Energy: 0.7918715280707677
Energy: 0.8031774593574239
Energy: 0.7522222107181984
Energy: 0.6475180577472459
Energy: 0.7522222107170834
Energy: 0.647518057746131
Energy: 0.752222210717641
Energy: 0.6475180577466884
Energy: 0.7037710962622444
Energy: 0.7891919206106051
Energy: 0.7037710962622444
Energy: 0.7891919206094901
Energy: 0.7037710962616869
Energy: 0.7891919206106051
Energy: 0.7618270844564312
Energy: 0.782150418803452
Energy: 0.7618270844569888
Energy: 0.7821504188040095
Energy: 0.7618270844569888
Energy: 0.7821504188040095
Energy: 0.7716895147719511
Energy: 0.640958063392673
Energy: 0.7716895147713936
Energy: 0.6409580633932306
Energy: 0.7716895147713936
Energy: 0.6409580633910512
Energy: 0.7506332727270183
Energy: 0.813792956501105
Energy: 0.7506332727270183
Energy: 0.813792956501105
Energy: 0.7506332727270183
Energy: 0.813792956501105
Energy: 0.7548937395792419
Energy: 0.7529396168582633
Energy: 0.7548937395786843
Energy: 0.7529396168582633
Energy: 0.7548937395786843
Energy: 0.7529396168582633
Energy: 0.7730438046214921
Energy: 0.7244680691597805
Energy: 0.7730438046214921
Energy: 0.7244680691597805
Energy: 0.7730438046214921
Energy: 0.7244680691597805
Energy: 0.7406407383919548
Energy: 0.8633955474151781
Energy: 0.7406407383925123
Energy: 0.8633955474151781
Energy: 0.7406407383919548
Energy: 0.8633955474157355
Energy: 0.7947015279283717
Energy: 0.7481125149538208
Energy: 0.7947015279278141
Energy: 0.7481125149538208
Energy: 0.7947015279272567
Energy: 0.7481125149538208
Energy: 0.7699581163700868
Energy: 0.737346440835851
Energy: 0.7699581163700868
Energy: 0.737346440835851
Energy: 0.7699581163700868
Energy: 0.737346440835851
Energy: 0.7511592739021627
Energy: 0.7705167732964933
Energy: 0.7511592739021627
Energy: 0.7705167732970508
Energy: 0.7511592739021627
Energy: 0.7705167732964933
Energy: 0.7642606994652759
Energy: 0.7307486268222403
Energy: 0.7642606994658334
Energy: 0.7307486268222403
Energy: 0.7642606994658334
Energy: 0.7307486268222403
Energy: 0.7694099298628154
Energy: 0.7645740400662393
Energy: 0.7694099298628154
Energy: 0.7645740400656819
Energy: 0.7694099298628154
Energy: 0.7645740400667969
Energy: 0.7238467889960011
Energy: 0.7724316063235543
Energy: 0.7238467889954435
Energy: 0.7724316063240612
Energy: 0.7238467889954435
Energy: 0.7724316063235543
Energy: 0.8333457735349818
Energy: 0.6467527524306853
Energy: 0.8333457735349818
Energy: 0.6467527524312428
Energy: 0.8333457735344243
Energy: 0.6467527524312428
Energy: 0.7626187813579266
Energy: 0.7778618610150565
Energy: 0.7626187813584842
Energy: 0.777861861015614
Energy: 0.7626187813590417
Energy: 0.7778618610150565
Energy: 0.7022603461946473
Energy: 0.752373134560255
Energy: 0.7022603461952048
Energy: 0.7523731345596976
Energy: 0.7022603461946473
Energy: 0.752373134560255
Energy: 0.8508683451648742
Energy: 0.687127551848332
Energy: 0.8508683451648742
Energy: 0.687127551848332
Energy: 0.8508683451648742
Energy: 0.687127551848332
Energy: 0.797061391720163
Energy: 0.7725032948988227
Energy: 0.7970613917207205
Energy: 0.7725032948988227
Energy: 0.7970613917207205
Energy: 0.7725032948988227
Energy: 0.6753275348734044
Energy: 0.7364244503301351
Energy: 0.6753275348734044
Energy: 0.7364244503295776
Energy: 0.6753275348734044
Energy: 0.7364244503306927
Energy: 0.7787146199213326
Energy: 0.745937896238102
Energy: 0.7787146199218902
Energy: 0.745937896238102
Energy: 0.7787146199218902
Energy: 0.7459378962386087

minimum gb energy = 0.6408239624647604 eV
minimum distance =  2.33535794965653 Angstroms
sigma value = 67


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

Energy: 1.0070727589467847
Energy: 0.9179212856542195
Energy: 1.0070727589483737
Energy: 0.9179212856542195
Energy: 1.0070727589467847
Energy: 0.9179212856550136
Energy: 0.9001214173033526
Energy: 0.9220735744089075
Energy: 0.9001214173025583
Energy: 0.9220735744089075
Energy: 0.9001214173033526
Energy: 0.9220735744089075
Energy: 0.9424596907414257
Energy: 0.9446079639933288
Energy: 0.9424596907406313
Energy: 0.9446079639925344
Energy: 0.9424596907406313
Energy: 0.9446079639925344
Energy: 0.9633589045707266
Energy: 0.8902168541404365
Energy: 0.9633589045707266
Energy: 0.8902168541404365
Energy: 0.9633589045707266
Energy: 0.8902168541412308
Energy: 0.8026457925392633
Energy: 0.8768798963114167
Energy: 0.8026457925392633
Energy: 0.8768798963114167
Energy: 0.8026457925392633
Energy: 0.8768798963114167
Energy: 0.9421060283696429
Energy: 0.9322338469074833
Energy: 0.9421060283688485
Energy: 0.9322338469074833
Energy: 0.9421060283696429
Energy: 0.9322338469074833
Energy: 0.9448255165872183
Energy: 0.8668948726853054
Energy: 0.9448255165880128
Energy: 0.8668948726876886
Energy: 0.9448255165872183
Energy: 0.8668948726884829
Energy: 0.8674264885820776
Energy: 0.8682796266244484
Energy: 0.867426488581283
Energy: 0.8682796266244484
Energy: 0.8674264885820776
Energy: 0.8682796266244484
Energy: 0.964845219309987
Energy: 0.9798213572917994
Energy: 0.964845219309987
Energy: 0.9798213572925938
Energy: 0.9648452193091928
Energy: 0.9798213572917994
Energy: 0.9203679213480732
Energy: 0.8233205340676757
Energy: 0.9203679213488677
Energy: 0.8233205340676757
Energy: 0.9203679213480732
Energy: 0.8233205340684701
Energy: 0.913001958502403
Energy: 0.9389998788598968
Energy: 0.913001958502403
Energy: 0.9389998788606911
Energy: 0.913001958502403
Energy: 0.9389998788606911
Energy: 0.8940637552520365
Energy: 0.9364009434033251
Energy: 0.8940637552528309
Energy: 0.9364009434033251
Energy: 0.8940637552520365
Energy: 0.9364009434033251
Energy: 0.9189769039121014
Energy: 0.8827521516031627
Energy: 0.9189769039128959
Energy: 0.8827521516031627
Energy: 0.9189769039128959
Energy: 0.8827521516023683
Energy: 0.8981112376837194
Energy: 0.9470130976486745
Energy: 0.8981112376821304
Energy: 0.9470130976478799
Energy: 0.8981112376829248
Energy: 0.9470130976478799
Energy: 0.9067000952200306
Energy: 0.8952808283558104
Energy: 0.9067000952200306
Energy: 0.895280828355016
Energy: 0.9067000952200306
Energy: 0.8952808283558104
Energy: 0.9617951777294268
Energy: 0.9127782125276374
Energy: 0.9617951777310155
Energy: 0.9127782125276374
Energy: 0.9617951777294268
Energy: 0.9127782125276374
Energy: 0.9225918342552785
Energy: 0.9502552726380045
Energy: 0.9225918342552785
Energy: 0.950255272638799
Energy: 0.9225918342552785
Energy: 0.9502552726380045
Energy: 0.9364367876067081
Energy: 0.8772805387057417
Energy: 0.9364367876067081
Energy: 0.8772805387049474
Energy: 0.9364367876067081
Energy: 0.8772805387057417
Energy: 0.9375915324065978
Energy: 0.9535037278370666
Energy: 0.9375915324058035
Energy: 0.9535037278362721
Energy: 0.9375915324065978
Energy: 0.9535037278362721
Energy: 0.8095996578072973
Energy: 0.9447452578794624
Energy: 0.8095996578080916
Energy: 0.9447452578802567
Energy: 0.8095996578080916
Energy: 0.9447452578794624
Energy: 0.9764918912878825
Energy: 0.884693976783407
Energy: 0.9764918912878825
Energy: 0.884693976783407
Energy: 0.9764918912870879
Energy: 0.884693976783407
Energy: 0.9703784392265473
Energy: 0.9877204306847819
Energy: 0.9703784392265473
Energy: 0.9877204306839874
Energy: 0.970378439225753
Energy: 0.9877204306847819
Energy: 0.8506288912521874
Energy: 0.9452980850409551
Energy: 0.8506288912521874
Energy: 0.9452980850417495
Energy: 0.8506288912521874
Energy: 0.9452980850417495

minimum gb energy = 0.8026457925392633 eV
minimum distance =  2.33077243087988 Angstroms
sigma value = 33


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

Energy: 1.155296183797935
Energy: 1.0407469603159676
Energy: 1.1053262723477915
Energy: 1.0407469603164716
Energy: 1.155296183797935
Energy: 1.0407469603164716
Energy: 1.0361658917944916
Energy: 1.093794629146177
Energy: 1.0361658917944916
Energy: 1.093794629145673
Energy: 1.0361658917944916
Energy: 1.093794629145673
Energy: 1.0621009558050318
Energy: 1.0730932383256706
Energy: 1.0621009558060397
Energy: 1.0730932383251666
Energy: 1.0621009558050318
Energy: 1.0730932383246627
Energy: 1.0505514441834034
Energy: 1.0339514792155444
Energy: 1.0505514441834034
Energy: 1.0339514792160485
Energy: 1.0505514441834034
Energy: 1.0339514792155444
Energy: 1.025972946927131
Energy: 1.0166845996105887
Energy: 1.025972946927131
Energy: 1.0166845996110927
Energy: 1.025972946927635
Energy: 1.0166845996105887
Energy: 1.1183374808457052
Energy: 1.0851498408259628
Energy: 1.118337480846713
Energy: 1.0851498408259628
Energy: 1.1183374808462092
Energy: 1.0851498408264668
Energy: 1.0269040926793132
Energy: 0.9549027516937711
Energy: 1.026904092679817
Energy: 0.9549027516942751
Energy: 1.026904092678809
Energy: 0.9549027516932672
Energy: 1.0947240741270754
Energy: 1.0335338716997395
Energy: 1.0947240741270754
Energy: 1.0335338716997395
Energy: 1.0947240741270754
Energy: 1.0335338716997395
Energy: 1.0677595361190173
Energy: 1.0584695157867157
Energy: 1.067758707914453
Energy: 1.0584695157862116
Energy: 1.0677595361180094
Energy: 1.0584695157862116
Energy: 1.0891332614949527
Energy: 1.0415520231426845
Energy: 1.089133261494449
Energy: 1.0415520231431885
Energy: 1.0891332614939448
Energy: 1.0415520231431885
Energy: 1.160355759656516
Energy: 1.0768167494170473
Energy: 1.1603657203959217
Energy: 1.0768167494175513
Energy: 1.16035575965702
Energy: 1.0768167494175513
Energy: 0.9962487473666806
Energy: 1.0526657822151169
Energy: 0.9962487473661766
Energy: 1.052665782214613
Energy: 0.9962487473671846
Energy: 1.052665782214613
Energy: 1.0922152046296587
Energy: 1.044731221513287
Energy: 1.0922152046306666
Energy: 1.044731221513287
Energy: 1.0922152046301628
Energy: 1.044731221513287
Energy: 1.0486244431477696
Energy: 1.0763852366953814
Energy: 1.0486244431472656
Energy: 1.0763852366948776
Energy: 1.0486244431482734
Energy: 1.0763852366948776
Energy: 1.0278442392888456
Energy: 1.0506923093882488
Energy: 1.0278442392878377
Energy: 1.0506923093882488
Energy: 1.0278442392883418
Energy: 1.0506923093882488
Energy: 1.0512988989974574
Energy: 1.0548840223483926
Energy: 1.0512988989984653
Energy: 1.0548840223483926
Energy: 1.0512988989989693
Energy: 1.0548840223478886
Energy: 0.954076973573738
Energy: 1.029296457602011
Energy: 0.9540769735742419
Energy: 1.029296457602515
Energy: 0.9540769735742419
Energy: 1.0292964576015067
Energy: 1.0884059216816564
Energy: 1.1265092187046066
Energy: 1.0884059216816564
Energy: 1.1265092187051107
Energy: 1.0884059216816564
Energy: 1.1265092187056145
Energy: 0.990157337225394
Energy: 1.0682236575391648
Energy: 0.990157337225394
Energy: 1.0682236575401727
Energy: 0.990157337225394
Energy: 1.0682236575396689
Energy: 1.0331121371482552
Energy: 1.0303538264988295
Energy: 1.033112137148759
Energy: 1.0303538264983254
Energy: 1.033112137149263
Energy: 1.0303538264988295
Energy: 1.0523162385528173
Energy: 1.1242769369917889
Energy: 1.052256170169694
Energy: 1.1242769369917889
Energy: 1.0523162385528173
Energy: 1.124276936992293
Energy: 1.0329163504725047
Energy: 0.9805467062410882
Energy: 1.0329163504725047
Energy: 0.9805467062415922
Energy: 1.032916350472001
Energy: 0.9805467062415922
Energy: 1.1044911864939368
Energy: 1.0773113897447266
Energy: 1.0075521580544802
Energy: 1.0773113897447266
Energy: 1.1044911864939368
Energy: 1.0773113897437188
Energy: 1.1389423302504347
Energy: 1.0440160423973914
Energy: 1.0875426610784416
Energy: 1.0440160423983993
Energy: 1.1389423302504347
Energy: 1.0440160423983993
Energy: 1.0358514566464647
Energy: 1.0478085549801437
Energy: 0.9946780979947565
Energy: 1.0478085549801437
Energy: 1.0358514566464647
Energy: 1.0478085549806477
Energy: 1.0784398529297934
Energy: 1.092465789470354
Energy: 1.0784398529302972
Energy: 1.092465789470354
Energy: 1.0784398529313053
Energy: 1.0924657894708578
Energy: 0.9940535958068334
Energy: 1.011393426366022
Energy: 0.9940535958063295
Energy: 1.011393426365518
Energy: 0.9940535958063295
Energy: 1.011393426366022
Energy: 1.0507453365661525
Energy: 1.1095041947531505
Energy: 1.0507453365666566
Energy: 1.1095041947536546
Energy: 1.050745336565649
Energy: 1.1095041947526467
Energy: 0.9839151948348691
Energy: 1.0238640358038384
Energy: 0.9839151948338611
Energy: 1.0238640358038384
Energy: 0.9839151948348691
Energy: 1.0238640358038384
Energy: 0.9886807127909788
Energy: 0.9952319100460572
Energy: 0.9886807127914827
Energy: 0.9952319100455533
Energy: 0.9886807127909788
Energy: 0.9952319100465611
Energy: 1.1411573666485204
Energy: 1.0868878030822724
Energy: 1.1411573666485204
Energy: 1.0868878030822724
Energy: 1.1411573666485204
Energy: 1.0868878030822724
Energy: 0.9689672278121884
Energy: 1.0301893449179533
Energy: 0.9689790461403425
Energy: 1.0301893449179533
Energy: 0.9689672278121884
Energy: 1.0301893449179533
Energy: 1.0507605284751
Energy: 1.1699782113923876
Energy: 1.0507628279854726
Energy: 1.1699782113918835
Energy: 1.0507605284751
Energy: 1.1699782113928914
Energy: 1.0905865139216613
Energy: 1.0655964126462747
Energy: 1.0905865139216613
Energy: 1.0655964126462747
Energy: 1.0905865139216613
Energy: 1.0655964126472826
Energy: 0.9960564174062183
Energy: 1.0734855568194415
Energy: 0.9960564174052104
Energy: 1.0734855568194415
Energy: 0.9960564174052104
Energy: 1.0734855568199455
Energy: 1.1525790988621756
Energy: 1.0440222769839462
Energy: 1.1525790988616718
Energy: 1.0440222769844503
Energy: 1.1525790988611677
Energy: 1.0440222769844503
Energy: 1.0379333703896831
Energy: 1.0687992880001393
Energy: 1.0379333703891793
Energy: 1.0687992880006434
Energy: 1.0379333703891793
Energy: 1.0687992880006434

minimum gb energy = 0.954076973573738 eV
minimum distance =  2.25548110898702 Angstroms
sigma value = 41


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

Energy: 1.2120099994114024
Energy: 1.1571905323574025
Energy: 1.2120099994114024
Energy: 1.1571905323574025
Energy: 1.2120099994114024
Energy: 1.1571905323574025
Energy: 1.137776749152031
Energy: 1.169640424615567
Energy: 1.137776749152031
Energy: 1.169640424615567
Energy: 1.137776749152031
Energy: 1.169640424615567
Energy: 1.2232924295446956
Energy: 1.1529971854427579
Energy: 1.2232924295446956
Energy: 1.1529971854441337
Energy: 1.2232924295446956
Energy: 1.1529971854427579
Energy: 1.2009951977880768
Energy: 1.183777237842691
Energy: 1.2009951977894529
Energy: 1.183777237842691
Energy: 1.2009951977894529
Energy: 1.183777237842691
Energy: 1.1156536614704138
Energy: 1.149368804609276
Energy: 1.1156536614704138
Energy: 1.149368804609276
Energy: 1.1156536614704138
Energy: 1.1493688046079003
Energy: 1.2874565889060139
Energy: 1.2333198638502447
Energy: 1.287456588904638
Energy: 1.2333198638502447
Energy: 1.2874565889060139
Energy: 1.2333198638516207
Energy: 1.196999090673578
Energy: 1.097996544050509
Energy: 1.196999090673578
Energy: 1.097996544050509
Energy: 1.196999090673578
Energy: 1.097996544050509
Energy: 1.2039850368137337
Energy: 1.1595887973836736
Energy: 1.2039850368123577
Energy: 1.1595887973836736
Energy: 1.2039850368123577
Energy: 1.1595887973836736
Energy: 1.0421027436303627
Energy: 1.134674182679208
Energy: 1.0421027436317385
Energy: 1.1346741826805837
Energy: 1.0421027436303627
Energy: 1.134674182679208
Energy: 1.2017360196105278
Energy: 1.1644126179473884
Energy: 1.2017360196105278
Energy: 1.1644126179473884
Energy: 1.2017360196105278
Energy: 1.1644126179473884
Energy: 1.062852353849675
Energy: 1.1532769264521092
Energy: 1.062852353849675
Energy: 1.1532769264521092
Energy: 1.062852353849675
Energy: 1.1532769264507332
Energy: 1.1387102731049132
Energy: 1.170947537382806
Energy: 1.1387102731049132
Energy: 1.170947537382806
Energy: 1.1387102731049132
Energy: 1.170947537382806
Energy: 1.0591350297100504
Energy: 1.2103916324198845
Energy: 1.0591350297086746
Energy: 1.2103916324198845
Energy: 1.0591350297086746
Energy: 1.2103916324198845
Energy: 1.116078226785854
Energy: 1.15859686677542
Energy: 1.116078226785854
Energy: 1.1585968667740443
Energy: 1.116078226785854
Energy: 1.15859686677542

minimum gb energy = 1.0421027436303627 eV
minimum distance =  2.28899560146972 Angstroms
sigma value = 11


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

Energy: 1.3779489123607251
Energy: 1.355931752251773
Energy: 1.3779489123607251
Energy: 1.355931752251773
Energy: 1.3779489123601205
Energy: 1.355931752251773
Energy: 1.2381962750325528
Energy: 1.300936636759936
Energy: 1.2381962750325528
Energy: 1.300936636759936
Energy: 1.238196275033157
Energy: 1.3009366367605402
Energy: 1.338066751665509
Energy: 1.2877436266008357
Energy: 1.3380667516661133
Energy: 1.2877436266008357
Energy: 1.338066751665509
Energy: 1.2877436266002316
Energy: 1.3084924577176615
Energy: 1.2437022420811072
Energy: 1.3084924577176615
Energy: 1.2437022420811072
Energy: 1.308492457717057
Energy: 1.2437022420811072
Energy: 1.3318467408953567
Energy: 1.2909542413039814
Energy: 1.3318467408953567
Energy: 1.290954241303377
Energy: 1.3318467408947525
Energy: 1.2909542413039814
Energy: 1.289213276526131
Energy: 1.3501345920750742
Energy: 1.289213276526131
Energy: 1.3501345920750742
Energy: 1.289213276526131
Energy: 1.3501345920750742
Energy: 1.314415681097924
Energy: 1.2739680774286433
Energy: 1.314415681097924
Energy: 1.2739680774286433
Energy: 1.314415681097924
Energy: 1.2739680774286433
Energy: 1.2843473764942581
Energy: 1.311073456266866
Energy: 1.2843473764942581
Energy: 1.3110734562662616
Energy: 1.2843473764942581
Energy: 1.3110734562662616
Energy: 1.3106506960344042
Energy: 1.3180257914783358
Energy: 1.3106506960344042
Energy: 1.3180257914777314
Energy: 1.3106506960344042
Energy: 1.3180257914783358
Energy: 1.294129586950547
Energy: 1.3126817060651417
Energy: 1.294129586950547
Energy: 1.3126817060651417
Energy: 1.294129586950547
Energy: 1.3126817060651417
Energy: 1.2857078127768904
Energy: 1.3076083121334452
Energy: 1.285707812776286
Energy: 1.3076083121340498
Energy: 1.285707812776286
Energy: 1.3076083121340498
Energy: 1.3264986464708277
Energy: 1.3331133203112322
Energy: 1.3264986464708277
Energy: 1.3331133203112322
Energy: 1.3264986464708277
Energy: 1.3331133203106278
Energy: 1.3072941935724531
Energy: 1.2820126110272816
Energy: 1.3072941935724531
Energy: 1.2820126110272816
Energy: 1.3072941935724531
Energy: 1.2820126110272816
Energy: 1.295230370967443
Energy: 1.311324763474457
Energy: 1.295230370967443
Energy: 1.311324763474457
Energy: 1.295230370967443
Energy: 1.311324763474457
Energy: 1.2713260990333253
Energy: 1.3103546942783082
Energy: 1.2713260990327209
Energy: 1.3103546942783082
Energy: 1.2713260990333253
Energy: 1.3103546942783082
Energy: 1.3178279007594715
Energy: 1.274532694399726
Energy: 1.3178279007594715
Energy: 1.274532694399726
Energy: 1.3178279007594715
Energy: 1.2745326943991215
Energy: 1.2512573188557545
Energy: 1.2924652387942155
Energy: 1.2512573188557545
Energy: 1.2924652387942155
Energy: 1.2512573188557545
Energy: 1.2924652387942155
Energy: 1.3297023948999764
Energy: 1.3279648882012178
Energy: 1.3297023948999764
Energy: 1.3279648882012178
Energy: 1.3297023948999764
Energy: 1.3279648882012178
Energy: 1.2808646942220012
Energy: 1.2305184690278426
Energy: 1.2808646942220012
Energy: 1.2305184690278426
Energy: 1.2808646942220012
Energy: 1.2305184690278426
Energy: 1.2877756672405296
Energy: 1.2989052831547971
Energy: 1.2877756672405296
Energy: 1.2989052831554015
Energy: 1.2877756672411342
Energy: 1.2989052831547971
Energy: 1.2567204258189195
Energy: 1.2713644802731785
Energy: 1.2567204258189195
Energy: 1.2713644802731785
Energy: 1.2567204258189195
Energy: 1.2713644802731785
Energy: 1.3513297795182357
Energy: 1.3379338103112546
Energy: 1.3513297795182357
Energy: 1.3379338103112546
Energy: 1.3513297795182357
Energy: 1.3379338103112546
Energy: 1.2878350468788398
Energy: 1.2878678008395932
Energy: 1.2878350468788398
Energy: 1.2878678008395932
Energy: 1.2878350468788398
Energy: 1.2878678008395932
Energy: 1.3282523712132022
Energy: 1.3003219187257211
Energy: 1.3282523712132022
Energy: 1.3003219187257211
Energy: 1.3282523712132022
Energy: 1.3003219187257211
Energy: 1.2979420504871018
Energy: 1.2941664092591796
Energy: 1.2979420504871018
Energy: 1.2941664092585752
Energy: 1.2979420504871018
Energy: 1.2941664092591796
Energy: 1.2694704878403729
Energy: 1.296704826936288
Energy: 1.2694704878403729
Energy: 1.2967048269368926
Energy: 1.269470487840977
Energy: 1.296704826936288
Energy: 1.2949017045139024
Energy: 1.350365829493581
Energy: 1.2949017045145068
Energy: 1.350365829493581
Energy: 1.2949017045145068
Energy: 1.350365829493581
Energy: 1.3082481355857631
Energy: 1.2722213300004028
Energy: 1.3082481355857631
Energy: 1.2722213299997984
Energy: 1.3082481355863678
Energy: 1.2722213299997984
Energy: 1.2973316742856849
Energy: 1.310059190722745
Energy: 1.2973316742856849
Energy: 1.310059190722745
Energy: 1.2973316742856849
Energy: 1.310059190722745
Energy: 1.2815906538801827
Energy: 1.2285328431234743
Energy: 1.2815906538801827
Energy: 1.2285328431234743
Energy: 1.2815906538801827
Energy: 1.2285328431234743
Energy: 1.2926687066976765
Energy: 1.3524461140413284
Energy: 1.2926687066976765
Energy: 1.3524461140413284
Energy: 1.2926687066976765
Energy: 1.3524461140407242

minimum gb energy = 1.2285328431234743 eV
minimum distance =  2.25398561367807 Angstroms
sigma value = 57


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

Energy: 1.2359067404267816
Energy: 1.220677820839476
Energy: 1.2359067404267816
Energy: 1.220677820839476
Energy: 1.2359067404267816
Energy: 1.220677820839476
Energy: 1.2958258692047735
Energy: 1.3604651550076576
Energy: 1.2958258692047735
Energy: 1.3604651550076576
Energy: 1.2958258692047735
Energy: 1.3604651550087332
Energy: 1.32211745791953
Energy: 1.2637192387784613
Energy: 1.3221174579206054
Energy: 1.2637192387784613
Energy: 1.3221174579206054
Energy: 1.2637192387784613
Energy: 1.2258295496526925
Energy: 1.1836284496027794
Energy: 1.2258295496526925
Energy: 1.1836284496017038
Energy: 1.2258295496526925
Energy: 1.1836284496027794
Energy: 1.3220907881391957
Energy: 1.2637242977770249
Energy: 1.3220907881391957
Energy: 1.2637242977770249
Energy: 1.3220907881381199
Energy: 1.2637242977770249
Energy: 1.295858752903004
Energy: 1.3338338522330666
Energy: 1.295858752903004
Energy: 1.3338338522330666
Energy: 1.295858752903004
Energy: 1.3338338522330666
Energy: 1.2359067404267816
Energy: 1.220677820839476
Energy: 1.2359067404278572
Energy: 1.220677820839476
Energy: 1.2359067404267816
Energy: 1.220677820839476
Energy: 1.295825869203698
Energy: 1.3604651550087332
Energy: 1.295825869203698
Energy: 1.3604651550076576
Energy: 1.2958258692047735
Energy: 1.3604651550076576
Energy: 1.3221174579238324
Energy: 1.2637192387784613
Energy: 1.322117457914152
Energy: 1.2637192387784613
Energy: 1.3221174579238324
Energy: 1.2637192387784613
Energy: 1.2258295496526925
Energy: 1.1836284496027794
Energy: 1.2258295496526925
Energy: 1.1836284496017038
Energy: 1.2258295496526925
Energy: 1.1836284496027794
Energy: 1.322090788140271
Energy: 1.2637242977781007
Energy: 1.3220907881391957
Energy: 1.2637242977781007
Energy: 1.3220907881391957
Energy: 1.2637242977781007
Energy: 1.2958587529040797
Energy: 1.1950778314642299
Energy: 1.2958587529040797
Energy: 1.1950778314663322
Energy: 1.2958587529040797
Energy: 1.1950778314653057
Energy: 1.2359067404267816
Energy: 1.220677820839476
Energy: 1.2359067404267816
Energy: 1.220677820839476
Energy: 1.2359067404267816
Energy: 1.220677820839476
Energy: 1.2958258692047735
Energy: 1.3604651550087332
Energy: 1.2958258692047735
Energy: 1.3604651550087332
Energy: 1.2958258692047735
Energy: 1.3604651550076576
Energy: 1.3221174579238324
Energy: 1.2637192387773857
Energy: 1.3221174579109252
Energy: 1.2637192387784613
Energy: 1.3221174579216812
Energy: 1.2637192387773857
Energy: 1.2258295496526925
Energy: 1.1836284496027794
Energy: 1.2258295496526925
Energy: 1.1836284496017038
Energy: 1.2258295496526925
Energy: 1.1836284496027794
Energy: 1.3220907881391957
Energy: 1.2637242977770249
Energy: 1.3220907881391957
Energy: 1.2637242977770249
Energy: 1.3220907881391957
Energy: 1.2637242977781007

minimum gb energy = 1.1836284496017038 eV
minimum distance =  2.29974329270788 Angstroms
sigma value = 9


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

Energy: 1.3742490958475904
Energy: 1.2680321554876688
Energy: 1.3742490958475904
Energy: 1.2680321554876688
Energy: 1.3742490958475904
Energy: 1.2680321554876688
Energy: 1.3135017608264645
Energy: 1.3039270840154678
Energy: 1.3135017608264645
Energy: 1.3039270840145896
Energy: 1.3135017608264645
Energy: 1.3039270840145896
Energy: 1.2890665805429966
Energy: 1.3127686930075575
Energy: 1.2890665805421182
Energy: 1.3127686930075575
Energy: 1.2890665805429966
Energy: 1.3127686930075575
Energy: 1.2932892501005542
Energy: 1.3824780779012742
Energy: 1.2932892501005542
Energy: 1.3824780779012742
Energy: 1.2932892501005542
Energy: 1.3824780779012742
Energy: 1.3232100541456122
Energy: 1.261795938946226
Energy: 1.3232100541456122
Energy: 1.261795938946226
Energy: 1.3232100541456122
Energy: 1.261795938946226
Energy: 1.3028079363737632
Energy: 1.328191271216143
Energy: 1.3028079363728848
Energy: 1.328191271216143
Energy: 1.3028079363737632
Energy: 1.328191271216143
Energy: 1.3022347973976245
Energy: 1.3195146139546186
Energy: 1.3022347973967463
Energy: 1.3195146139546186
Energy: 1.3022347973967463
Energy: 1.3195146139546186
Energy: 1.286346502782898
Energy: 1.3513819816091288
Energy: 1.2863465027837762
Energy: 1.3513819816091288
Energy: 1.286346502782898
Energy: 1.3513819816091288
Energy: 1.3906710003093667
Energy: 1.321199652016017
Energy: 1.3906710003093667
Energy: 1.321199652016017
Energy: 1.3906710003093667
Energy: 1.321199652016017
Energy: 1.3049243515628577
Energy: 1.2975561113774128
Energy: 1.3049243515628577
Energy: 1.2975561113774128
Energy: 1.3049243515628577
Energy: 1.2975561113774128
Energy: 1.278973655087617
Energy: 1.3097866938415852
Energy: 1.2789736550867385
Energy: 1.3097866938415852
Energy: 1.278973655087617
Energy: 1.3097866938407068
Energy: 1.3719438008467852
Energy: 1.329912048236316
Energy: 1.3719438008467852
Energy: 1.329912048236316
Energy: 1.3719438008467852
Energy: 1.329912048236316
Energy: 1.2954494519550395
Energy: 1.3543931026127154
Energy: 1.2954494519559177
Energy: 1.3543931026127154
Energy: 1.2954494519559177
Energy: 1.3543931026127154
Energy: 1.3129622890742776
Energy: 1.2994123337261676
Energy: 1.3129622890742776
Energy: 1.2994123337261676
Energy: 1.3129622890742776
Energy: 1.2994123337261676
Energy: 1.329316600089911
Energy: 1.3169827722776768
Energy: 1.329316600089911
Energy: 1.3169827722776768
Energy: 1.3293166000890326
Energy: 1.3169827722776768
Energy: 1.3738486982744846
Energy: 1.3101227838392953
Energy: 1.3738486982744846
Energy: 1.3101227838392953
Energy: 1.3738486982744846
Energy: 1.3101227838401737
Energy: 1.2972854720514284
Energy: 1.310928803128589
Energy: 1.29728547205055
Energy: 1.310928803128589
Energy: 1.29728547205055
Energy: 1.310928803128589
Energy: 1.4481337080930878
Energy: 1.3189883506594775
Energy: 1.4481337080930878
Energy: 1.318988350658599
Energy: 1.4481337080930878
Energy: 1.3189883506594775
Energy: 1.290773001909842
Energy: 1.3079136351686573
Energy: 1.290773001909842
Energy: 1.3079136351686573
Energy: 1.290773001909842
Energy: 1.3079136351686573
Energy: 1.303636293257465
Energy: 1.2703107678120567
Energy: 1.3036362932583432
Energy: 1.2703107678120567
Energy: 1.3036362932583432
Energy: 1.2703107678120567
Energy: 1.3765579707391467
Energy: 1.3403988133888378
Energy: 1.3765579707382685
Energy: 1.3403988133888378
Energy: 1.3765579707391467
Energy: 1.3403988133888378

minimum gb energy = 1.261795938946226 eV
minimum distance =  2.26883026104204 Angstroms
sigma value = 27


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

Energy: 1.4222557970556853
Energy: 1.251634011865959
Energy: 1.4222557970556853
Energy: 1.2516340100101455
Energy: 1.4222557970556853
Energy: 1.2516340104156505
Energy: 1.3618567425072303
Energy: 1.2687261384985637
Energy: 1.3618567425072303
Energy: 1.2687261384985637
Energy: 1.3618567425072303
Energy: 1.2687261384978237
Energy: 1.2588291280864177
Energy: 1.283370793327402
Energy: 1.258829128087158
Energy: 1.283370793327402
Energy: 1.258829128087158
Energy: 1.283370793327402
Energy: 1.2685029388734026
Energy: 1.2582651401329488
Energy: 1.2685029388734026
Energy: 1.2582651401329488
Energy: 1.2685029388726623
Energy: 1.2582651401329488
Energy: 1.2687243034057127
Energy: 1.2836263878816894
Energy: 1.2687243034057127
Energy: 1.2836263878816894
Energy: 1.2687243034057127
Energy: 1.2836263878816894
Energy: 1.2787683497587483
Energy: 1.3868334877934685
Energy: 1.2787683497587483
Energy: 1.3868334877942088
Energy: 1.2787683497587483
Energy: 1.3868334877927282
Energy: 1.276252223546539
Energy: 1.3038928701023973
Energy: 1.2762522235457987
Energy: 1.3038928701053583
Energy: 1.2762522235457987
Energy: 1.3038928701023973
Energy: 1.308017004662475
Energy: 1.2585166328046162
Energy: 1.308017004662475
Energy: 1.2585166328053565
Energy: 1.3080170046617348
Energy: 1.2585166328053565
Energy: 1.2656380118939254
Energy: 1.305957396673073
Energy: 1.2656380118939254
Energy: 1.3059573966723328
Energy: 1.2656380118939254
Energy: 1.305957396673073
Energy: 1.3861646823309115
Energy: 1.2551919295733995
Energy: 1.3861646823309115
Energy: 1.2551919295733995
Energy: 1.3861646823309115
Energy: 1.2551919295726592
Energy: 1.3873783328281495
Energy: 1.2943824252004767
Energy: 1.3873783328281495
Energy: 1.2943824252004767
Energy: 1.3873783328281495
Energy: 1.294382425201217
Energy: 1.306071276067688
Energy: 1.280956075920104
Energy: 1.3060712760669477
Energy: 1.280956075920844
Energy: 1.3060712760669477
Energy: 1.280956075920844
Energy: 1.3267977341372554
Energy: 1.3097907707166014
Energy: 1.3267977341372554
Energy: 1.3097907707166014
Energy: 1.3267977341372554
Energy: 1.3097907707166014
Energy: 1.3014292505681304
Energy: 1.2683070411450903
Energy: 1.3014292505681304
Energy: 1.2683070411450903
Energy: 1.3014292505681304
Energy: 1.2683070411450903
Energy: 1.2708852528242949
Energy: 1.3992338361038599
Energy: 1.2708852528242949
Energy: 1.3992338361031194
Energy: 1.270885252825035
Energy: 1.3992338361031194
Energy: 1.290883777253787
Energy: 1.2844635647451064
Energy: 1.290883777253787
Energy: 1.2844635647451064
Energy: 1.290883777253787
Energy: 1.2844635647451064
Energy: 1.2754499057336803
Energy: 1.2604714792777874
Energy: 1.2754499057336803
Energy: 1.2604714792777874
Energy: 1.2754499057336803
Energy: 1.2604714792777874
Energy: 1.2573288332075823
Energy: 1.2704155974342415
Energy: 1.2573288332083226
Energy: 1.2704155974342415
Energy: 1.2573288332075823
Energy: 1.2704155974342415
Energy: 1.2025033674228485
Energy: 1.265582716221446
Energy: 1.2025033674228485
Energy: 1.265582716222186
Energy: 1.2025033674228485
Energy: 1.265582716221446
Energy: 1.4222557970556853
Energy: 1.2516340120420444
Energy: 1.4222557970549452
Energy: 1.2516340100160677
Energy: 1.4222557970556853
Energy: 1.2516340116676314
Energy: 1.36185674250649
Energy: 1.2687261384978237
Energy: 1.36185674250649
Energy: 1.2687261384985637
Energy: 1.36185674250649
Energy: 1.2687261384978237
Energy: 1.258829128087158
Energy: 1.283370793327402
Energy: 1.258829128087158
Energy: 1.283370793327402
Energy: 1.2588291280864177
Energy: 1.283370793327402
Energy: 1.2685029388726623
Energy: 1.2582651401329488
Energy: 1.2685029388726623
Energy: 1.2582651401329488
Energy: 1.2685029388726623
Energy: 1.2582651401329488
Energy: 1.2687243034057127
Energy: 1.2836263878809493
Energy: 1.2687243034057127
Energy: 1.2836263878816894
Energy: 1.2687243034057127
Energy: 1.2836263878816894
Energy: 1.2787683497587483
Energy: 1.3868334877927282
Energy: 1.2787683497587483
Energy: 1.3868334877934685
Energy: 1.278768349758008
Energy: 1.3868334877934685

minimum gb energy = 1.2025033674228485 eV
minimum distance =  2.25771812391895 Angstroms
sigma value = 19


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

Energy: 1.3058449780574952
Energy: 1.2842571645451288
Energy: 1.3058449780574952
Energy: 1.2842571645457679
Energy: 1.3058449780574952
Energy: 1.2842571645451288
Energy: 1.2944072988972368
Energy: 1.2726884890011225
Energy: 1.2944072988972368
Energy: 1.2726884890004835
Energy: 1.2944072988972368
Energy: 1.2726884890011225
Energy: 1.2863065607937596
Energy: 1.2308532955675988
Energy: 1.2863065607937596
Energy: 1.2308532955675988
Energy: 1.2863065607937596
Energy: 1.2308532955675988
Energy: 1.249145595805001
Energy: 1.2909700014707515
Energy: 1.249145595805001
Energy: 1.2909700014707515
Energy: 1.249145595805001
Energy: 1.2909700014707515
Energy: 1.2606800893781709
Energy: 1.3069633351367087
Energy: 1.2606800893781709
Energy: 1.3069633351367087
Energy: 1.2606800893781709
Energy: 1.3069633351367087
Energy: 1.2834931850716533
Energy: 1.2635885248224663
Energy: 1.2834931850716533
Energy: 1.2635885248224663
Energy: 1.2834931850716533
Energy: 1.2635885248224663
Energy: 1.2322295793395355
Energy: 1.2860128457913602
Energy: 1.2322295793395355
Energy: 1.2860128457919993
Energy: 1.2322295793395355
Energy: 1.2860128457913602
Energy: 1.2653000958855947
Energy: 1.293079737860048
Energy: 1.2653000958855947
Energy: 1.293079737859409
Energy: 1.2653000958862337
Energy: 1.293079737859409
Energy: 1.3327610863539392
Energy: 1.2289174326248244
Energy: 1.3327610863539392
Energy: 1.2289174326248244
Energy: 1.3327610863539392
Energy: 1.2289174326248244
Energy: 1.2931674014281571
Energy: 1.2892179010383464
Energy: 1.2931674014281571
Energy: 1.2892179010383464
Energy: 1.2931674014281571
Energy: 1.2892179010389855
Energy: 1.2348644559748188
Energy: 1.2943052259476362
Energy: 1.2348644559748188
Energy: 1.2943052259476362
Energy: 1.2348644559748188
Energy: 1.2943052259482752
Energy: 1.2921513669319737
Energy: 1.2281090732279407
Energy: 1.2921513669319737
Energy: 1.2281090732279407
Energy: 1.2921513669319737
Energy: 1.2281090732279407
Energy: 1.2759481846630136
Energy: 1.2731399979465352
Energy: 1.2759481846630136
Energy: 1.2731399979465352
Energy: 1.2759481846630136
Energy: 1.2731399979458962
Energy: 1.2559081631119027
Energy: 1.2801709127493375
Energy: 1.2559081631119027
Energy: 1.2801709127499765
Energy: 1.2559081631119027
Energy: 1.2801709127499765
Energy: 1.313607486327979
Energy: 1.2491186963774088
Energy: 1.313607486327979
Energy: 1.2491186963774088
Energy: 1.313607486327979
Energy: 1.2491186963774088
Energy: 1.2775342342575553
Energy: 1.2221744638239256
Energy: 1.2775342342575553
Energy: 1.2221744638232863
Energy: 1.2775342342575553
Energy: 1.2221744638232863
Energy: 1.2477014708174488
Energy: 1.2811173880090583
Energy: 1.2477014708168097
Energy: 1.2811173880090583
Energy: 1.2477014708174488
Energy: 1.2811173880090583
Energy: 1.2955555343929095
Energy: 1.291250654131491
Energy: 1.2955555343929095
Energy: 1.291250654130852
Energy: 1.2955555343929095
Energy: 1.291250654130852
Energy: 1.2567894214546134
Energy: 1.260643713873987
Energy: 1.2567894214539743
Energy: 1.260643713873987
Energy: 1.2567894214546134
Energy: 1.260643713873987
Energy: 1.264287280668623
Energy: 1.2830954407743824
Energy: 1.2642872806692622
Energy: 1.2830954407743824
Energy: 1.2642872806692622
Energy: 1.2830954407743824
Energy: 1.2147324593451199
Energy: 1.2930703811739235
Energy: 1.2147324593457587
Energy: 1.2930703811739235
Energy: 1.2147324593457587
Energy: 1.2930703811739235
Energy: 1.3348613390651018
Energy: 1.2294096864213482
Energy: 1.3348613390651018
Energy: 1.2294096864213482
Energy: 1.3348613390651018
Energy: 1.2294096864213482
Energy: 1.362440805764823
Energy: 1.2730718473644242
Energy: 1.362440805764823
Energy: 1.2730718473644242
Energy: 1.362440805765462
Energy: 1.2730718473644242
Energy: 1.3038896800523538
Energy: 1.2865789254851119
Energy: 1.3038896800523538
Energy: 1.2865789254851119
Energy: 1.3038896800523538
Energy: 1.2865789254857507
Energy: 1.2643782852747565
Energy: 1.2304329484440415
Energy: 1.2643782852747565
Energy: 1.2304329484440415
Energy: 1.2643782852753955
Energy: 1.2304329484434027
Energy: 1.2844448826781094
Energy: 1.258989411665685
Energy: 1.2844448826781094
Energy: 1.258989411666324
Energy: 1.2844448826781094
Energy: 1.258989411666324
Energy: 1.2277986674208725
Energy: 1.2803694781555848
Energy: 1.2277986674208725
Energy: 1.280369478154946
Energy: 1.2277986674208725
Energy: 1.2803694781555848
Energy: 1.2913306303001135
Energy: 1.2610605843613985
Energy: 1.2913306303007526
Energy: 1.2610605843620373
Energy: 1.2913306303007526
Energy: 1.2610605843620373
Energy: 1.2828547920155418
Energy: 1.2606814926130279
Energy: 1.2828547920155418
Energy: 1.2606814926130279
Energy: 1.2828547920155418
Energy: 1.2606814926130279

minimum gb energy = 1.2147324593451199 eV
minimum distance =  2.26450361907263 Angstroms
sigma value = 101


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

Energy: 1.228776870498517
Energy: 1.3004557855386194
Energy: 1.2287768704990787
Energy: 1.3004557855386194
Energy: 1.228776870498517
Energy: 1.3004557855380576
Energy: 1.2810814706599432
Energy: 1.231052980485017
Energy: 1.2810814706599432
Energy: 1.231052980485017
Energy: 1.2810814706588196
Energy: 1.231052980485017
Energy: 1.2495334293027136
Energy: 1.179092888544167
Energy: 1.2495334293027136
Energy: 1.1790928885447287
Energy: 1.2495334293032754
Energy: 1.1790928885447287
Energy: 1.1556253602820423
Energy: 1.2467824790369886
Energy: 1.1556253602814806
Energy: 1.2467824790364266
Energy: 1.1556253602820423
Energy: 1.2467824790369886
Energy: 1.2096119673557089
Energy: 1.2140575051948579
Energy: 1.2096119673562706
Energy: 1.2140575051942961
Energy: 1.2096119673557089
Energy: 1.2140575051942961
Energy: 1.2657322274416387
Energy: 1.1782441697043247
Energy: 1.2657322274427623
Energy: 1.1782441697054482
Energy: 1.2657322274416387
Energy: 1.1782441697043247
Energy: 1.210303692916996
Energy: 1.2378885034711553
Energy: 1.2103036929175575
Energy: 1.2378885034711553
Energy: 1.210303692916996
Energy: 1.2378885034717169
Energy: 1.1621632925455134
Energy: 1.2624459492460798
Energy: 1.1621632925455134
Energy: 1.2624459492460798
Energy: 1.1621632925455134
Energy: 1.262445949245518
Energy: 1.26392168394991
Energy: 1.1791937421874956
Energy: 1.26392168394991
Energy: 1.179193742186934
Energy: 1.2639216839493481
Energy: 1.1791937421880574
Energy: 1.2090188632448993
Energy: 1.2489370889138398
Energy: 1.2090188632448993
Energy: 1.2489370889138398
Energy: 1.2090188632448993
Energy: 1.2489370889138398
Energy: 1.1596545044379576
Energy: 1.3624616764242452
Energy: 1.1596545044385194
Energy: 1.362461676424807
Energy: 1.1596545044379576
Energy: 1.3624616764242452
Energy: 1.2843374210766452
Energy: 1.230111410554163
Energy: 1.2843374210766452
Energy: 1.230111410554725
Energy: 1.2843374210760834
Energy: 1.230111410554163
Energy: 1.249095681582116
Energy: 1.1781519811420118
Energy: 1.249095681582116
Energy: 1.17815198114145
Energy: 1.249095681582116
Energy: 1.1781519811420118
Energy: 1.2348137282088447
Energy: 1.264193909165342
Energy: 1.2348137282094065
Energy: 1.264193909165342
Energy: 1.2348137282088447
Energy: 1.264193909165342
Energy: 1.2802246752947473
Energy: 1.2223673426075448
Energy: 1.2802246752947473
Energy: 1.2223673426081065
Energy: 1.2802246752947473
Energy: 1.2223673426086683
Energy: 1.2494171331128923
Energy: 1.177559177432946
Energy: 1.2494171331128923
Energy: 1.177559177432946
Energy: 1.2494171331123307
Energy: 1.177559177432946
Energy: 1.156473566749146
Energy: 1.2524008107979756
Energy: 1.156473566748584
Energy: 1.2524008107979756
Energy: 1.156473566749146
Energy: 1.2524008107979756
Energy: 1.1602735470699457
Energy: 1.2716667762947638
Energy: 1.160273547069384
Energy: 1.2716667762947638
Energy: 1.1602735470699457
Energy: 1.2716667762947638
Energy: 1.2452981995812216
Energy: 1.1790586278904158
Energy: 1.2452981995806598
Energy: 1.1790586278898538
Energy: 1.245298199578413
Energy: 1.1790586278904158
Energy: 1.217273115316916
Energy: 1.2593338200455957
Energy: 1.217273115316916
Energy: 1.2593338200450337
Energy: 1.217273115316916
Energy: 1.2593338200450337
Energy: 1.1599432110426042
Energy: 1.3658355980846948
Energy: 1.1599432110414805
Energy: 1.3658355980841332
Energy: 1.1599432110420422
Energy: 1.3658355980841332
Energy: 1.2724488824072528
Energy: 1.1722372815840272
Energy: 1.2724488824072528
Energy: 1.1722372815840272
Energy: 1.2724488824072528
Energy: 1.1722372815840272
Energy: 1.2703729094289975
Energy: 1.1719457798465758
Energy: 1.270372909428436
Energy: 1.1719457798465758
Energy: 1.270372909427874
Energy: 1.1719457798465758
Energy: 1.1555605465121386
Energy: 1.268234451086633
Energy: 1.1555605465115768
Energy: 1.2682344510883181
Energy: 1.1555605465127001
Energy: 1.2682344510860715
Energy: 1.297291004063171
Energy: 1.224196555472731
Energy: 1.297291004063171
Energy: 1.224196555472169
Energy: 1.2972910040626096
Energy: 1.224196555472731
Energy: 1.2505165131427103
Energy: 1.1780147422512817
Energy: 1.2505165131427103
Energy: 1.1780147422518434
Energy: 1.2505165131427103
Energy: 1.17801474225072
Energy: 1.2286424220691705
Energy: 1.2420225711713841
Energy: 1.2286424220691705
Energy: 1.2420225711702606
Energy: 1.2286424220697318
Energy: 1.2420225711713841
Energy: 1.2289527490136436
Energy: 1.2235527678875373
Energy: 1.2289527490153287
Energy: 1.2235527678875373
Energy: 1.2289527490142054
Energy: 1.2235527678875373
Energy: 1.2686170415483353
Energy: 1.1940880899081072
Energy: 1.2686170415488969
Energy: 1.1940880899075452
Energy: 1.2686170415488969
Energy: 1.1940880899086685
Energy: 1.1595043640032237
Energy: 1.2519026979508234
Energy: 1.1595043640037852
Energy: 1.2519026979513852
Energy: 1.1595043640037852
Energy: 1.2519026979513852
Energy: 1.1564263110034751
Energy: 1.2236818844535815
Energy: 1.156426311004037
Energy: 1.2236818844535815
Energy: 1.156426311004037
Energy: 1.2236818844535815
Energy: 1.2723009158539007
Energy: 1.1723918129727149
Energy: 1.272300915855024
Energy: 1.1723918129721531
Energy: 1.2723009158539007
Energy: 1.1723918129721531
Energy: 1.287960034759232
Energy: 1.172768203568771
Energy: 1.287960034759232
Energy: 1.1727682035693328
Energy: 1.287960034759232
Energy: 1.1727682035693328

minimum gb energy = 1.1555605465115768 eV
minimum distance =  2.27826706769112 Angstroms
sigma value = 33


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

Energy: 0.020445604181975944
Energy: 0.9074162991563762
Energy: 0.020445604181975944
Energy: 0.9074162991568429
Energy: 0.020445604181975944
Energy: 0.9074162991563762
Energy: 0.020980526565928213
Energy: 0.44533744821329496
Energy: 0.020980526565928213
Energy: 0.44533744821329496
Energy: 0.020980526565928213
Energy: 0.44533744821329496
Energy: 1.8232374895976473
Energy: 0.4463468873918831
Energy: 1.8232374895611922
Energy: 0.4463468873928166
Energy: 1.823237489562074
Energy: 0.4463468873914165
Energy: 0.020980526565928213
Energy: 0.44533744821329496
Energy: 0.020980526565513365
Energy: 0.4453374482137617
Energy: 0.020980526565928213
Energy: 0.4453374482137617

minimum gb energy = 0.020445604181975944 eV
minimum distance =  2.48585633323124 Angstroms
sigma value = 1