Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.867570169270039
cohesive_energy=4.28033620504353
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013144687330025053
Energy: 0.013613306169908412
Energy: 0.4495289333820427
Energy: 0.013613306169908412
Energy: 0.013144687330025053
Energy: 0.013613306169908412
Energy: 0.013613306169908412
Energy: 2.6975875250287475
Energy: 0.013613306169908412
Energy: 2.1964503078485835
Energy: 0.013613306169908412
Energy: 2.1964503078485835
Energy: 0.44952893338251343
Energy: 0.013613306169908412
Energy: 0.013144687330025053
Energy: 0.013613306169908412
Energy: 0.4495289333820427
Energy: 0.013613306169908412
Energy: 0.013613306169908412
Energy: 2.1964503078485835
Energy: 0.013613306169908412
Energy: 2.1964503078485835
Energy: 0.013613306169908412
Energy: 2.196450307849082
Energy: 0.013144687330495761
Energy: 0.013613306169908412
Energy: 0.4495289333820427
Energy: 0.013613306169908412
Energy: 0.013144687330025053
Energy: 0.01361330617040681
Energy: 0.013613306169908412
Energy: 2.1964503078485835
Energy: 0.013613306169908412
Energy: 2.1964503078485835
Energy: 0.013613306169908412
Energy: 2.1964503078485835

minimum gb energy = 0.013144687330025053 eV
minimum distance =  2.41249909889715 Angstroms
sigma value = 1


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

Energy: 1.2004073127709003
Energy: 1.3027336576562345
Energy: 1.058458956260684
Energy: 1.3027336576562345
Energy: 1.2004073127709003
Energy: 1.3027336576562345
Energy: 1.2143593250801479
Energy: 1.278066580163532
Energy: 1.2135499718050042
Energy: 1.2780665801647317
Energy: 1.2143593250789482
Energy: 1.2780665801647317
Energy: 1.0479129317272218
Energy: 1.2777558265153912
Energy: 1.192614985449526
Energy: 1.2777558265153912
Energy: 1.0479129317272218
Energy: 1.2777558265153912
Energy: 1.227018231640794
Energy: 1.1911426934362268
Energy: 1.135982702646552
Energy: 1.1911426934350273
Energy: 1.227018231640794
Energy: 1.1911426934362268
Energy: 1.2208489083047886
Energy: 1.303414269691924
Energy: 1.22071749858295
Energy: 1.303414269691924
Energy: 1.2208489083047886
Energy: 1.303414269691924
Energy: 1.1926759118657835
Energy: 1.2779044960300718
Energy: 1.0552117154725176
Energy: 1.2779044960300718
Energy: 1.1926759118657835
Energy: 1.2779044960300718
Energy: 1.192735186921164
Energy: 1.2776808072434784
Energy: 1.0478081358501647
Energy: 1.2776808072434784
Energy: 1.192735186921164
Energy: 1.277680807244678
Energy: 1.2482833721078646
Energy: 1.3031220189755435
Energy: 1.042260907150765
Energy: 1.3031220189755435
Energy: 1.2482833721078646
Energy: 1.3031220189755435
Energy: 1.2374478793180634
Energy: 1.1926865851973796
Energy: 1.0427267902950068
Energy: 1.192686585198579
Energy: 1.237447879319263
Energy: 1.192686585198579
Energy: 1.1946133472202587
Energy: 1.2778491587427243
Energy: 1.0560976901004837
Energy: 1.2778491587427243
Energy: 1.1946133472202587
Energy: 1.2778491587427243
Energy: 1.2158618236125067
Energy: 1.2043901533647137
Energy: 1.2135575895108373
Energy: 1.2043901533647137
Energy: 1.2158618236125067
Energy: 1.2043901533647137
Energy: 1.0433846176102295
Energy: 1.3030021339232627
Energy: 1.0433546844460082
Energy: 1.3030021339232627
Energy: 1.0433846176114292
Energy: 1.3030021339232627
Energy: 1.2135442361541775
Energy: 1.2043901533659138
Energy: 1.2265186487736142
Energy: 1.2043901533647137
Energy: 1.2135442361541775
Energy: 1.2043901533671133
Energy: 1.0560753106183665
Energy: 1.2778680599983951
Energy: 1.1945684838801978
Energy: 1.2778680599971952
Energy: 1.0560753106183665
Energy: 1.2778680599971952
Energy: 1.132178331369658
Energy: 1.1926625392940653
Energy: 1.2374748537596645
Energy: 1.1926625392940653
Energy: 1.132178331369658
Energy: 1.1926625392940653
Energy: 1.0423298946652264
Energy: 1.3031638583856382
Energy: 1.248229288629711
Energy: 1.3031638583856382
Energy: 1.0423298946652264
Energy: 1.3031638583856382
Energy: 1.0477969933360523
Energy: 1.2776820358892635
Energy: 1.1927554960543023
Energy: 1.277682035888064
Energy: 1.0477969933360523
Energy: 1.277682035888064
Energy: 1.0552071414661361
Energy: 1.2779116133577044
Energy: 1.1927488214295385
Energy: 1.2779116133577044
Energy: 1.0552071414661361
Energy: 1.2779116133577044
Energy: 1.122844033051785
Energy: 1.3034074661657857
Energy: 1.2208245226019043
Energy: 1.3034074661657857
Energy: 1.122844033051785
Energy: 1.3034074661657857
Energy: 1.1359865086700212
Energy: 1.1913830213412921
Energy: 1.2268976254740542
Energy: 1.1913830213412921
Energy: 1.1359865086700212
Energy: 1.1913830213424916
Energy: 1.1925976267826452
Energy: 1.2777672801856503
Energy: 1.0479081143034694
Energy: 1.2777672801856503
Energy: 1.1925976267826452
Energy: 1.2777672801856503
Energy: 1.2135508578954453
Energy: 1.27807055018686
Energy: 1.2144512049827267
Energy: 1.2780705501856606
Energy: 1.2135508578954453
Energy: 1.2780705501856606
Energy: 1.16258450142074
Energy: 1.3027336576574342
Energy: 1.2004073127709003
Energy: 1.3027336576562345
Energy: 1.1625845014195402
Energy: 1.3027336576574342

minimum gb energy = 1.042260907150765 eV
minimum distance =  2.26575319301865 Angstroms
sigma value = 33


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

Energy: 1.5913250362577462
Energy: 1.3765454915851545
Energy: 1.1474795831766973
Energy: 1.3765454915851545
Energy: 1.5913250362570641
Energy: 1.3765454915851545
Energy: 1.241033692069717
Energy: 1.340072542136129
Energy: 1.3524832317757995
Energy: 1.340072542136129
Energy: 1.241033692069717
Energy: 1.340072542136129
Energy: 1.1037489798077593
Energy: 1.369765402714202
Energy: 1.3261271447173686
Energy: 1.369765402714202
Energy: 1.1037489798077593
Energy: 1.369765402714202
Energy: 1.17795565462663
Energy: 1.2829576781777206
Energy: 1.353136802895774
Energy: 1.2829576781777206
Energy: 1.1779556546259475
Energy: 1.2829576781777206
Energy: 1.1777280290041496
Energy: 1.3480640849361105
Energy: 1.3394711762807974
Energy: 1.3480640849361105
Energy: 1.1777280290041496
Energy: 1.3480640849361105
Energy: 1.172282663403046
Energy: 1.3498139302861285
Energy: 1.114580303116897
Energy: 1.3498139302861285
Energy: 1.1722826634037284
Energy: 1.3498139302861285
Energy: 1.1721879544469067
Energy: 1.3497800303297691
Energy: 1.17759915185929
Energy: 1.349780030329087
Energy: 1.1721879544469067
Energy: 1.349780030329087
Energy: 1.1151207496518447
Energy: 1.3483711744529263
Energy: 1.2113416306741367
Energy: 1.3483711744529263
Energy: 1.1151207496518447
Energy: 1.3483711744529263
Energy: 1.177764539057414
Energy: 1.2840523754982174
Energy: 1.1727690093883785
Energy: 1.2840523754982174
Energy: 1.1777645390580962
Energy: 1.2840523754982174
Energy: 1.1716000444732835
Energy: 1.3696432940080878
Energy: 1.1774586801252194
Energy: 1.369643294008739
Energy: 1.1716000444739658
Energy: 1.369643294008739
Energy: 1.1756091650850269
Energy: 1.4225885837707288
Energy: 1.3531371154800254
Energy: 1.4225885837700467
Energy: 1.1756091650850269
Energy: 1.4225885837707288
Energy: 1.3263378840513171
Energy: 1.3492542761295587
Energy: 1.1956620753384506
Energy: 1.3492542761295587
Energy: 1.3263378840513171
Energy: 1.3492542761295587
Energy: 1.3549204183598718
Energy: 1.2936239608791094
Energy: 1.1782362936166304
Energy: 1.2936239608791094
Energy: 1.3549204183598718
Energy: 1.2936239608791094
Energy: 1.2404096108353775
Energy: 1.3703938265499211
Energy: 1.178178303832356
Energy: 1.3703938265499211
Energy: 1.2404096108353775
Energy: 1.3703938265499211
Energy: 1.3263731959789864
Energy: 1.348871450813742
Energy: 1.3011762423021411
Energy: 1.348871450813742
Energy: 1.3263731959789864
Energy: 1.348871450813742
Energy: 1.3260666257650977
Energy: 1.3486085947099051
Energy: 1.1956630605302478
Energy: 1.3486085947099051
Energy: 1.3260666257650977
Energy: 1.3486085947099051
Energy: 1.339630621458423
Energy: 1.3496705349951506
Energy: 1.1772220241894857
Energy: 1.3496705349944682
Energy: 1.339630621458423
Energy: 1.3496705349951506
Energy: 1.3596728354389838
Energy: 1.3381514018768712
Energy: 1.3018242336081163
Energy: 1.3381514018768712
Energy: 1.3596728354396663
Energy: 1.3381514018768712
Energy: 1.1147096498414735
Energy: 1.348144450167444
Energy: 1.2497001744135017
Energy: 1.348144450167444
Energy: 1.1147096498414735
Energy: 1.3481444501667614
Energy: 1.243265304746667
Energy: 1.283811455891796
Energy: 1.1725020401088975
Energy: 1.283811455891796
Energy: 1.2432653047473494
Energy: 1.283811455891796
Energy: 1.3266031568426664
Energy: 1.3722558405545906
Energy: 1.1308465942296098
Energy: 1.3722558405552727
Energy: 1.3266031568426664
Energy: 1.3722558405545906
Energy: 1.2117721640113668
Energy: 1.3433121917502213
Energy: 1.3528907097807332
Energy: 1.3433121917509039
Energy: 1.2117721640120491
Energy: 1.3433121917509039
Energy: 1.1771533756110166
Energy: 1.3489237366198519
Energy: 1.339423048020585
Energy: 1.3489237366198519
Energy: 1.1771533756110166
Energy: 1.3489237366198519
Energy: 1.35786297080101
Energy: 1.3386295610827446
Energy: 1.1771239771191038
Energy: 1.3386295610827446
Energy: 1.3578629708016923
Energy: 1.338629561082062
Energy: 1.195800316248562
Energy: 1.3502260155945647
Energy: 1.3261839085835583
Energy: 1.3502260155945647
Energy: 1.195800316249244
Energy: 1.350226015595247
Energy: 1.1793943999823702
Energy: 1.3723604634609072
Energy: 1.1650213717822884
Energy: 1.3723604634602249
Energy: 1.1793943999823702
Energy: 1.3723604634602249
Energy: 1.1792469502964091
Energy: 1.3721171563850945
Energy: 1.1376451743483604
Energy: 1.3721171563864591
Energy: 1.1792469502950444
Energy: 1.3721171563864591
Energy: 1.1959496103268903
Energy: 1.3498072887102357
Energy: 1.3261783727442453
Energy: 1.3498072887095536
Energy: 1.1959496103268903
Energy: 1.3498072887095536
Energy: 1.3552193165613997
Energy: 1.3386230240274108
Energy: 1.1788475853879568
Energy: 1.3386230240274108
Energy: 1.3552193165613997
Energy: 1.3386230240274108
Energy: 1.1771446322861614
Energy: 1.3491793610677132
Energy: 1.2534520139276468
Energy: 1.3491793610670308
Energy: 1.1771446322868437
Energy: 1.3491793610677132
Energy: 1.2116244840401105
Energy: 1.3433121917509039
Energy: 1.3529156792339718
Energy: 1.3433121917509039
Energy: 1.2116244840407928
Energy: 1.3433121917509039
Energy: 1.326516180056018
Energy: 1.372228153913086
Energy: 1.1308408348801153
Energy: 1.3722281539137684
Energy: 1.326516180056018
Energy: 1.372228153913086
Energy: 1.2432620134227337
Energy: 1.2838006508863373
Energy: 1.1723621036665552
Energy: 1.2838006508863373
Energy: 1.2432620134227337
Energy: 1.2838006508863373
Energy: 1.1147120447577894
Energy: 1.347863185590482
Energy: 1.1715283335615947
Energy: 1.347863185590482
Energy: 1.1147120447577894
Energy: 1.347863185590482
Energy: 1.3594331353660138
Energy: 1.338138720807152
Energy: 1.3738664330471293
Energy: 1.3381387208078341
Energy: 1.359433135365331
Energy: 1.3381387208078341
Energy: 1.3395559693803556
Energy: 1.3496784301855562
Energy: 1.1771100205549587
Energy: 1.3496784301855562
Energy: 1.3395559693810377
Energy: 1.3496784301855562
Energy: 1.3261025828518702
Energy: 1.3485901458635177
Energy: 1.1469423158443832
Energy: 1.348590145862835
Energy: 1.3261025828518702
Energy: 1.348590145862835
Energy: 1.3263200237278354
Energy: 1.3489097013049478
Energy: 1.3012326671307748
Energy: 1.3489097013042655
Energy: 1.3263200237278354
Energy: 1.3489097013042655
Energy: 1.240417203211675
Energy: 1.3708708259626587
Energy: 1.1780830037873171
Energy: 1.3708708259626587
Energy: 1.240417203211675
Energy: 1.3708708259626587
Energy: 1.3547681327644063
Energy: 1.293640150970926
Energy: 1.1779448954426455
Energy: 1.2936401509716084
Energy: 1.354768132763724
Energy: 1.2936401509702438
Energy: 1.3263380296238043
Energy: 1.3492534078292908
Energy: 1.146920094754091
Energy: 1.3492534078292908
Energy: 1.3263380296238043
Energy: 1.3492534078292908

minimum gb energy = 1.1037489798077593 eV
minimum distance =  2.22483428580013 Angstroms
sigma value = 51


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

Energy: 1.437435398240349
Energy: 1.3807246501532955
Energy: 1.2754628528934255
Energy: 1.3807246501517145
Energy: 1.4374353982387678
Energy: 1.3807246501517145
Energy: 1.1312807592531748
Energy: 1.305890556278112
Energy: 1.566240511379685
Energy: 1.3058905562749497
Energy: 1.1312807592531748
Energy: 1.3058905562749497
Energy: 1.1312481066580886
Energy: 1.3809247407784524
Energy: 1.4957488635003942
Energy: 1.3809247407784524
Energy: 1.1312481066580886
Energy: 1.3809247407784524
Energy: 1.1458235688489031
Energy: 1.330616146274266
Energy: 1.5635650832816972
Energy: 1.330616146274266
Energy: 1.1458235688489031
Energy: 1.330616146274266
Energy: 1.131687471621132
Energy: 1.3333503321636677
Energy: 1.496129392948967
Energy: 1.3333503321636677
Energy: 1.131687471621132
Energy: 1.3333503321636677
Energy: 1.4371904999415892
Energy: 1.3306896159043695
Energy: 1.5424599078551187
Energy: 1.3306896159043695
Energy: 1.4371904999415892
Energy: 1.3306896159043695
Energy: 1.4375566465153904
Energy: 1.3323169008040376
Energy: 1.4959248706866608
Energy: 1.3323169008040376
Energy: 1.4375566465153904
Energy: 1.3323169008040376
Energy: 1.1465754477146441
Energy: 1.3308221892078078
Energy: 1.1189270668487943
Energy: 1.330822189209389
Energy: 1.146575447713063
Energy: 1.330822189209389
Energy: 1.4372573073173152
Energy: 1.3582956861247875
Energy: 1.1508020701231423
Energy: 1.3582956861263684
Energy: 1.4372573073173152
Energy: 1.3582956861263684
Energy: 1.1309285538064724
Energy: 1.3843109886293534
Energy: 1.118835968680475
Energy: 1.3843109886293534
Energy: 1.1309285538064724
Energy: 1.3843109886309342
Energy: 1.4387570312437752
Energy: 1.332688106079537
Energy: 1.4960818545659675
Energy: 1.3326881060779558
Energy: 1.4387570312437752
Energy: 1.3326881060779558
Energy: 1.440877054410437
Energy: 1.3815208004856578
Energy: 1.5424879500642434
Energy: 1.381520800487239
Energy: 1.440877054410437
Energy: 1.381520800487239
Energy: 1.3196394801072935
Energy: 1.3311328717745379
Energy: 1.4968514351983977
Energy: 1.3311328717761193
Energy: 1.3196394801072935
Energy: 1.3311328717761193
Energy: 1.130886620348628
Energy: 1.3816991880886136
Energy: 1.4961434650420786
Energy: 1.3816991880886136
Energy: 1.130886620348628
Energy: 1.3816991880886136
Energy: 1.1310137604114514
Energy: 1.382844223346384
Energy: 1.4964410952730327
Energy: 1.382844223346384
Energy: 1.1310137604114514
Energy: 1.382844223346384
Energy: 1.131623748944043
Energy: 1.3305235814062228
Energy: 1.496463479108542
Energy: 1.3305235814062228
Energy: 1.1316237489424619
Energy: 1.3305235814046417
Energy: 1.437130861145464
Energy: 1.3829353015023798
Energy: 1.5414016452573216
Energy: 1.3829353015023798
Energy: 1.437130861145464
Energy: 1.3829353015023798
Energy: 1.5060969151603576
Energy: 1.340549092052495
Energy: 1.4968557203217172
Energy: 1.3405490920556569
Energy: 1.5060969151603576
Energy: 1.3405490920540761

minimum gb energy = 1.118835968680475 eV
minimum distance =  2.20347643574086 Angstroms
sigma value = 19


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

Energy: 1.488131301462949
Energy: 1.455184332006551
Energy: 1.2987101620358408
Energy: 1.455184332006551
Energy: 1.4881313014620108
Energy: 1.455184332006551
Energy: 1.2771466461482157
Energy: 1.440525909389177
Energy: 1.3806911337492855
Energy: 1.440525909389177
Energy: 1.2771466461482157
Energy: 1.440525909389177
Energy: 1.2296812450825518
Energy: 1.4540139762245812
Energy: 1.3937149566774227
Energy: 1.4540139762245812
Energy: 1.2296812450825518
Energy: 1.4540139762245812
Energy: 1.254329231164108
Energy: 1.432798071550589
Energy: 1.4405743772813833
Energy: 1.432798071550589
Energy: 1.254329231164108
Energy: 1.432798071550589
Energy: 1.254447588686521
Energy: 1.4514553597491608
Energy: 1.4413197261983317
Energy: 1.451455359748223
Energy: 1.254447588686521
Energy: 1.451455359748223
Energy: 1.4410615807664875
Energy: 1.4513085047902596
Energy: 1.2544950935827026
Energy: 1.4513085047902596
Energy: 1.4410615807664875
Energy: 1.4513085047902596
Energy: 1.4406521603352782
Energy: 1.4328122987500065
Energy: 1.2912246987951979
Energy: 1.4328122987490688
Energy: 1.4406521603343403
Energy: 1.4328122987490688
Energy: 1.3937135596756538
Energy: 1.4539843079801327
Energy: 1.2296674231373927
Energy: 1.4539843079801327
Energy: 1.3937135596756538
Energy: 1.4539843079801327
Energy: 1.3806620383903083
Energy: 1.4405594262604065
Energy: 1.2664133710364915
Energy: 1.4405594262604065
Energy: 1.3806620383903083
Energy: 1.4405594262604065
Energy: 1.3144429111466223
Energy: 1.455184332005613
Energy: 1.488131301462949
Energy: 1.455184332006551
Energy: 1.3144429111456843
Energy: 1.455184332006551
Energy: 1.3806911337492855
Energy: 1.4405259093901148
Energy: 1.270277919061898
Energy: 1.440525909389177
Energy: 1.3806911337492855
Energy: 1.440525909389177
Energy: 1.3937149566764846
Energy: 1.454013976225519
Energy: 1.2296812450825518
Energy: 1.454013976225519
Energy: 1.3937149566764846
Energy: 1.454013976225519
Energy: 1.4405743772813833
Energy: 1.4327980715496513
Energy: 1.254329231164108
Energy: 1.432798071550589
Energy: 1.4405743772813833
Energy: 1.432798071550589
Energy: 1.441319726197394
Energy: 1.4514553597491608
Energy: 1.254447588686521
Energy: 1.451455359748223
Energy: 1.441319726197394
Energy: 1.451455359748223
Energy: 1.2544950935827026
Energy: 1.4513085047902596
Energy: 1.4462389375166596
Energy: 1.4513085047902596
Energy: 1.2544950935827026
Energy: 1.4513085047902596
Energy: 1.3237740108510456
Energy: 1.4328122987490688
Energy: 1.4406521603352782
Energy: 1.4328122987490688
Energy: 1.3237740108510456
Energy: 1.4328122987490688
Energy: 1.2296674231364546
Energy: 1.4539843079810704
Energy: 1.3937135596756538
Energy: 1.4539843079801327
Energy: 1.2296674231364546
Energy: 1.4539843079801327
Energy: 1.2664133710355538
Energy: 1.4405594262604065
Energy: 1.3806620383893706
Energy: 1.4405594262604065
Energy: 1.2664133710355538
Energy: 1.4405594262604065
Energy: 1.4881313014620108
Energy: 1.455184332006551
Energy: 1.3144429111456843
Energy: 1.455184332006551
Energy: 1.4881313014620108
Energy: 1.455184332006551
Energy: 1.270277919061898
Energy: 1.440525909389177
Energy: 1.3806911337492855
Energy: 1.440525909389177
Energy: 1.270277919061898
Energy: 1.440525909389177
Energy: 1.2296812450825518
Energy: 1.4540139762245812
Energy: 1.3937149566774227
Energy: 1.454013976225519
Energy: 1.2296812450825518
Energy: 1.454013976225519
Energy: 1.254329231164108
Energy: 1.432798071550589
Energy: 1.4405743772813833
Energy: 1.432798071550589
Energy: 1.254329231164108
Energy: 1.432798071550589
Energy: 1.254447588686521
Energy: 1.451455359748223
Energy: 1.441319726197394
Energy: 1.4514553597491608
Energy: 1.254447588686521
Energy: 1.451455359748223
Energy: 1.4407501036752677
Energy: 1.4513085047902596
Energy: 1.2544950935827026
Energy: 1.4513085047902596
Energy: 1.4407501036752677
Energy: 1.4513085047902596
Energy: 1.4406521603343403
Energy: 1.4328122987490688
Energy: 1.3237740108519838
Energy: 1.4328122987490688
Energy: 1.4406521603352782
Energy: 1.4328122987500065
Energy: 1.3937135596756538
Energy: 1.4539843079801327
Energy: 1.2296674231364546
Energy: 1.4539843079801327
Energy: 1.3937135596756538
Energy: 1.4539843079801327
Energy: 1.3806620383893706
Energy: 1.4405594262604065
Energy: 1.2664133710364915
Energy: 1.4405594262604065
Energy: 1.3806620383903083
Energy: 1.4405594262604065
Energy: 1.3144429111456843
Energy: 1.455184332006551
Energy: 1.488131301462949
Energy: 1.455184332005613
Energy: 1.3144429111456843
Energy: 1.455184332005613
Energy: 1.3806911337492855
Energy: 1.440525909389177
Energy: 1.270277919061898
Energy: 1.4405259093901148
Energy: 1.3806911337492855
Energy: 1.440525909389177
Energy: 1.3937149566764846
Energy: 1.454013976225519
Energy: 1.2296812450825518
Energy: 1.454013976225519
Energy: 1.3937149566764846
Energy: 1.454013976225519

minimum gb energy = 1.2296674231364546 eV
minimum distance =  2.19206213804273 Angstroms
sigma value = 27


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

Energy: 1.273135477914238
Energy: 1.3882947560991896
Energy: 1.5269217342738624
Energy: 1.3882947560993988
Energy: 1.2731354779140032
Energy: 1.3882947560991896
Energy: 1.254941844940605
Energy: 1.3797175455522042
Energy: 1.273830394353152
Energy: 1.3797175455522042
Energy: 1.2549418449408398
Energy: 1.3797175455519954
Energy: 1.2743648917186896
Energy: 1.487068611206717
Energy: 1.2981752313536148
Energy: 1.487068611206717
Energy: 1.2743648917189243
Energy: 1.487068611206717
Energy: 1.2697936536467458
Energy: 1.3837469681084253
Energy: 1.2737203381593436
Energy: 1.3837469681079553
Energy: 1.2697936536467458
Energy: 1.3837469681081902
Energy: 1.300217361304824
Energy: 1.3829076040031592
Energy: 1.344039063840898
Energy: 1.382907604002924
Energy: 1.3002173613045893
Energy: 1.3829076040031592
Energy: 1.2735422788803181
Energy: 1.4231187524569446
Energy: 1.2981787822376358
Energy: 1.4231187524576492
Energy: 1.2735422788803181
Energy: 1.4231187524578581
Energy: 1.2981121357424046
Energy: 1.3795802418385503
Energy: 1.273602778728965
Energy: 1.3795802418387852
Energy: 1.2981121357421697
Energy: 1.3795802418387852
Energy: 1.2691544658972564
Energy: 1.382613251001831
Energy: 1.3001386097557963
Energy: 1.3826132510020657
Energy: 1.2691544658970475
Energy: 1.3826132510020657
Energy: 1.2736742569597932
Energy: 1.3843673710173965
Energy: 1.2545636656674135
Energy: 1.3843673710171618
Energy: 1.2736742569597932
Energy: 1.3843673710171618
Energy: 1.2736407547144402
Energy: 1.4805546431486867
Energy: 1.2736471513984176
Energy: 1.4805546431486867
Energy: 1.273640754714205
Energy: 1.4805546431486867
Energy: 1.2979918921610176
Energy: 1.3843253444703574
Energy: 1.2736642446071036
Energy: 1.3843253444705923
Energy: 1.2979918921612525
Energy: 1.3843253444708272
Energy: 1.3001503811907158
Energy: 1.3826217166679073
Energy: 1.26938612010928
Energy: 1.3826217166676724
Energy: 1.300150381190951
Energy: 1.3826217166676724

minimum gb energy = 1.2545636656674135 eV
minimum distance =  2.22567686776783 Angstroms
sigma value = 9


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

Energy: 1.468326005059643
Energy: 1.500980552088753
Energy: 1.4143808367292967
Energy: 1.500980552088753
Energy: 1.468326005059643
Energy: 1.500980552088753
Energy: 1.4106773130401977
Energy: 1.4687833775436918
Energy: 1.2689048229603184
Energy: 1.479190013264538
Energy: 1.410677313040843
Energy: 1.4560877137583668
Energy: 1.2607123986608042
Energy: 1.4853351355474718
Energy: 1.265016490525631
Energy: 1.4853351355468263
Energy: 1.2607123986608042
Energy: 1.4853351355468263
Energy: 1.2590147572486234
Energy: 1.4836480113285886
Energy: 1.2349009424152508
Energy: 1.483648011327943
Energy: 1.2590147572486234
Energy: 1.483648011327943
Energy: 1.2570352364194777
Energy: 1.475205565991786
Energy: 1.2451301213388801
Energy: 1.4752055659924315
Energy: 1.2570352364188322
Energy: 1.4752055659924315
Energy: 1.2411493738908652
Energy: 1.4500440514786612
Energy: 1.26190834220333
Energy: 1.4314865114627866
Energy: 1.2411493738908652
Energy: 1.4500440514793067
Energy: 1.3170645734417097
Energy: 1.4732929349867174
Energy: 1.2561508347278258
Energy: 1.473292934987363
Energy: 1.3170645734417097
Energy: 1.473292934987363
Energy: 1.2566134938915348
Energy: 1.4819139446629614
Energy: 1.3033259484859714
Energy: 1.4819139446629614
Energy: 1.2566134938908893
Energy: 1.4819139446629614
Energy: 1.3168684563978061
Energy: 1.4441170606422151
Energy: 1.2714545043822418
Energy: 1.4441170606422151
Energy: 1.3168684563965154
Energy: 1.4441170606422151
Energy: 1.2618700114063115
Energy: 1.4858514945315413
Energy: 1.2561833560467668
Energy: 1.4858514945315413
Energy: 1.261870011406957
Energy: 1.4858514945315413
Energy: 1.3187908760415297
Energy: 1.4797389375414216
Energy: 1.2653978903508671
Energy: 1.4797389375414216
Energy: 1.3187908760415297
Energy: 1.4797389375414216
Energy: 1.2693013730532978
Energy: 1.477562569285895
Energy: 1.2574145445058251
Energy: 1.477562569285895
Energy: 1.2693013730532978
Energy: 1.477562569285895
Energy: 1.2391952105595971
Energy: 1.422518587212326
Energy: 1.2439543771091646
Energy: 1.4225185872116806
Energy: 1.2391952105595971
Energy: 1.4225185872116806
Energy: 1.3463954911299116
Energy: 1.4937527328507914
Energy: 1.2438370510418983
Energy: 1.4937527328514368
Energy: 1.3463954911299116
Energy: 1.4937527328514368
Energy: 1.2671530971362797
Energy: 1.4788104165042506
Energy: 1.301036675614013
Energy: 1.4788104165036051
Energy: 1.2671530971362797
Energy: 1.4788104165042506
Energy: 1.3185297634664537
Energy: 1.4700418795785217
Energy: 1.2570428206648139
Energy: 1.4700418795785217
Energy: 1.3185297634664537
Energy: 1.4700418795778765
Energy: 1.2619007927889057
Energy: 1.4847567289787136
Energy: 1.3030239859755488
Energy: 1.4847567289787136
Energy: 1.2619007927889057
Energy: 1.4847567289787136
Energy: 1.279149659897864
Energy: 1.4272377612674962
Energy: 1.2643138534459224
Energy: 1.4272377612668508
Energy: 1.2791496598972185
Energy: 1.4272377612681417
Energy: 1.2565306940871985
Energy: 1.4845371960377287
Energy: 1.23951476196752
Energy: 1.4845371960377287
Energy: 1.2565306940871985
Energy: 1.4845371960377287
Energy: 1.2392369059130044
Energy: 1.5256177478386441
Energy: 1.2392812668801203
Energy: 1.5256177478379989
Energy: 1.2392369059136499
Energy: 1.5256177478379989
Energy: 1.23911500438611
Energy: 1.4843482191818622
Energy: 1.2565544115487433
Energy: 1.4843482191825077
Energy: 1.23911500438611
Energy: 1.4843482191818622
Energy: 1.2642338445971586
Energy: 1.427014171803255
Energy: 1.2791567059865843
Energy: 1.427014171803255
Energy: 1.2642338445971586
Energy: 1.4270141718026095
Energy: 1.3032176520691552
Energy: 1.484745972473588
Energy: 1.2619810373388047
Energy: 1.4847459724742336
Energy: 1.3032176520698004
Energy: 1.4847459724742336
Energy: 1.2570326251390271
Energy: 1.4700752935231614
Energy: 1.318536906782955
Energy: 1.4700752935225163
Energy: 1.2570326251383817
Energy: 1.4700752935225163
Energy: 1.301601524035198
Energy: 1.4788326506822238
Energy: 1.267161316150906
Energy: 1.4788326506828693
Energy: 1.301601524035198
Energy: 1.4788326506828693
Energy: 1.2442035674881784
Energy: 1.4941951196012513
Energy: 1.3464322210557484
Energy: 1.4941951196025418
Energy: 1.2442035674888237
Energy: 1.4941951196025418
Energy: 1.2439610518990698
Energy: 1.422554384729037
Energy: 1.2390927550120108
Energy: 1.4225543847283915
Energy: 1.2439610518990698
Energy: 1.4225543847283915
Energy: 1.2575413418045975
Energy: 1.4775345933097703
Energy: 1.269310909338356
Energy: 1.4775345933097703
Energy: 1.2575413418045975
Energy: 1.4775345933097703
Energy: 1.2654005179108132
Energy: 1.4796370717988607
Energy: 1.3456791147712606
Energy: 1.4796370717995064
Energy: 1.2654005179114587
Energy: 1.4796370717995064
Energy: 1.256178921887052
Energy: 1.4859139007880804
Energy: 1.2619706924366723
Energy: 1.485913900787435
Energy: 1.256178921887052
Energy: 1.485913900787435
Energy: 1.264593054335213
Energy: 1.4441170606422151
Energy: 1.3170386766311133
Energy: 1.4441170606428606
Energy: 1.264593054335213
Energy: 1.4441170606428606
Energy: 1.303442288945861
Energy: 1.4817271132656897
Energy: 1.2565071158577328
Energy: 1.4817271132663352
Energy: 1.3034422889452155
Energy: 1.4817271132663352
Energy: 1.2562087042224477
Energy: 1.4733542768255787
Energy: 1.3172433316598946
Energy: 1.4733542768262244
Energy: 1.2562087042224477
Energy: 1.4733542768262244
Energy: 1.262081848677891
Energy: 1.45485231964129
Energy: 1.2411459933277231
Energy: 1.45485231964129
Energy: 1.262081848677891
Energy: 1.45485231964129
Energy: 1.2349368260283415
Energy: 1.4753754085995487
Energy: 1.2570350490183864
Energy: 1.4753754085989033
Energy: 1.234936826027696
Energy: 1.4753754085989033
Energy: 1.234896919687566
Energy: 1.4836751712815897
Energy: 1.2590167054721866
Energy: 1.4836751712815897
Energy: 1.2348969196869206
Energy: 1.4836751712809442
Energy: 1.265004674268841
Energy: 1.485207860090753
Energy: 1.260713182871721
Energy: 1.485207860092044
Energy: 1.265004674268841
Energy: 1.485207860092044
Energy: 1.2693881413811847
Energy: 1.4566740973816916
Energy: 1.4103967777972184
Energy: 1.4566740973816916
Energy: 1.2693881413818302
Energy: 1.4694373947719654
Energy: 1.3508550016216159
Energy: 1.500980552088753
Energy: 1.4683260050602884
Energy: 1.5009805520881072
Energy: 1.3508550016222614
Energy: 1.5009805520881072
Energy: 1.2689048229603184
Energy: 1.479190013264538
Energy: 1.410677313040843
Energy: 1.4791900132651834
Energy: 1.2689048229609639
Energy: 1.4791900132651834
Energy: 1.265016490525631
Energy: 1.4853351355461808
Energy: 1.2607123986614497
Energy: 1.4853351355474718
Energy: 1.265016490525631
Energy: 1.4853351355474718
Energy: 1.2349009424152508
Energy: 1.4836480113272976
Energy: 1.2590147572486234
Energy: 1.483648011329234
Energy: 1.2349009424152508
Energy: 1.483648011327943
Energy: 1.2509226435232037
Energy: 1.4752055659924315
Energy: 1.2570352364201232
Energy: 1.475205565993077
Energy: 1.2509226435232037
Energy: 1.475205565993077

minimum gb energy = 1.2348969196869206 eV
minimum distance =  2.18702150833142 Angstroms
sigma value = 57


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

Energy: 1.237604084209378
Energy: 1.135920908061454
Energy: 1.1995861660483222
Energy: 1.135920908061454
Energy: 1.237604084209378
Energy: 1.135920908061454
Energy: 1.030301623514098
Energy: 1.438252708069911
Energy: 1.0494515385831844
Energy: 1.4382527080684415
Energy: 1.030301623514098
Energy: 1.4382527080684415
Energy: 1.0323901127745534
Energy: 1.051547249722272
Energy: 1.0719359142294682
Energy: 1.051547249722272
Energy: 1.0323901127745534
Energy: 1.051547249722272
Energy: 1.0491702396334495
Energy: 1.0489514998764116
Energy: 1.099656957276215
Energy: 1.0489514998764116
Energy: 1.0491702396334495
Energy: 1.0489514998764116
Energy: 1.0494986315131187
Energy: 1.1349602239434078
Energy: 1.0999124324516671
Energy: 1.1349602239419387
Energy: 1.0494986315131187
Energy: 1.1349602239419387
Energy: 1.048977304064408
Energy: 1.0523037972680296
Energy: 1.0308936338714385
Energy: 1.052303797269499
Energy: 1.048977304064408
Energy: 1.052303797269499
Energy: 1.0489652683844883
Energy: 1.0523595091476297
Energy: 1.0308352365330007
Energy: 1.0523595091476297
Energy: 1.0489652683844883
Energy: 1.0523595091476297
Energy: 1.0494862323777785
Energy: 1.1353105398318284
Energy: 1.0997216538065067
Energy: 1.1353105398318284
Energy: 1.0494862323792478
Energy: 1.1353105398318284
Energy: 1.0491382826662499
Energy: 1.0504576563029986
Energy: 1.0997353796068672
Energy: 1.0504576563029986
Energy: 1.0491382826662499
Energy: 1.0504576563029986
Energy: 1.0322262042684087
Energy: 1.049862578223892
Energy: 1.0721805007735221
Energy: 1.0498625782253612
Energy: 1.0322262042684087
Energy: 1.049862578223892
Energy: 1.0302275346307856
Energy: 1.438252708069911
Energy: 1.1010793328280462
Energy: 1.438252708069911
Energy: 1.0302275346307856
Energy: 1.43825270807138
Energy: 1.237604084209378
Energy: 1.135920908061454
Energy: 1.1121383468807509
Energy: 1.135920908061454
Energy: 1.237604084209378
Energy: 1.135920908061454
Energy: 1.030301623514098
Energy: 1.438252708069911
Energy: 1.0494515385831844
Energy: 1.438252708069911
Energy: 1.0303016235155673
Energy: 1.438252708069911
Energy: 1.0323901127745534
Energy: 1.0515472497237413
Energy: 1.071935914358736
Energy: 1.0515472497237413
Energy: 1.0323901127745534
Energy: 1.0515472497237413
Energy: 1.0491702396334495
Energy: 1.0489514998764116
Energy: 1.0524027940417167
Energy: 1.0489514998764116
Energy: 1.0491702396334495
Energy: 1.0489514998764116
Energy: 1.0494986315131187
Energy: 1.1349602239419387
Energy: 1.0491862283743176
Energy: 1.1349602239419387
Energy: 1.0494986315116497
Energy: 1.1349602239419387
Energy: 1.048977304064408
Energy: 1.0523037972680296
Energy: 1.030893633872908
Energy: 1.0523037972680296
Energy: 1.048977304064408
Energy: 1.0523037972680296
Energy: 1.0489652683844883
Energy: 1.0523595091476297
Energy: 1.0308352365330007
Energy: 1.0523595091476297
Energy: 1.0489652683844883
Energy: 1.0523595091476297
Energy: 1.0494862323792478
Energy: 1.1353105398318284
Energy: 1.0525534928691798
Energy: 1.1353105398318284
Energy: 1.0494862323792478
Energy: 1.1353105398318284

minimum gb energy = 1.0302275346307856 eV
minimum distance =  2.23414807869068 Angstroms
sigma value = 11


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

Energy: 1.0968757502046207
Energy: 1.3915198804018967
Energy: 1.12426376050854
Energy: 1.3915198804018967
Energy: 1.0968757502035444
Energy: 1.3915198804018967
Energy: 1.3754653163505033
Energy: 1.0194365997925119
Energy: 0.9558209602770612
Energy: 1.0194365997914356
Energy: 1.3754653163505033
Energy: 1.0194365997914356
Energy: 1.0862427734554383
Energy: 1.0120984152526482
Energy: 1.0776399569104307
Energy: 1.0120984152536754
Energy: 1.0862427734554383
Energy: 1.0120984152536754
Energy: 0.9641405056826478
Energy: 0.9717202261147978
Energy: 0.9557268820486978
Energy: 0.9717202261147978
Energy: 0.9641405056826478
Energy: 0.9717202261147978
Energy: 0.9595891186391731
Energy: 1.3928151033352487
Energy: 0.9753268643376778
Energy: 1.3928151033352487
Energy: 0.9595891186391731
Energy: 1.3928151033352487
Energy: 0.969910040100829
Energy: 1.3818801968364611
Energy: 0.9560375009081149
Energy: 1.3818801968364611
Energy: 0.969910040100829
Energy: 1.3818801968364611
Energy: 0.973731657299532
Energy: 0.9612420107719362
Energy: 0.9623948001913841
Energy: 0.9612420107719362
Energy: 0.973731657299532
Energy: 0.9612420107719362
Energy: 0.9782309558405556
Energy: 1.3895551062312819
Energy: 0.9772075362505653
Energy: 1.3895551062302054
Energy: 0.9782309558394793
Energy: 1.3895551062302054
Energy: 0.9785554071806989
Energy: 1.3912514073547175
Energy: 1.3735144524070575
Energy: 1.3912514073536413
Energy: 0.9785554071806989
Energy: 1.3912514073536413
Energy: 0.9698196839988862
Energy: 0.9609979295171238
Energy: 0.9556790313411886
Energy: 0.9609979295160475
Energy: 0.9698196839988862
Energy: 0.9609979295171238
Energy: 0.9735241414897904
Energy: 1.3770084985725992
Energy: 0.9619942456572003
Energy: 1.3770084985725992
Energy: 0.9735241414897904
Energy: 1.3770084985725992
Energy: 0.9568928498219502
Energy: 1.3890613452352267
Energy: 0.9557234731326921
Energy: 1.3890613452352267
Energy: 0.9568928498219502
Energy: 1.3890613452352267
Energy: 0.9769675336541921
Energy: 0.9704992843957209
Energy: 0.9894622086063402
Energy: 0.9704992843967972
Energy: 0.9769675336531156
Energy: 0.9704992843967972
Energy: 0.9559481542086625
Energy: 0.9616878469590757
Energy: 0.9688465964212013
Energy: 0.9616878469590757
Energy: 0.955948154207586
Energy: 0.9616878469579994
Energy: 1.3774818765395567
Energy: 1.0191113302819774
Energy: 0.9618054382773971
Energy: 1.019111330283054
Energy: 1.377481876540633
Energy: 1.0191113302819774
Energy: 0.9774718169124564
Energy: 1.389977469587317
Energy: 0.9727318910034376
Energy: 1.3899774695862408
Energy: 0.9774718169113801
Energy: 1.3899774695862408
Energy: 1.1720170057736807
Energy: 1.0196348331364788
Energy: 0.9754680389325149
Energy: 1.0196348331354026
Energy: 1.1720170057736807
Energy: 1.0196348331364788
Energy: 0.955858849200051
Energy: 1.0108354979681402
Energy: 0.9838122395622242
Energy: 1.0108354979681402
Energy: 0.955858849200051
Energy: 1.0108354979692165
Energy: 0.9605397520401443
Energy: 0.9726936386650071
Energy: 0.961695118539097
Energy: 0.9726936386639309
Energy: 0.9605397520412208
Energy: 0.9726936386650071
Energy: 0.9568076636770605
Energy: 1.3921537716459913
Energy: 0.9710130604843745
Energy: 1.3921537716459913
Energy: 0.9568076636770605
Energy: 1.3921537716459913
Energy: 1.0210676962405252
Energy: 1.3787006309607979
Energy: 0.9556652252453793
Energy: 1.3787006309607979
Energy: 1.021067696239449
Energy: 1.3787006309607979
Energy: 0.9699050737780988
Energy: 1.01100174436792
Energy: 0.9590277001680091
Energy: 1.0110017443668435
Energy: 0.9699050737780988
Energy: 1.0110017443668435
Energy: 0.972931530943358
Energy: 1.386442124585917
Energy: 0.9767902644780408
Energy: 1.386442124585917
Energy: 0.9729315309444344
Energy: 1.386442124585917
Energy: 0.9567018706638837
Energy: 1.3928881080125608
Energy: 1.373596119766114
Energy: 1.3928881080114843
Energy: 0.9567018706628074
Energy: 1.3928881080114843
Energy: 0.9691242443688635
Energy: 0.9608173326041674
Energy: 0.955795099853846
Energy: 0.9608173326041674
Energy: 0.9691242443688635
Energy: 0.9608173326041674
Energy: 0.9696949512014118
Energy: 1.3770793425473629
Energy: 0.958411635744564
Energy: 1.3770793425473629
Energy: 0.9696949512014118
Energy: 1.3770793425473629

minimum gb energy = 0.9556652252453793 eV
minimum distance =  2.25495199613818 Angstroms
sigma value = 41


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

Energy: 1.4412711798524473
Energy: 1.2798116886024635
Energy: 0.9215661358432
Energy: 1.279811688601615
Energy: 1.4412711798524473
Energy: 1.279811688601615
Energy: 1.626815780343573
Energy: 0.9550483518535655
Energy: 0.8830874507592161
Energy: 0.9550483518535655
Energy: 1.626815780343573
Energy: 0.955048351854414
Energy: 0.9534652816235418
Energy: 1.2450085455478588
Energy: 0.9195104196386885
Energy: 1.2450085455470106
Energy: 0.9534652816226935
Energy: 1.2450085455478588
Energy: 1.4289754759138986
Energy: 0.9032866625126567
Energy: 0.8828407872675236
Energy: 0.9032866625126567
Energy: 1.4289754759138986
Energy: 0.9032866625126567
Energy: 0.9805461790993094
Energy: 0.8831839459115038
Energy: 0.9075763186088633
Energy: 0.8831839459106555
Energy: 0.9805461790993094
Energy: 0.8831839459106555
Energy: 1.2319092725285323
Energy: 1.2339928772383382
Energy: 0.8829278197649963
Energy: 1.2339928772383382
Energy: 1.2319092725285323
Energy: 1.2339928772383382
Energy: 0.8877049628415802
Energy: 1.2381958618391022
Energy: 0.8852004409203836
Energy: 1.2381958618382536
Energy: 0.8877049628415802
Energy: 1.2381958618391022
Energy: 1.283628996831278
Energy: 1.238195490814378
Energy: 0.8989413481667543
Energy: 1.238195490814378
Energy: 1.283628996831278
Energy: 1.238195490814378
Energy: 0.9058215541875227
Energy: 0.8830061502160428
Energy: 1.2087241962562063
Energy: 0.8830061502160428
Energy: 0.9058215541875227
Energy: 0.8830061502168911
Energy: 1.2381204481653505
Energy: 1.238074443226767
Energy: 1.2186532353453519
Energy: 1.238074443226767
Energy: 1.238120448166199
Energy: 1.238074443226767
Energy: 1.2368986889762237
Energy: 1.2383889151160405
Energy: 1.2187439404151856
Energy: 1.2383889151168888
Energy: 1.236898688977072
Energy: 1.2383889151168888
Energy: 0.9015085470472478
Energy: 1.2536092487991068
Energy: 0.8989700001803764
Energy: 1.2536092487991068
Energy: 0.9015085470480961
Energy: 1.238154808069128
Energy: 0.905790842480822
Energy: 1.2346922982116704
Energy: 1.2087600956866815
Energy: 1.2346922982116704
Energy: 0.905790842480822
Energy: 1.2346922982116704
Energy: 0.8837489383974237
Energy: 1.2379369679474466
Energy: 0.8829569636486703
Energy: 1.2379369679482948
Energy: 0.8837489383974237
Energy: 1.2379369679482948
Energy: 1.231101437412262
Energy: 1.2354274872514213
Energy: 0.8850751430234529
Energy: 1.2354274872514213
Energy: 1.231101437412262
Energy: 1.2354274872514213
Energy: 0.8830374400929618
Energy: 1.2380892476349108
Energy: 0.8829280056916078
Energy: 1.238089247635759
Energy: 0.8830374400929618
Energy: 1.238089247635759
Energy: 1.2089710631276673
Energy: 1.2631747310393
Energy: 0.9078964633288574
Energy: 1.2631747310393
Energy: 1.2089710631276673
Energy: 1.2631747310393
Energy: 0.8986572049559775
Energy: 1.2379870441774468
Energy: 0.9006054743854872
Energy: 1.2379870441774468
Energy: 0.8986572049559775
Energy: 1.2379870441774468
Energy: 1.6262565224557766
Energy: 0.9551267012560928
Energy: 0.8851900537712024
Energy: 0.9551267012560928
Energy: 1.6262565224557766
Energy: 0.9551267012552445
Energy: 1.218941061954233
Energy: 1.238027547888174
Energy: 1.2371315573907626
Energy: 1.238027547888174
Energy: 1.2189410619550813
Energy: 1.238027547888174
Energy: 1.6172506234371133
Energy: 0.9537917065138007
Energy: 0.902857229449327
Energy: 0.9537917065138007
Energy: 1.6172506234371133
Energy: 0.9537917065129525
Energy: 0.8985960078642782
Energy: 1.237720229056751
Energy: 0.9009528131410229
Energy: 1.237720229056751
Energy: 0.89859600786343
Energy: 1.237720229056751
Energy: 1.4507678493012843
Energy: 0.9005575981253685
Energy: 0.8848159202031589
Energy: 0.9005575981262168
Energy: 1.4507678493012843
Energy: 0.9005575981262168
Energy: 0.8830637585340867
Energy: 1.2339868517281736
Energy: 1.0700970360632032
Energy: 1.2339868517281736
Energy: 0.8830637585340867
Energy: 1.2339868517281736
Energy: 1.069232471072423
Energy: 1.2335007039252286
Energy: 0.8829029777599425
Energy: 1.2335007039243802
Energy: 1.069232471072423
Energy: 1.2335007039243802
Energy: 0.8835321789034166
Energy: 0.9007592615122983
Energy: 1.0499842962106354
Energy: 0.9007592615131467
Energy: 0.8835321789034166
Energy: 0.9007592615131467
Energy: 1.2845841154596196
Energy: 1.2371822789476383
Energy: 0.8986972022323687
Energy: 1.2371822789476383
Energy: 1.2845841154596196
Energy: 1.2371822789476383
Energy: 0.9017479933969661
Energy: 1.250176720710311
Energy: 1.4160434605697425
Energy: 1.250176720710311
Energy: 0.9017479933969661
Energy: 1.250176720710311
Energy: 1.2368610183505497
Energy: 1.2373473057209872
Energy: 1.2185202249683134
Energy: 1.2373473057218354
Energy: 1.2368610183505497
Energy: 1.2373473057218354
Energy: 0.8835107607362458
Energy: 1.0914502715494552
Energy: 1.414870680704591
Energy: 1.0914502715503036
Energy: 0.8835107607362458
Energy: 1.0914502715503036
Energy: 0.902228673633114
Energy: 1.2372298535404989
Energy: 0.8986198213603988
Energy: 1.2372298535396506
Energy: 0.902228673633114
Energy: 1.2372298535404989
Energy: 0.9015046938784165
Energy: 1.2631071773996458
Energy: 1.208752584917622
Energy: 1.2631071773996458
Energy: 0.9015046938784165
Energy: 1.2631071773996458
Energy: 0.8852139618154231
Energy: 1.2372858931358353
Energy: 0.8828595901945177
Energy: 1.2372858931349868
Energy: 0.8852139618154231
Energy: 1.2372858931349868

minimum gb energy = 0.8828407872675236 eV
minimum distance =  2.25550631506358 Angstroms
sigma value = 33


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

Energy: 1.1940250959338008
Energy: 1.0907441845157084
Energy: 0.8513442204098471
Energy: 1.090744184516304
Energy: 1.1940250959338008
Energy: 1.090744184516304
Energy: 1.7193508773094988
Energy: 0.8291060814822869
Energy: 0.8009187973126503
Energy: 0.8291060814828823
Energy: 1.7193508773094988
Energy: 0.8291060814828823
Energy: 1.1792617091770976
Energy: 1.0894688026332784
Energy: 0.9331971268769819
Energy: 1.089468802632683
Energy: 1.1792617091770976
Energy: 1.089468802632683
Energy: 1.5793434125221821
Energy: 0.8070443538545772
Energy: 0.8006506448296465
Energy: 0.8070443538551726
Energy: 1.5793434125227774
Energy: 0.8070443538551726
Energy: 0.8459460905962679
Energy: 1.0763282429665226
Energy: 0.80627465213835
Energy: 1.076328242965927
Energy: 0.8459460905968632
Energy: 1.0763282429653318
Energy: 1.3020820263187578
Energy: 1.0571293872556662
Energy: 0.8011644385337771
Energy: 1.0571293872556662
Energy: 1.3020820263187578
Energy: 1.0571293872556662
Energy: 0.8303910150520702
Energy: 1.0627922091553121
Energy: 0.7972687675980981
Energy: 1.0627922091553121
Energy: 0.8303910150520702
Energy: 1.0627922091559074
Energy: 1.16754261425353
Energy: 1.0565996034079086
Energy: 0.8054891390029421
Energy: 1.0565996034073133
Energy: 1.1675426142529346
Energy: 1.0565996034079086
Energy: 0.8057361305019684
Energy: 1.076162446986438
Energy: 0.9742255693769336
Energy: 1.0761624469876283
Energy: 0.8057361305019684
Energy: 1.076162446987033
Energy: 1.0328890516675362
Energy: 1.0726814163489733
Energy: 1.0241257022194192
Energy: 1.0726814163483778
Energy: 1.0328890516681313
Energy: 1.0726814163483778
Energy: 0.8022572485771787
Energy: 1.0625660972290616
Energy: 1.0237374939548924
Energy: 1.062566097228466
Energy: 0.8022572485765832
Energy: 1.062566097228466
Energy: 1.358546662070835
Energy: 1.0850133880461055
Energy: 1.037877463746464
Energy: 1.08501338804551
Energy: 1.3585466620714306
Energy: 1.08501338804551
Energy: 1.0275363794003187
Energy: 1.0692030191675197
Energy: 1.230359224052164
Energy: 1.0692030191657336
Energy: 1.0275363794003187
Energy: 1.0692030191663289
Energy: 1.0415363737823429
Energy: 1.0850784383145264
Energy: 1.2999727943219548
Energy: 1.0850784383139311
Energy: 1.0415363737817473
Energy: 1.0850784383139311
Energy: 1.03854188850723
Energy: 1.0727628016940676
Energy: 1.2997595686240453
Energy: 1.0727628016946629
Energy: 1.03854188850723
Energy: 1.0727628016946629
Energy: 1.030196371505414
Energy: 1.0847151093653382
Energy: 1.0379896345603674
Energy: 1.0847151093653382
Energy: 1.0301963715048188
Energy: 1.0847151093653382
Energy: 1.0276404983375351
Energy: 1.0693785803240727
Energy: 1.2303681952561243
Energy: 1.0693785803234777
Energy: 1.0276404983369396
Energy: 1.0693785803234777
Energy: 0.7970287249916007
Energy: 1.084969961343314
Energy: 1.0242732052518824
Energy: 1.0849699613439092
Energy: 0.7970287249916007
Energy: 1.0849699613439092
Energy: 1.037843068301784
Energy: 1.0828380977444665
Energy: 1.0238986486765875
Energy: 1.0828380977432757
Energy: 1.0378430683011886
Energy: 1.0828380977438712
Energy: 0.801221279917367
Energy: 1.0813284308283289
Energy: 0.8048785960471194
Energy: 1.081328430827138
Energy: 0.801221279917367
Energy: 1.081328430827138
Energy: 1.0222052312706436
Energy: 1.0702017785498033
Energy: 1.0220941828951076
Energy: 1.0702017785503986
Energy: 1.0222052312706436
Energy: 1.0702017785498033
Energy: 0.7997954599979044
Energy: 1.0848527509166055
Energy: 0.8011519420308856
Energy: 1.0848527509166055
Energy: 0.799795459999095
Energy: 1.0848527509166055
Energy: 1.3067487545932062
Energy: 1.0833077402568472
Energy: 0.7967758135757655
Energy: 1.0833077402574425
Energy: 1.3067487545938012
Energy: 1.0833077402568472
Energy: 0.8156085675214405
Energy: 1.0840734845117996
Energy: 0.801657040056163
Energy: 1.0840734845106093
Energy: 0.8156085675226313
Energy: 1.0840734845100137
Energy: 1.2952959368086854
Energy: 1.0785160350628171
Energy: 0.9810923616913542
Energy: 1.0785160350628171
Energy: 1.2952959368086854
Energy: 1.0785160350628171
Energy: 1.0383918311423526
Energy: 1.0845968803520267
Energy: 0.8099046869789056
Energy: 1.0845968803520267
Energy: 1.038391831142948
Energy: 1.084596880352622
Energy: 1.7240306023088503
Energy: 0.9423221809239554
Energy: 0.796779167295258
Energy: 0.9423221809239554
Energy: 1.7240306023094458
Energy: 0.9423221809239554
Energy: 1.064200877464315
Energy: 1.08392714161695
Energy: 1.03920415079983
Energy: 1.08392714161695
Energy: 1.064200877464315
Energy: 1.08392714161695
Energy: 1.436705854591641
Energy: 1.069168725022247
Energy: 1.0302717776385764
Energy: 1.0691687250210562
Energy: 1.436705854591641
Energy: 1.0691687250210562
Energy: 1.0387038861923596
Energy: 1.083725122828669
Energy: 1.0600752540647318
Energy: 1.0837251228292644
Energy: 1.0387038861929547
Energy: 1.0837251228292644
Energy: 1.4484688591590777
Energy: 0.8092414885916219
Energy: 0.7967365907769517
Energy: 0.8092414885922172
Energy: 1.4484688591590777
Energy: 0.8092414885916219
Energy: 0.8155764285331669
Energy: 1.0717995569108878
Energy: 0.9243809065226051
Energy: 1.0717995569108878
Energy: 0.8155764285331669
Energy: 1.0717995569108878
Energy: 1.1661961760402344
Energy: 1.0568937804786793
Energy: 0.8008756795885469
Energy: 1.0568937804774883
Energy: 1.1661961760402344
Energy: 1.0568937804780838
Energy: 0.799903255049384
Energy: 1.0562506392072697
Energy: 1.1797904612317358
Energy: 1.0562506392078652
Energy: 0.7999032550505748
Energy: 1.0562506392078652
Energy: 1.1778512238047705
Energy: 1.0561857346476813
Energy: 0.7998789849296916
Energy: 1.0561857346470858
Energy: 1.177851223805366
Energy: 1.0561857346470858
Energy: 0.8009783242991735
Energy: 1.0568770470125182
Energy: 1.166206427375423
Energy: 1.0568770470131137
Energy: 0.8009783242991735
Energy: 1.0568770470131137
Energy: 0.9243532482274172
Energy: 1.0717795615018801
Energy: 0.8153836729153235
Energy: 1.0717795615024757
Energy: 0.9243532482274172
Energy: 1.0717795615024757
Energy: 0.7967478391534181
Energy: 0.8094907620881571
Energy: 1.4483511521095176
Energy: 0.8094907620887524
Energy: 0.7967478391534181
Energy: 0.8094907620893477
Energy: 1.0600752540617548
Energy: 1.083973427619967
Energy: 1.0386311910786403
Energy: 1.0839734276205626
Energy: 1.0600752540623501
Energy: 1.0839734276205626
Energy: 0.9180344517550253
Energy: 1.069205363325234
Energy: 1.4367147940669907
Energy: 1.0692053633246386
Energy: 0.9180344517550253
Energy: 1.0692053633246386
Energy: 1.039227172216411
Energy: 1.0842777058417288
Energy: 1.0644476156924154
Energy: 1.084277705842324
Energy: 1.0392271722158157
Energy: 1.084277705842324
Energy: 0.7968024211973876
Energy: 0.9422682833277196
Energy: 1.7216762137148063
Energy: 0.9422682833283149
Energy: 0.7968024211973876
Energy: 0.9422682833277196
Energy: 0.8096992824056565
Energy: 1.0845671266874868
Energy: 1.037828604756715
Energy: 1.0845671266868913
Energy: 0.8096992824062519
Energy: 1.0845671266868913
Energy: 0.9174867539837402
Energy: 1.078486951887503
Energy: 1.2952829990297008
Energy: 1.0784869518863123
Energy: 0.9174867539837402
Energy: 1.0784869518869076
Energy: 0.8015234266923957
Energy: 1.0840577010405397
Energy: 0.8153782840440292
Energy: 1.0840577010399441
Energy: 0.8015234266923957
Energy: 1.0840577010405397
Energy: 0.7967901540230199
Energy: 1.0833077402580378
Energy: 1.306570297159568
Energy: 1.0833077402568472
Energy: 0.7967901540230199
Energy: 1.0833077402568472
Energy: 0.8011588562663969
Energy: 1.0848409924372309
Energy: 0.7997204627285363
Energy: 1.0848409924372309
Energy: 0.8011588562658016
Energy: 1.0848409924372309

minimum gb energy = 0.7967365907769517 eV
minimum distance =  2.27343255955608 Angstroms
sigma value = 67


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

Energy: 0.28054837693002455
Energy: 0.263182105993827
Energy: 1.6437692145232017
Energy: 0.263182105993827
Energy: 0.28054837693002455
Energy: 0.263182105993827
Energy: 0.24854577399570604
Energy: 0.7380252191247664
Energy: 0.6261051643929856
Energy: 0.7380252191239526
Energy: 0.24854577399570604
Energy: 0.7380252191243595
Energy: 0.28054837692961765
Energy: 0.263182105993827
Energy: 1.6473721459666335
Energy: 0.2631821059942339
Energy: 0.28054837692961765
Energy: 0.2631821059942339
Energy: 0.24854577399570604
Energy: 0.7380252191247664
Energy: 0.6261051643933926
Energy: 0.7380252191247664
Energy: 0.24854577399611297
Energy: 0.7380252191243595
Energy: 0.28054837693002455
Energy: 0.2631821059934653
Energy: 1.647372146490817
Energy: 0.263182105993827
Energy: 0.28054837692961765
Energy: 0.263182105993827
Energy: 0.24854577399570604
Energy: 0.7380252191247664
Energy: 0.6261051643933926
Energy: 0.7380252191247664
Energy: 0.24854577399570604
Energy: 0.7380252191243595
Energy: 0.28054837692961765
Energy: 0.263182105993827
Energy: 1.6473721468054268
Energy: 0.2631821059942339
Energy: 0.28054837693002455
Energy: 0.2631821059942339

minimum gb energy = 0.24854577399570604 eV
minimum distance =  2.43357140254474 Angstroms
sigma value = 3


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

Energy: 1.414488067809259
Energy: 1.061871966368105
Energy: 1.0091730766440175
Energy: 1.0618719663697296
Energy: 1.4144880678087175
Energy: 1.0618719663697296
Energy: 1.7232457776884624
Energy: 0.8291731353169773
Energy: 0.81107557240876
Energy: 0.829173135316436
Energy: 1.7232457776879206
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Energy: 1.0197573148219514
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Energy: 0.8691086766788968
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Energy: 0.8208053002533703
Energy: 1.544762262551821
Energy: 0.82080530024958
Energy: 0.8155761673582427
Energy: 0.8208053002501216
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Energy: 1.0498961960219642
Energy: 1.3463145018740363
Energy: 1.0498961960208812
Energy: 0.8181512659440492
Energy: 1.0498961960214228
Energy: 0.8101307074760533
Energy: 0.8215032133594913
Energy: 1.5041892586646772
Energy: 0.8215032133584083
Energy: 0.8101307074760533
Energy: 0.8215032133584083
Energy: 0.8791218318869302
Energy: 1.0395976602973864
Energy: 1.3996589334200713
Energy: 1.0395976602984693
Energy: 0.8791218318869302
Energy: 1.0395976602984693
Energy: 0.8177487707126833
Energy: 0.8612099028905306
Energy: 1.4984881626580548
Energy: 0.8612099028899892
Energy: 0.8177487707126833
Energy: 0.8612099028899892
Energy: 0.8676112362498255
Energy: 1.0198196487472821
Energy: 1.149602394604511
Energy: 1.0198196487467406
Energy: 0.867611236249284
Energy: 1.0198196487467406
Energy: 0.8831412209925221
Energy: 0.8065158966298692
Energy: 1.1339111651466225
Energy: 0.8065158966287863
Energy: 0.8831412209925221
Energy: 0.8065158966271618
Energy: 1.1240608972071706
Energy: 1.013484295610897
Energy: 1.1378355561091973
Energy: 1.013484295610897
Energy: 1.1240608972066293
Energy: 1.0134842956114383

minimum gb energy = 0.804537243082518 eV
minimum distance =  2.28034690640907 Angstroms
sigma value = 81


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

Energy: 1.3987279600444564
Energy: 0.9513473031529968
Energy: 1.2628211310559232
Energy: 0.9513473031567125
Energy: 1.3987279600444564
Energy: 0.9513473031537398
Energy: 1.6781650836274837
Energy: 0.9352220478568714
Energy: 0.9007861047923237
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Energy: 1.3580193676792673
Energy: 0.9036915537566899
Energy: 0.90560921518791
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Energy: 1.0039040068495084
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Energy: 0.9202938467476449
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Energy: 1.3514362124743908
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Energy: 0.9069479003539164
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Energy: 1.3597304602168907
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Energy: 0.9924252446329654
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Energy: 1.3513682947853678
Energy: 1.1738740643318764
Energy: 1.3513178457787454
Energy: 1.154730422460531
Energy: 0.9934437293364794
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Energy: 1.3513178457787454
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Energy: 0.9987182818788399
Energy: 0.89855300952531
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Energy: 0.898553009524567
Energy: 0.9987182818788399
Energy: 0.898553009524567
Energy: 0.9983028151342243
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Energy: 1.0183049519232468
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Energy: 0.9983028151349675
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Energy: 1.0042363106132812
Energy: 0.9202938467476449
Energy: 1.3409489643648544
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Energy: 1.0042363106132812
Energy: 0.9202938467476449
Energy: 1.0025211561626084
Energy: 1.1650142247190178
Energy: 1.3596183127236727
Energy: 1.1650142247190178
Energy: 1.0025211561626084
Energy: 1.1650142247197612
Energy: 0.9088130919396454
Energy: 0.8949793254727945
Energy: 1.4436356793739737
Energy: 0.8949793254750241
Energy: 0.9088130919396454
Energy: 0.8949793254750241
Energy: 0.9066574180853201
Energy: 1.170734735617456
Energy: 1.300554514862394
Energy: 1.1707347356167128
Energy: 0.9066574180853201
Energy: 1.1707347356167128
Energy: 0.9167825118317275
Energy: 0.9714066529142332
Energy: 1.546595595770406
Energy: 0.9714066529149764
Energy: 0.9167825118317275
Energy: 0.9714066529142332
Energy: 1.002446636448152
Energy: 1.1650660471826844
Energy: 1.3593454840103787
Energy: 1.1650660471826844
Energy: 1.002446636448152
Energy: 1.1650660471826844
Energy: 0.9146504404455762
Energy: 0.9665569473051095
Energy: 1.3542318030171014
Energy: 0.9665569473043663
Energy: 0.9146504404455762
Energy: 0.9665569473058526
Energy: 0.9842202326769873
Energy: 0.9092767628012817
Energy: 1.0179720049045808
Energy: 0.9092767628012817
Energy: 0.9842202326769873
Energy: 0.9092767628020247
Energy: 1.0038452179306254
Energy: 0.9003639141945714
Energy: 1.1754701210973426
Energy: 0.9003639141960577
Energy: 1.0038452179313686
Energy: 0.9003639141968008

minimum gb energy = 0.8949793254727945 eV
minimum distance =  2.24845668377305 Angstroms
sigma value = 43


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

Energy: 1.4341890943890954
Energy: 1.2727111071569115
Energy: 0.9624233354052024
Energy: 1.2727111071569115
Energy: 1.4341890943890954
Energy: 1.2727111071569115
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Energy: 1.4133786594481512
Energy: 0.9633301537533031
Energy: 0.9631259173598402
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Energy: 1.4133786594481512
Energy: 0.9633301537542159
Energy: 1.4120252058015477
Energy: 0.964246184273692
Energy: 1.3036312508064132
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Energy: 1.4120252058015477
Energy: 0.964246184273692
Energy: 1.4298982983932647
Energy: 1.2575707831322132
Energy: 0.9687884159130689
Energy: 1.2575707831322132
Energy: 1.4298982983932647
Energy: 1.2575707831322132
Energy: 1.4273735571476143
Energy: 1.2578634105143633
Energy: 0.9691817183160683
Energy: 1.2578634105143633
Energy: 1.427373557148527
Energy: 1.2578634105143633
Energy: 1.4134065993322331
Energy: 1.2733912276375523
Energy: 0.9635544810194957
Energy: 1.2733912276375523
Energy: 1.4134065993322331
Energy: 1.2733912276375523
Energy: 1.4119424383729173
Energy: 1.2937636013777798
Energy: 0.9639891061967932
Energy: 1.2937636013786928
Energy: 1.4119424383729173
Energy: 1.2937636013786928
Energy: 0.9683283227324186
Energy: 0.9599922595066611
Energy: 0.9633794936997625
Energy: 0.9599922595066611
Energy: 0.9683283227324186
Energy: 0.9599922595066611
Energy: 0.9668535201159026
Energy: 1.2579648256293436
Energy: 0.9627911130004438
Energy: 1.2579648256302562
Energy: 0.9668535201159026
Energy: 1.2579648256302562
Energy: 0.9627997760106067
Energy: 0.9615423176687724
Energy: 0.9644060334278618
Energy: 0.9615423176696852
Energy: 0.9627997760106067
Energy: 0.9615423176751623
Energy: 0.9763145821497974
Energy: 1.293642318613963
Energy: 1.0078558342099209
Energy: 1.293642318613963
Energy: 0.9763145821497974
Energy: 1.293642318613963
Energy: 0.9666198765245118
Energy: 0.9614063402843325
Energy: 1.4049559644708531
Energy: 0.9614063402843325
Energy: 0.9666198765245118
Energy: 0.9614063402852453
Energy: 0.9687673351212662
Energy: 1.257568171544017
Energy: 1.4260521739043597
Energy: 1.257568171544017
Energy: 0.9687673351212662
Energy: 1.257568171544017
Energy: 0.9712756813360478
Energy: 0.9641612781651859
Energy: 1.2380638105492483
Energy: 0.9641612781633602
Energy: 0.9712756813360478
Energy: 0.9641612781642731
Energy: 1.0051977630578854
Energy: 0.9638097976745154
Energy: 1.0077346193064483
Energy: 0.9638097976745154
Energy: 1.0051977630578854
Energy: 0.9638097976745154
Energy: 0.9659998349913133
Energy: 0.9635278182928342
Energy: 1.1995438279839672
Energy: 0.9635278182919214
Energy: 0.9659998349913133
Energy: 0.9635278182919214
Energy: 0.9653391354435774
Energy: 0.9623499581330701
Energy: 0.962536648658715
Energy: 0.9623499581330701
Energy: 0.9653391354435774
Energy: 0.9623499581330701

minimum gb energy = 0.9599922595066611 eV
minimum distance =  2.24865370559346 Angstroms
sigma value = 57


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

Energy: 1.1214443643236727
Energy: 1.0479550745242034
Energy: 1.4987459934765501
Energy: 1.0479550745242034
Energy: 1.1214443643236727
Energy: 1.0479550745242034
Energy: 1.0557281085512202
Energy: 1.1453140639403943
Energy: 1.0483191770979434
Energy: 1.1453140639403943
Energy: 1.0557281085500383
Energy: 1.1453140639403943
Energy: 1.049379379606218
Energy: 1.242141114074853
Energy: 1.2308082562063525
Energy: 1.242141114074853
Energy: 1.049379379606218
Energy: 1.2421411140736711
Energy: 1.054723815645147
Energy: 1.0547305838327752
Energy: 1.0481801871952874
Energy: 1.0547305838327752
Energy: 1.054723815645147
Energy: 1.0547305838327752
Energy: 1.0482885249633371
Energy: 1.0615636336255456
Energy: 1.068119171982151
Energy: 1.0615636336255456
Energy: 1.0482885249633371
Energy: 1.0615636336255456
Energy: 1.049246812828512
Energy: 1.04710833895026
Energy: 1.046206553374824
Energy: 1.04710833895026
Energy: 1.049246812828512
Energy: 1.04710833895026
Energy: 1.0544492519330222
Energy: 1.0543223249594398
Energy: 1.0682349770588508
Energy: 1.0543223249594398
Energy: 1.0544492519330222
Energy: 1.0543223249594398
Energy: 1.055570729417567
Energy: 1.0506490629790106
Energy: 1.1205071713603991
Energy: 1.0506490629790106
Energy: 1.055570729417567
Energy: 1.0506490629790106
Energy: 1.048255270985425
Energy: 1.1247867708287724
Energy: 1.081932432086307
Energy: 1.1247867708287724
Energy: 1.048255270985425
Energy: 1.1247867708287724
Energy: 1.0481770324738744
Energy: 1.0470929309159251
Energy: 1.046372486478974
Energy: 1.0470929309159251
Energy: 1.0481770324738744
Energy: 1.0470929309159251
Energy: 1.0545871905235729
Energy: 1.0509659087310577
Energy: 1.049299078517777
Energy: 1.0509659087310577
Energy: 1.0545871905235729
Energy: 1.0509659087310577
Energy: 1.0513253427822318
Energy: 1.0509589601739366
Energy: 1.0483458008771098
Energy: 1.0509589601739366
Energy: 1.0513253427822318
Energy: 1.0509589601739366
Energy: 1.0484167647210756
Energy: 1.0473322480096598
Energy: 1.1219086223680632
Energy: 1.047332248008478
Energy: 1.0484167647210756
Energy: 1.047332248008478
Energy: 1.0880746476509213
Energy: 1.0476700696230716
Energy: 1.0513449799486958
Energy: 1.0476700696242538
Energy: 1.0880746476497394
Energy: 1.0476700696230716
Energy: 1.6544383819636221
Energy: 1.0519176536161008
Energy: 1.0555928726692547
Energy: 1.0519176536161008
Energy: 1.6544383819636221
Energy: 1.0519176536161008
Energy: 1.051216507263527
Energy: 1.0469013347935154
Energy: 1.0491765747553408
Energy: 1.0469013347946974
Energy: 1.051216507262345
Energy: 1.0469013347946974
Energy: 1.0487077257177002
Energy: 1.0507212360746938
Energy: 1.0547989442136811
Energy: 1.0507212360746938
Energy: 1.0487077257177002
Energy: 1.0507212360746938
Energy: 1.0476932659223408
Energy: 1.0785481761198321
Energy: 1.0475862135593972
Energy: 1.0757275984995713
Energy: 1.0476932659223408
Energy: 1.0785481761198321
Energy: 1.0546767629173632
Energy: 1.0507048960241405
Energy: 1.0487132288975598
Energy: 1.0507048960241405
Energy: 1.0546767629173632
Energy: 1.0507048960241405
Energy: 1.0491326256174605
Energy: 1.0469819507256497
Energy: 1.0511685699639786
Energy: 1.0469819507256497
Energy: 1.0491326256174605
Energy: 1.0469819507256497
Energy: 1.0555291622540834
Energy: 1.051894159360629
Energy: 1.6544478227445656
Energy: 1.051894159360629
Energy: 1.0555291622529284
Energy: 1.051894159360629
Energy: 1.0514304438169233
Energy: 1.1517159973057975
Energy: 1.0685251576915147
Energy: 1.1517159973057975
Energy: 1.0514304438169233
Energy: 1.1517159973057975
Energy: 1.0927111405455552
Energy: 1.0474210125529106
Energy: 1.0484356197320426
Energy: 1.0474210125529106
Energy: 1.0927111405455552
Energy: 1.0474210125529106
Energy: 1.0484091406466032
Energy: 1.0508214735534214
Energy: 1.0510922171713646
Energy: 1.050821473554603
Energy: 1.0484091406466032
Energy: 1.0508214735534214

minimum gb energy = 1.046206553374824 eV
minimum distance =  2.25873388891408 Angstroms
sigma value = 17


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

Energy: 1.1688824536453835
Energy: 1.1687188909416846
Energy: 1.5454481978968593
Energy: 1.1687188909416846
Energy: 1.1688824536453835
Energy: 1.1687188909416846
Energy: 1.198240584236259
Energy: 1.170122493409975
Energy: 1.1702908073272333
Energy: 1.170122493409975
Energy: 1.198240584236259
Energy: 1.170122493409975
Energy: 1.1723276554164175
Energy: 1.1732654329753864
Energy: 1.1865997631108758
Energy: 1.1732654329753864
Energy: 1.1723276554164175
Energy: 1.1732654329753864
Energy: 1.1879080044816288
Energy: 1.1698449806690043
Energy: 1.1706452761635453
Energy: 1.1698449806690043
Energy: 1.1879080044816288
Energy: 1.1698449806690043
Energy: 1.1692840224396568
Energy: 1.1702447619345082
Energy: 1.1807856297296533
Energy: 1.1702447619345082
Energy: 1.1692840224396568
Energy: 1.1702447619345082
Energy: 1.172722494773021
Energy: 1.1694702236564727
Energy: 1.1699342855119752
Energy: 1.1694702236564727
Energy: 1.172722494773021
Energy: 1.1694702236564727
Energy: 1.1723365227646512
Energy: 1.3270973201852359
Energy: 1.1991776496844275
Energy: 1.3270973201852359
Energy: 1.1723365227646512
Energy: 1.3270973201852359
Energy: 1.1703409544259715
Energy: 1.4193729209870574
Energy: 1.1705816339403505
Energy: 1.4193729209870574
Energy: 1.1703409544243
Energy: 1.4193729209870574
Energy: 1.1692055223644269
Energy: 1.1693860930046074
Energy: 1.282126192687474
Energy: 1.1693860930046074
Energy: 1.1692055223644269
Energy: 1.1693860930046074
Energy: 1.169272315459158
Energy: 1.1505852170598228
Energy: 1.1701612863463733
Energy: 1.1505852170598228
Energy: 1.169272315459158
Energy: 1.1505852170598228
Energy: 1.1741887256367465
Energy: 1.5784479502998408
Energy: 1.1751094077188593
Energy: 1.5784479502998408
Energy: 1.1741887256367465
Energy: 1.5784479502998408
Energy: 1.1700991838593922
Energy: 1.1709108973342512
Energy: 1.173815591543808
Energy: 1.1709108973342512
Energy: 1.1700991838593922
Energy: 1.1709108973342512
Energy: 1.1691621611191338
Energy: 1.4199750966593214
Energy: 1.1720415769509478
Energy: 1.4199750966593214
Energy: 1.1691621611191338
Energy: 1.4199750966593214
Energy: 1.1723690962431528
Energy: 1.1699823982020272
Energy: 1.1697930947497912
Energy: 1.1699823982020272
Energy: 1.1723690962431528
Energy: 1.1699823982020272
Energy: 1.1721876845981443
Energy: 1.404895445624298
Energy: 1.1692066338928166
Energy: 1.404895445624298
Energy: 1.1721876845981443
Energy: 1.404895445624298
Energy: 1.173326192013652
Energy: 1.4056685695509072
Energy: 1.169142676133454
Energy: 1.4056685695492357
Energy: 1.173326192013652
Energy: 1.4056685695492357
Energy: 1.1749678148627853
Energy: 1.1704817953687447
Energy: 1.1723568596779232
Energy: 1.1704817953687447
Energy: 1.1749678148627853
Energy: 1.1704817953687447

minimum gb energy = 1.1505852170598228 eV
minimum distance =  2.23900381183342 Angstroms
sigma value = 17


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

Energy: 1.5719048622870742
Energy: 1.6267471218063387
Energy: 1.5265105701746633
Energy: 1.6267471218056933
Energy: 1.5719048622870742
Energy: 1.6267471218063387
Energy: 1.453630510844063
Energy: 1.2326612194735456
Energy: 1.2185686855218525
Energy: 1.2326612194735456
Energy: 1.453630510844063
Energy: 1.2326612194728999
Energy: 1.2203621025337041
Energy: 1.2540323874669599
Energy: 1.2271564985821768
Energy: 1.2540323874656691
Energy: 1.2203621025337041
Energy: 1.2540323874656691
Energy: 1.2504202617161404
Energy: 1.4610342250773287
Energy: 1.2547286877539698
Energy: 1.4610342250773287
Energy: 1.250420261715495
Energy: 1.4610342250773287
Energy: 1.2229335341849625
Energy: 1.2737401423219992
Energy: 1.466917881776195
Energy: 1.2737401423226444
Energy: 1.2229335341849625
Energy: 1.2737401423226444
Energy: 1.2675781461879956
Energy: 1.2250778812874816
Energy: 1.2785374638890736
Energy: 1.2250778812868361
Energy: 1.267578146188641
Energy: 1.2250778812881271
Energy: 1.21630918477985
Energy: 1.2706491232167327
Energy: 1.400438116093121
Energy: 1.2706491232173778
Energy: 1.21630918477985
Energy: 1.2706491232167327
Energy: 1.4668498230160607
Energy: 1.216655663990771
Energy: 1.2161693318679747
Energy: 1.2166556639914166
Energy: 1.4668498230154152
Energy: 1.2166556639914166
Energy: 1.2804722346554311
Energy: 1.2207100756040803
Energy: 1.2280793917967352
Energy: 1.2207100756027893
Energy: 1.2804722346547857
Energy: 1.2207100756040803
Energy: 1.4621709042207296
Energy: 1.2711852486917823
Energy: 1.2118096196070391
Energy: 1.2711852486924278
Energy: 1.462170904221375
Energy: 1.271276471880463
Energy: 1.2560393672227552
Energy: 1.544673685482328
Energy: 1.2518092536219947
Energy: 1.544673685481037
Energy: 1.2560393672227552
Energy: 1.5446736854816825
Energy: 1.2262547709276106
Energy: 1.4748039558218582
Energy: 1.224830659661267
Energy: 1.4748039558218582
Energy: 1.226254770926965
Energy: 1.4748039558218582
Energy: 1.2197507989381633
Energy: 1.2198600229176537
Energy: 1.492701923329831
Energy: 1.2198600229170082
Energy: 1.2197507989381633
Energy: 1.2198600229170082
Energy: 1.2343891198000925
Energy: 1.6203546035539174
Energy: 1.5807031992193947
Energy: 1.6203546035539174
Energy: 1.234389119799447
Energy: 1.6203546035532719
Energy: 1.2321389586268126
Energy: 1.2228581599784416
Energy: 1.251812919228228
Energy: 1.2228581599797328
Energy: 1.2321389586268126
Energy: 1.2228581599784416
Energy: 1.2553425653404686
Energy: 1.535631826345872
Energy: 1.2248905153054703
Energy: 1.5356318263452264
Energy: 1.255342565341114
Energy: 1.535631826345872
Energy: 1.2641650580235617
Energy: 1.2145531786874428
Energy: 1.2499504114217812
Energy: 1.2145531786874428
Energy: 1.2641650580229165
Energy: 1.2145531786861516
Energy: 1.5649898776831361
Energy: 1.4711942789846018
Energy: 1.2279770733417754
Energy: 1.471194278983956
Energy: 1.5649898776824906
Energy: 1.471194278983956
Energy: 1.491729907804565
Energy: 1.4392949214706727
Energy: 1.2206170722649181
Energy: 1.439294921470027
Energy: 1.4917299078052104
Energy: 1.439294921470027
Energy: 1.2247135543173264
Energy: 1.2590598775338406
Energy: 1.2248894723966819
Energy: 1.242125236093382
Energy: 1.224713554316681
Energy: 1.2590598775338406
Energy: 1.2205794689323073
Energy: 1.4394960921469075
Energy: 1.57227525338503
Energy: 1.4394960921469075
Energy: 1.2205794689323073
Energy: 1.4394960921469075
Energy: 1.2280258064151877
Energy: 1.47120638173809
Energy: 1.5650099045484298
Energy: 1.4712063817387353
Energy: 1.2280258064151877
Energy: 1.4712063817387353
Energy: 1.2233189287542166
Energy: 1.2145506840986555
Energy: 1.2641833570844825
Energy: 1.21455068409801
Energy: 1.2233189287548618
Energy: 1.2145506840986555
Energy: 1.2248924352659643
Energy: 1.5322798160106184
Energy: 1.2554224668300937
Energy: 1.5322798160119093
Energy: 1.2248924352659643
Energy: 1.5322798160125548
Energy: 1.2517760565099407
Energy: 1.222586433578323
Energy: 1.2321758756079428
Energy: 1.222586433577032
Energy: 1.2517760565105862
Energy: 1.222586433577032
Energy: 1.580497636828982
Energy: 1.6203152645675907
Energy: 1.2343318124648524
Energy: 1.6203152645675907
Energy: 1.580497636828982
Energy: 1.6203152645675907
Energy: 1.4939230147579197
Energy: 1.2202237365111344
Energy: 1.2198081409502528
Energy: 1.2202237365111344
Energy: 1.4939230147579197
Energy: 1.2202237365111344
Energy: 1.2248569966985399
Energy: 1.4745793621223637
Energy: 1.2261477079004344
Energy: 1.4745793621217183
Energy: 1.2248569966985399
Energy: 1.4745793621223637
Energy: 1.2516931767352995
Energy: 1.54469867002132
Energy: 1.2560556781178693
Energy: 1.54469867002132
Energy: 1.2516931767340085
Energy: 1.54469867002132
Energy: 1.2118609740343134
Energy: 1.2700611942910678
Energy: 1.4619796543185664
Energy: 1.2700611942910678
Energy: 1.211860974033668
Energy: 1.2700611942904223
Energy: 1.2282214596880816
Energy: 1.225708354145059
Energy: 1.2804726714117174
Energy: 1.225708354145059
Energy: 1.2282214596874361
Energy: 1.2257083541457046
Energy: 1.2162026973900186
Energy: 1.21659912626715
Energy: 1.4669009747235653
Energy: 1.21659912626715
Energy: 1.2162026973900186
Energy: 1.21659912626715
Energy: 1.4005226655026792
Energy: 1.2707634293341163
Energy: 1.2163546144970934
Energy: 1.2707634293341163
Energy: 1.4005226655026792
Energy: 1.2707634293341163
Energy: 1.2785451227643874
Energy: 1.2257337857381687
Energy: 1.2676674681812217
Energy: 1.2257337857388144
Energy: 1.2785451227643874
Energy: 1.2257337857388144
Energy: 1.454143775230053
Energy: 1.2737401423239356
Energy: 1.2229477347732238
Energy: 1.2737401423232901
Energy: 1.4541437752306987
Energy: 1.2737401423232901
Energy: 1.2547354316685768
Energy: 1.4610170423865136
Energy: 1.250301019083338
Energy: 1.4610170423865136
Energy: 1.2547354316679311
Energy: 1.4610170423871593
Energy: 1.2270395039546897
Energy: 1.253983916222818
Energy: 1.2203783214231547
Energy: 1.253983916222818
Energy: 1.2270395039553352
Energy: 1.253983916222818
Energy: 1.2186316597761138
Energy: 1.2327196038063082
Energy: 1.4535297023905378
Energy: 1.2327196038063082
Energy: 1.2186316597767592
Energy: 1.2327196038063082
Energy: 1.4672170231734227
Energy: 1.6267471218063387
Energy: 1.5719048622870742
Energy: 1.6267471218063387
Energy: 1.4672170231721315
Energy: 1.6267471218063387
Energy: 1.2185686855218525
Energy: 1.2326612194728999
Energy: 1.4536305108434175
Energy: 1.2326612194722546
Energy: 1.2185686855218525
Energy: 1.2326612194722546
Energy: 1.2271564985815318
Energy: 1.2540323874656691
Energy: 1.2203621025337041
Energy: 1.2540323874663146
Energy: 1.227156498580886
Energy: 1.2540323874663146
Energy: 1.2547286877539698
Energy: 1.4610342250766832
Energy: 1.250420261715495
Energy: 1.4610342250773287
Energy: 1.2547286877539698
Energy: 1.4610342250773287
Energy: 1.4669178817755495
Energy: 1.2737401423219992
Energy: 1.2229335341849625
Energy: 1.2737401423213537
Energy: 1.466917881776195
Energy: 1.2737401423213537

minimum gb energy = 1.2118096196070391 eV
minimum distance =  2.21764743333456 Angstroms
sigma value = 57


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

Energy: 1.3016478214739133
Energy: 1.5913604532546488
Energy: 1.5460884995385802
Energy: 1.5913604532557
Energy: 1.3016478214739133
Energy: 1.5913604532557
Energy: 1.3049818393157542
Energy: 1.2382125798027803
Energy: 1.238152124254141
Energy: 1.2382125797996275
Energy: 1.3049818393157542
Energy: 1.2382125797996275
Energy: 1.2247668386752895
Energy: 1.2922814080527463
Energy: 1.2405295170648443
Energy: 1.2922814080506442
Energy: 1.2247668386752895
Energy: 1.2922814080506442
Energy: 1.4113304945700553
Energy: 1.2730343311054952
Energy: 1.2734720494084286
Energy: 1.2730343311054952
Energy: 1.4113304945690042
Energy: 1.2730343311054952
Energy: 1.225546720104705
Energy: 1.2999550071965653
Energy: 1.3235038912572135
Energy: 1.2999550071965653
Energy: 1.225546720105756
Energy: 1.2999550071965653
Energy: 1.2950553331572046
Energy: 1.2730042559133135
Energy: 1.2731773812384584
Energy: 1.2730042559122623
Energy: 1.2950553331582557
Energy: 1.2730042559122623
Energy: 1.2254976603630932
Energy: 1.290471211587083
Energy: 1.2400278225138919
Energy: 1.2904712115881338
Energy: 1.2254976603630932
Energy: 1.2904712115891848
Energy: 1.5565583812964479
Energy: 1.2513275604191028
Energy: 1.2381223546338262
Energy: 1.2513275604180518
Energy: 1.5565583812964479
Energy: 1.2513275604180518
Energy: 1.303327814247116
Energy: 1.5879840890724402
Energy: 1.2415043635307117
Energy: 1.5879840890755932
Energy: 1.303327814247116
Energy: 1.5879840890755932
Energy: 1.2871363536346077
Energy: 1.238287762915666
Energy: 1.2382835045826406
Energy: 1.238287762915666
Energy: 1.2871363536346077
Energy: 1.238287762915666
Energy: 1.2257023790224375
Energy: 1.4179091809290771
Energy: 1.2734773284058545
Energy: 1.4179091809290771
Energy: 1.2257023790224375
Energy: 1.4179091809290771
Energy: 1.3029562757708952
Energy: 1.2739258900036632
Energy: 1.2747752895110986
Energy: 1.2739258900015609
Energy: 1.3029562757708952
Energy: 1.2739258900015609
Energy: 1.2286272518213406
Energy: 1.460441243791295
Energy: 1.2738166836480513
Energy: 1.4604412437891932
Energy: 1.2286272518213406
Energy: 1.4604412437891932
Energy: 1.3065931639651038
Energy: 1.4555601730003356
Energy: 1.274803949810535
Energy: 1.4555601730003356
Energy: 1.306593163966155
Energy: 1.4555601730003356
Energy: 1.2297451290864758
Energy: 1.290884911877848
Energy: 1.2478527718937984
Energy: 1.2908849118788992
Energy: 1.2297451290864758
Energy: 1.2908849118788992
Energy: 1.5477333559335777
Energy: 1.4519944342398323
Energy: 1.2383381889561673
Energy: 1.4519944342408833
Energy: 1.5477333559325268
Energy: 1.4519944342408833
Energy: 1.3101301447078546
Energy: 1.588708796353243
Energy: 1.2431318413355144
Energy: 1.588708796354294
Energy: 1.3101301447089058
Energy: 1.588708796354294
Energy: 1.3066928634806039
Energy: 1.2929213681429592
Energy: 1.240693464513583
Energy: 1.2929213681419078
Energy: 1.3066928634806039
Energy: 1.2929213681419078
Energy: 1.2301954712921788
Energy: 1.4174893107417945
Energy: 1.2737898972678507
Energy: 1.4174893107407434
Energy: 1.2301954712921788
Energy: 1.4174893107407434
Energy: 1.3002432934926376
Energy: 1.4863878625498321
Energy: 1.2825174445441436
Energy: 1.486387862546679
Energy: 1.3002432934926376
Energy: 1.486387862546679
Energy: 1.2345062488215
Energy: 1.2914521483327572
Energy: 1.2828487648211773
Energy: 1.2914521483327572
Energy: 1.2345062488215
Energy: 1.2914521483327572
Energy: 1.2332365526201796
Energy: 1.4183643831421107
Energy: 1.282690451001986
Energy: 1.4183643831410593
Energy: 1.2332365526201796
Energy: 1.4183643831410593
Energy: 1.2374465915444826
Energy: 1.2922026060305905
Energy: 1.2432858438766001
Energy: 1.2922026060326923
Energy: 1.2374465915444826
Energy: 1.2922026060326923
Energy: 1.3149983393266407
Energy: 1.4772667960846622
Energy: 1.2405799441379872
Energy: 1.4772667960846622
Energy: 1.3149983393266407
Energy: 1.4772667960846622
Energy: 1.3020707837057106
Energy: 1.4763710148316738
Energy: 1.2389757604505272
Energy: 1.4763710148327245
Energy: 1.3020707837046597
Energy: 1.4763710148327245
Energy: 1.233179711713665
Energy: 1.291595478627666
Energy: 1.2467955276593234
Energy: 1.291595478628717
Energy: 1.233179711713665
Energy: 1.291595478628717
Energy: 1.2372848051512668
Energy: 1.4220767334496673
Energy: 1.2780330829185285
Energy: 1.4220767334528206
Energy: 1.2372848051512668
Energy: 1.4220767334517697

minimum gb energy = 1.2247668386752895 eV
minimum distance =  2.17788316361287 Angstroms
sigma value = 43


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

Energy: 1.3548015925719126
Energy: 1.5575436683420203
Energy: 1.7351433056470187
Energy: 1.5575436683420203
Energy: 1.3548015925719126
Energy: 1.5575436683420203
Energy: 1.318662948603268
Energy: 1.2685446952212125
Energy: 1.2447070577434003
Energy: 1.2685446952212125
Energy: 1.318662948603268
Energy: 1.2685446952212125
Energy: 1.2437807648944745
Energy: 1.3301482879000597
Energy: 1.2438487893013892
Energy: 1.3301482879000597
Energy: 1.2437807648944745
Energy: 1.3301482879000597
Energy: 1.3005925548134705
Energy: 1.5387573861085142
Energy: 1.3103026930794488
Energy: 1.5387573861085142
Energy: 1.300592554814236
Energy: 1.5387573861077484
Energy: 1.2567884596808265
Energy: 1.330797305182464
Energy: 1.3419515762390426
Energy: 1.3307973051832294
Energy: 1.2567884596808265
Energy: 1.3307973051832294
Energy: 1.3032946426562413
Energy: 1.301717736244636
Energy: 1.2568403979410157
Energy: 1.301717736244636
Energy: 1.3032946426570071
Energy: 1.30171773624387
Energy: 1.2582449098681774
Energy: 1.3019071983542714
Energy: 1.2695312966992855
Energy: 1.3019071983542714
Energy: 1.258244909868943
Energy: 1.3019071983542714
Energy: 1.3620039499560792
Energy: 1.330319884705279
Energy: 1.2563226736979303
Energy: 1.330319884705279
Energy: 1.3620039499560792
Energy: 1.330319884705279
Energy: 1.3112411618657085
Energy: 1.539024549286141
Energy: 1.3286717017471996
Energy: 1.539024549286141
Energy: 1.3112411618657085
Energy: 1.539024549286141
Energy: 1.4486883828827604
Energy: 1.328528175228893
Energy: 1.2471757892436628
Energy: 1.3285281752296587
Energy: 1.4486883828827604
Energy: 1.3285281752296587
Energy: 1.2462639363594834
Energy: 1.2817760394832531
Energy: 1.63195311069462
Energy: 1.281776039484019
Energy: 1.2462639363594834
Energy: 1.281776039484019
Energy: 1.2700191004398818
Energy: 1.5582875864390868
Energy: 1.3589184411432194
Energy: 1.5582875864390868
Energy: 1.2700191004398818
Energy: 1.5582875864390868
Energy: 1.2502572890591817
Energy: 1.2696636845078901
Energy: 1.3287416251860094
Energy: 1.269663684508656
Energy: 1.2502572890591817
Energy: 1.269663684508656
Energy: 1.3109937025724265
Energy: 1.3999321214436296
Energy: 1.2472612959741032
Energy: 1.3999321214436296
Energy: 1.3109937025724265
Energy: 1.3999321214428637
Energy: 1.3156523955683095
Energy: 1.5399834325996442
Energy: 1.2712996480521193
Energy: 1.5399834325996442
Energy: 1.3156523955683095
Energy: 1.5399834325996442
Energy: 1.3031069923918788
Energy: 1.3381559691076488
Energy: 1.2636386903386478
Energy: 1.3381559691076488
Energy: 1.3031069923918788
Energy: 1.3381559691076488
Energy: 1.2639851860398457
Energy: 1.4150477688071321
Energy: 1.3025316031072616
Energy: 1.4150477688071321
Energy: 1.2639851860406113
Energy: 1.4150477688071321
Energy: 1.2804622358415574
Energy: 1.3032968868694186
Energy: 1.2561846447801548
Energy: 1.303296886870184
Energy: 1.2804622358423232
Energy: 1.303296886870184
Energy: 1.2794782544075098
Energy: 1.4070305247452635
Energy: 1.310987265949406
Energy: 1.4070305247444979
Energy: 1.2794782544075098
Energy: 1.4070305247444979
Energy: 1.2455239052947702
Energy: 1.6218487505400623
Energy: 1.3191322843196853
Energy: 1.6218487505400623
Energy: 1.2455239052947702
Energy: 1.6218487505392962
Energy: 1.2441240603478336
Energy: 1.3288241657613786
Energy: 1.269245890913608
Energy: 1.3288241657613786
Energy: 1.2441240603478336
Energy: 1.3288241657613786
Energy: 1.6327332482174521
Energy: 1.4038843082462924
Energy: 1.2467491286579284
Energy: 1.4038843082455266
Energy: 1.6327332482174521
Energy: 1.4038843082462924
Energy: 1.5096593088722994
Energy: 1.2457248941393249
Energy: 1.2693908264802523
Energy: 1.2457248941408563
Energy: 1.5096593088722994
Energy: 1.2457248941400907
Energy: 1.245611991264118
Energy: 1.4051920528177153
Energy: 1.2687580563330165
Energy: 1.4051920528177153
Energy: 1.245611991264118
Energy: 1.4051920528169493
Energy: 1.2445917571071488
Energy: 1.2569595419052928
Energy: 1.310697143505121
Energy: 1.2569595419052928
Energy: 1.244591757106383
Energy: 1.2569595419052928
Energy: 1.2836587365118193
Energy: 1.3998801602505733
Energy: 1.3104378971263173
Energy: 1.3998801602498077
Energy: 1.2836587365118193
Energy: 1.3998801602490418
Energy: 1.2525956259719215
Energy: 1.399396511997417
Energy: 1.3017879033411264
Energy: 1.399396511997417
Energy: 1.2525956259711561
Energy: 1.399396511997417
Energy: 1.3018995530152093
Energy: 1.6421131873825912
Energy: 1.302080996470223
Energy: 1.6421131873825912
Energy: 1.3018995530152093
Energy: 1.6421131873825912
Energy: 1.3017498850446192
Energy: 1.39936514151735
Energy: 1.2801913578999757
Energy: 1.3993651415165842
Energy: 1.3017498850453846
Energy: 1.3993651415165842
Energy: 1.3105430569529004
Energy: 1.4000629763823063
Energy: 1.2836778646947684
Energy: 1.4000629763823063
Energy: 1.3105430569529004
Energy: 1.4000629763823063
Energy: 1.3106626975338243
Energy: 1.256929847739645
Energy: 1.2445190011987282
Energy: 1.256929847740411
Energy: 1.3106626975338243
Energy: 1.256929847738879
Energy: 1.2688179179534855
Energy: 1.4041859992095254
Energy: 1.2452925599453162
Energy: 1.4041859992095254
Energy: 1.26881791795272
Energy: 1.4041859992095254
Energy: 1.2694466408950336
Energy: 1.2457189571395046
Energy: 1.6862221303652098
Energy: 1.2457189571402705
Energy: 1.2694466408950336
Energy: 1.2457189571410363
Energy: 1.2469811370614983
Energy: 1.4037075539838326
Energy: 1.6328299611409807
Energy: 1.4037075539830666
Energy: 1.2469811370614983
Energy: 1.4037075539830666
Energy: 1.269281703443642
Energy: 1.3288790085244941
Energy: 1.2442329491605237
Energy: 1.328879008523728
Energy: 1.269281703444408
Energy: 1.328879008523728
Energy: 1.3190434212389879
Energy: 1.6218402487132884
Energy: 1.2454129402510004
Energy: 1.6218402487132884
Energy: 1.3190434212389879
Energy: 1.6218402487140542

minimum gb energy = 1.2437807648944745 eV
minimum distance =  2.17503053165312 Angstroms
sigma value = 81


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

Energy: 1.226571241536083
Energy: 1.2274203798306564
Energy: 1.6183197757564105
Energy: 1.2274203798306564
Energy: 1.226571241536083
Energy: 1.2274203798306564
Energy: 1.2272161824669818
Energy: 1.227055417151319
Energy: 1.2265232363794936
Energy: 1.2270554171516068
Energy: 1.2272161824675571
Energy: 1.2270554171516068
Energy: 1.2265221639411708
Energy: 1.227018303970828
Energy: 1.2272096058091613
Energy: 1.227018303970828
Energy: 1.2265221639411708
Energy: 1.227018303970828
Energy: 1.4152044145319747
Energy: 1.2274203798303684
Energy: 1.2265712415363708
Energy: 1.2274203798303684
Energy: 1.4152044145302802
Energy: 1.2274203798303684
Energy: 1.2265232363794936
Energy: 1.2270554171518944
Energy: 1.2272161824700831
Energy: 1.227055417151319
Energy: 1.2265232363797813
Energy: 1.227055417151319
Energy: 1.2272096058091613
Energy: 1.227018303970828
Energy: 1.2265221639411708
Energy: 1.227018303970828
Energy: 1.2272096058097048
Energy: 1.2270183039705402
Energy: 1.226571241536083
Energy: 1.2274203798306564
Energy: 1.4152044145392964
Energy: 1.227420379830912
Energy: 1.226571241536083
Energy: 1.2274203798306564
Energy: 1.2272161824740158
Energy: 1.2270554171516068
Energy: 1.2265232363797813
Energy: 1.2270554171518944
Energy: 1.2272161824737278
Energy: 1.2270554171516068
Energy: 1.2265221639414585
Energy: 1.2270183039711156
Energy: 1.2272096058099926
Energy: 1.227018303970828
Energy: 1.2265221639411708
Energy: 1.227018303970828
Energy: 1.415204414551094
Energy: 1.2274203798303684
Energy: 1.2265712415363708
Energy: 1.2274203798303684
Energy: 1.4152044145536198
Energy: 1.2274203798303684

minimum gb energy = 1.2265221639411708 eV
minimum distance =  2.23225237922638 Angstroms
sigma value = 3


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

Energy: 1.6570989236647797
Energy: 1.4998718616033577
Energy: 1.675309039533244
Energy: 1.4998718616033577
Energy: 1.6570989236647797
Energy: 1.4998718616033577
Energy: 1.251998564078707
Energy: 1.3416160027203585
Energy: 1.2274586385072477
Energy: 1.3416160027161488
Energy: 1.251998564078707
Energy: 1.3416160027161488
Energy: 1.240006513297037
Energy: 1.2410941645514904
Energy: 1.310190910982993
Energy: 1.2410941645514904
Energy: 1.240006513297037
Energy: 1.2410941645514904
Energy: 1.5459858976076524
Energy: 1.4837641955401413
Energy: 1.361505618886275
Energy: 1.483764195540983
Energy: 1.5459858976076524
Energy: 1.483764195540983
Energy: 1.3300608355251455
Energy: 1.3329038272965053
Energy: 1.3833683857588872
Energy: 1.3329038272956635
Energy: 1.3300608355251455
Energy: 1.3329038272956635
Energy: 1.3944956830040085
Energy: 1.285682147574381
Energy: 1.212299010911452
Energy: 1.2856821475752227
Energy: 1.3944956830040085
Energy: 1.2856821475752227
Energy: 1.3303234727276128
Energy: 1.3327055587085592
Energy: 1.3329206273604235
Energy: 1.3327055587077175
Energy: 1.3303234727276128
Energy: 1.3327055587077175
Energy: 1.328123468391601
Energy: 1.611823271982847
Energy: 1.3604539617547102
Energy: 1.6118232719820047
Energy: 1.328123468392443
Energy: 1.6118232719820047
Energy: 1.242629496635236
Energy: 1.2398652682738989
Energy: 1.4631602473020315
Energy: 1.2398652682730567
Energy: 1.242629496635236
Energy: 1.2398652682730567
Energy: 1.2437017663596721
Energy: 1.3429393900092625
Energy: 1.2287045815034152
Energy: 1.3429393900101045
Energy: 1.2437017663596721
Energy: 1.3429393900101045
Energy: 1.5426247197526568
Energy: 1.3327904582686105
Energy: 1.340659618901334
Energy: 1.3327904582694141
Energy: 1.5426247197518146
Energy: 1.3327904582694141
Energy: 1.5428016505542606
Energy: 1.401199143750093
Energy: 1.234754153075245
Energy: 1.401199143750093
Energy: 1.5428016505551025
Energy: 1.401199143750093
Energy: 1.2435463231812138
Energy: 1.2927257029621753
Energy: 1.2267970519059233
Energy: 1.2927257029621753
Energy: 1.2435463231812138
Energy: 1.2927257029630173
Energy: 1.2430144860630787
Energy: 1.5653314984597715
Energy: 1.3615253975783295
Energy: 1.5653314984606135
Energy: 1.243014486062237
Energy: 1.5653314984606135
Energy: 1.3291254897431937
Energy: 1.4248456489062755
Energy: 1.360634970275845
Energy: 1.4248456489071175
Energy: 1.3291254897431937
Energy: 1.4248456489071175
Energy: 1.327707200630661
Energy: 1.2703514670438687
Energy: 1.2110824520730954
Energy: 1.2703514670438687
Energy: 1.327707200631503
Energy: 1.2703514670438687
Energy: 1.3285758269101942
Energy: 1.277391801165077
Energy: 1.2112710783310654
Energy: 1.277391801165077
Energy: 1.3285758269110362
Energy: 1.2773918011659189
Energy: 1.3275164572896228
Energy: 1.3567347874665014
Energy: 1.361083548753863
Energy: 1.3567347874681852
Energy: 1.3275164572896228
Energy: 1.3567347874681852
Energy: 1.2409524565501104
Energy: 1.4200740839632109
Energy: 1.362484437229593
Energy: 1.4200740839615271
Energy: 1.2409524565501104
Energy: 1.4200740839615271
Energy: 1.244705806655705
Energy: 1.3464661779348028
Energy: 1.2274970100045448
Energy: 1.3464661779348028
Energy: 1.244705806655705
Energy: 1.3464661779348028
Energy: 1.5479300714703006
Energy: 1.3406984210521804
Energy: 1.2266003287658993
Energy: 1.3406984210513384
Energy: 1.5479300714703006
Energy: 1.3406984210513384
Energy: 1.6548977294485956
Energy: 1.4283259425227588
Energy: 1.3406432859684547
Energy: 1.428325942523601
Energy: 1.6548977294485956
Energy: 1.428325942523601
Energy: 1.2413843778178386
Energy: 1.2665845565620482
Energy: 1.2333822390761506
Energy: 1.2665845565612062
Energy: 1.2413843778169964
Energy: 1.2665845565612062
Energy: 1.242992093954075
Energy: 1.2395997555865592
Energy: 1.521093641646774
Energy: 1.239599755585717
Energy: 1.2429920939549175
Energy: 1.239599755585717
Energy: 1.3278477045610202
Energy: 1.3623027707802788
Energy: 1.3604896333725611
Energy: 1.3623027707802788
Energy: 1.3278477045601784
Energy: 1.3623027707802788
Energy: 1.3277837833493962
Energy: 1.4570355243956563
Energy: 1.2883994773109024
Energy: 1.4570355243956563
Energy: 1.3277837833493962
Energy: 1.4570355243956563
Energy: 1.3278767606391102
Energy: 1.277361697063634
Energy: 1.2106165303951253
Energy: 1.2773616970644759
Energy: 1.3278767606382684
Energy: 1.277361697063634
Energy: 1.3276876684505512
Energy: 1.258950427364024
Energy: 1.5215765376471755
Energy: 1.258950427364024
Energy: 1.3276876684505512
Energy: 1.2589504273648657
Energy: 1.3641160211876002
Energy: 1.4785580272608145
Energy: 1.3599589331573265
Energy: 1.4785580272599725
Energy: 1.3641160211867582
Energy: 1.4785580272591305
Energy: 1.24166902883526
Energy: 1.239729384587685
Energy: 1.4508469613030173
Energy: 1.2397293845885269
Energy: 1.24166902883526
Energy: 1.239729384587685
Energy: 1.4202525602020586
Energy: 1.3531409853812821
Energy: 1.2281164370526882
Energy: 1.3531409853812821
Energy: 1.4202525602020586
Energy: 1.3531409853812821
Energy: 1.5517223233739401
Energy: 1.5541015201074961
Energy: 1.2655906618326007
Energy: 1.5541015201074961
Energy: 1.5517223233739401
Energy: 1.5541015201074961
Energy: 1.3113526179187198
Energy: 1.3558967846856065
Energy: 1.2264026081762545
Energy: 1.3558967846856065
Energy: 1.3113526179204036
Energy: 1.3558967846847647

minimum gb energy = 1.2106165303951253 eV
minimum distance =  2.15384486870336 Angstroms
sigma value = 67


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

Energy: 1.2667720598153633
Energy: 1.6065350061622625
Energy: 1.6211267915449634
Energy: 1.6065350061622625
Energy: 1.2667720598153633
Energy: 1.6065350061634622
Energy: 1.5648304742224155
Energy: 1.2170459024727056
Energy: 1.2048690135467304
Energy: 1.2170459024727056
Energy: 1.5648304742224155
Energy: 1.2170459024727056
Energy: 1.216796916872797
Energy: 1.3057671098673411
Energy: 1.388049003035798
Energy: 1.3057671098661416
Energy: 1.216796916872797
Energy: 1.3057671098661416
Energy: 1.525654387644634
Energy: 1.64703387199134
Energy: 1.2091988698658502
Energy: 1.64703387199134
Energy: 1.525654387644634
Energy: 1.64703387199134
Energy: 1.204425678459263
Energy: 1.6463416856211843
Energy: 1.5810026479864316
Energy: 1.6463416856211843
Energy: 1.204425678459263
Energy: 1.6463416856211843
Energy: 1.206251020497111
Energy: 1.5083605002972624
Energy: 1.205252755268399
Energy: 1.5083605002984621
Energy: 1.2062510204959112
Energy: 1.5083605002984621
Energy: 1.201461236757344
Energy: 1.2171352385035874
Energy: 1.2216065652214105
Energy: 1.2171352385035874
Energy: 1.201461236757344
Energy: 1.2171352385035874
Energy: 1.2140620592583582
Energy: 1.4613881683752927
Energy: 1.5658170939542575
Energy: 1.4613881683752927
Energy: 1.2140620592583582
Energy: 1.4613881683752927
Energy: 1.2154304404194858
Energy: 1.3869077900301012
Energy: 1.5701053114066696
Energy: 1.3869077900289017
Energy: 1.2154304404194858
Energy: 1.3869077900289017
Energy: 1.2191444092532802
Energy: 1.2148840413797222
Energy: 1.2221123344720133
Energy: 1.2148840413797222
Energy: 1.2191444092532802
Energy: 1.2148840413797222
Energy: 1.208138772467619
Energy: 1.4813031798068117
Energy: 1.2205124290585025
Energy: 1.4813031798068117
Energy: 1.208138772467619
Energy: 1.4813031798068117
Energy: 1.2119129268264195
Energy: 1.2722306713019433
Energy: 1.2119227126616308
Energy: 1.2722306713019433
Energy: 1.2119129268264195
Energy: 1.2722306713019433
Energy: 1.2205045039534503
Energy: 1.4813961476335546
Energy: 1.208173078800962
Energy: 1.4813961476335546
Energy: 1.2205045039534503
Energy: 1.4813961476335546
Energy: 1.2221257818185534
Energy: 1.2149590477760848
Energy: 1.219653371935442
Energy: 1.2149590477772845
Energy: 1.2221257818185534
Energy: 1.2149590477772845
Energy: 1.5640957932125568
Energy: 1.3867086639693103
Energy: 1.215433841262191
Energy: 1.3867086639693103
Energy: 1.5640957932125568
Energy: 1.3867086639681108
Energy: 1.5658203074815664
Energy: 1.4608453392997387
Energy: 1.2141519284923221
Energy: 1.4608453393009382
Energy: 1.5658203074815664
Energy: 1.4608453393009382
Energy: 1.2215634066856569
Energy: 1.217158013869308
Energy: 1.2145309714218195
Energy: 1.217158013869308
Energy: 1.2215634066856569
Energy: 1.217158013869308
Energy: 1.2052264945855446
Energy: 1.5083777789086612
Energy: 1.2061300817617988
Energy: 1.5083777789086612
Energy: 1.2052264945855446
Energy: 1.5083777789086612
Energy: 1.580815165814471
Energy: 1.6462515838583076
Energy: 1.2044481306243546
Energy: 1.6462515838583076
Energy: 1.580815165814471
Energy: 1.6462515838583076
Energy: 1.2091563286875042
Energy: 1.646720606514613
Energy: 1.5253822104194654
Energy: 1.6467206065134135
Energy: 1.2091563286875042
Energy: 1.6467206065134135
Energy: 1.3881511468207712
Energy: 1.3057671098661416
Energy: 1.213931348244435
Energy: 1.3057671098661416
Energy: 1.3881511468207712
Energy: 1.3057671098661416
Energy: 1.2048796085779565
Energy: 1.2169462180610073
Energy: 1.565181483067369
Energy: 1.2169462180610073
Energy: 1.2048796085779565
Energy: 1.2169462180610073
Energy: 1.4147048028366846
Energy: 1.6065350061622625
Energy: 1.2667720598153633
Energy: 1.6065350061622625
Energy: 1.4147048028366846
Energy: 1.6065350061622625

minimum gb energy = 1.201461236757344 eV
minimum distance =  2.1640147531614 Angstroms
sigma value = 33


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

Energy: 1.4305156118517115
Energy: 1.6658768338692547
Energy: 1.5780829253172806
Energy: 1.6658768338684937
Energy: 1.4305156118517115
Energy: 1.6658768338684937
Energy: 1.582735113623724
Energy: 1.4180936071604708
Energy: 1.168137930483096
Energy: 1.4180936071604708
Energy: 1.582735113623724
Energy: 1.4180936071604708
Energy: 1.1673513627855576
Energy: 1.2380793517685147
Energy: 1.5087225105679447
Energy: 1.2380793517677535
Energy: 1.1673513627855576
Energy: 1.2380793517677535
Energy: 1.2247445435558306
Energy: 1.3463079301260539
Energy: 1.191566761172417
Energy: 1.3463079301252927
Energy: 1.2247445435558306
Energy: 1.3463079301252927
Energy: 1.3722933748452162
Energy: 1.4677679066443603
Energy: 1.3518216169689503
Energy: 1.4677679066458824
Energy: 1.3722933748459771
Energy: 1.467767906639794
Energy: 1.3704035069509948
Energy: 1.2499880166247106
Energy: 1.1667904152526585
Energy: 1.2499880166254718
Energy: 1.3704035069509948
Energy: 1.3176690463357932
Energy: 1.1668404781982369
Energy: 1.1829054815518167
Energy: 1.1753395758991323
Energy: 1.1829054815518167
Energy: 1.1668404781982369
Energy: 1.1829054815518167
Energy: 1.178918129490642
Energy: 1.4768939381433819
Energy: 1.3701290562482702
Energy: 1.4768939381433819
Energy: 1.1789181294914028
Energy: 1.4768939381433819
Energy: 1.3533390115186767
Energy: 1.3542164782192923
Energy: 1.3714670421028852
Energy: 1.3542164782192923
Energy: 1.3533390115186767
Energy: 1.3542164782192923
Energy: 1.184077211649715
Energy: 1.1788637401399782
Energy: 1.1692422780515659
Energy: 1.3914635203630001
Energy: 1.1840772116504759
Energy: 1.1788637401399782
Energy: 1.162100343293503
Energy: 1.3398969649519585
Energy: 1.1811272444554488
Energy: 1.3398969649527197
Energy: 1.162100343293503
Energy: 1.3398969649527197
Energy: 1.162345465214772
Energy: 1.2428716391676886
Energy: 1.6134896933074858
Energy: 1.2428716391676886
Energy: 1.162345465214772
Energy: 1.2428716391676886
Energy: 1.3653233867377221
Energy: 1.4804601959168668
Energy: 1.4218844574268414
Energy: 1.4804601959168668
Energy: 1.3653233867377221
Energy: 1.4804601959168668
Energy: 1.1681616588809909
Energy: 1.4190140736931054
Energy: 1.1660249866555463
Energy: 1.4190140736923442
Energy: 1.1681616588809909
Energy: 1.4190140736923442
Energy: 1.3518857343946526
Energy: 1.2346302400799494
Energy: 1.1653878269126114
Energy: 1.2346302400791882
Energy: 1.3518857343946526
Energy: 1.2346302400791882
Energy: 1.1914650537932303
Energy: 1.388356486629767
Energy: 1.5811873032276416
Energy: 1.388356486629767
Energy: 1.1914650537932303
Energy: 1.3883564866290061
Energy: 1.5781651296717236
Energy: 1.6740870747582555
Energy: 1.3926217027338121
Energy: 1.6740870747590166
Energy: 1.5781651296717236
Energy: 1.6740870747582555
Energy: 1.1645000468452458
Energy: 1.1839037750009034
Energy: 1.4973005696398582
Energy: 1.1839037750009034
Energy: 1.1645000468452458
Energy: 1.1839037750009034
Energy: 1.3872678244650805
Energy: 1.1869550836457545
Energy: 1.1653883510321412
Energy: 1.1869550836464813
Energy: 1.3872678244650805
Energy: 1.1869550836464813
Energy: 1.3726909970486523
Energy: 1.6742269638668783
Energy: 1.1761054386028071
Energy: 1.6742269638661171
Energy: 1.372690997047891
Energy: 1.6742269638661171
Energy: 1.6056354886426194
Energy: 1.5263209251146213
Energy: 1.1864357193854493
Energy: 1.5263209251146213
Energy: 1.6056354886426194
Energy: 1.5263209251146213
Energy: 1.1645903697582498
Energy: 1.3893323481088653
Energy: 1.3516647929259635
Energy: 1.3893323481088653
Energy: 1.1645903697582498
Energy: 1.3893323481088653
Energy: 1.1816005481449707
Energy: 1.1759045769681453
Energy: 1.1663464173644198
Energy: 1.1759045769681453
Energy: 1.1816005481449707
Energy: 1.1759045769673844
Energy: 1.4204232754321766
Energy: 1.3445085238750525
Energy: 1.1644336297859403
Energy: 1.3445085238750525
Energy: 1.4204232754321766
Energy: 1.3445085238750525
Energy: 1.610571421099277
Energy: 1.2410332825319728
Energy: 1.1623679757191434
Energy: 1.2410332825327335
Energy: 1.610571421099277
Energy: 1.2410332825327335
Energy: 1.181867849352783
Energy: 1.4647286086901596
Energy: 1.1626628461407442
Energy: 1.4647286086901596
Energy: 1.181867849352783
Energy: 1.4647286086901596
Energy: 1.1665740338469797
Energy: 1.3891359156686003
Energy: 1.353392535738337
Energy: 1.3891359156686003
Energy: 1.1665740338469797
Energy: 1.3891359156686003
Energy: 1.3703450365979912
Energy: 1.3411216101256211
Energy: 1.1838364170015654
Energy: 1.3411216101256211
Energy: 1.3703450365979912
Energy: 1.3411216101256211
Energy: 1.3723539007093686
Energy: 1.4695947790485513
Energy: 1.17598189546506
Energy: 1.469594779049312
Energy: 1.3723539007101297
Energy: 1.469594779049312
Energy: 1.177659253024487
Energy: 1.1840573323580057
Energy: 1.16456771132967
Energy: 1.1840573323580057
Energy: 1.177659253024487
Energy: 1.1840573323580057
Energy: 1.166883699288635
Energy: 1.3184960999097877
Energy: 1.6051402736562066
Energy: 1.3184960999097877
Energy: 1.166883699288635
Energy: 1.3184960999097877
Energy: 1.3521415759737123
Energy: 1.674011962223103
Energy: 1.3726503930024716
Energy: 1.674011962223103
Energy: 1.3521415759729514
Energy: 1.674011962223103
Energy: 1.1910827934254289
Energy: 1.3905915041488033
Energy: 1.391872427031761
Energy: 1.3905915041495645
Energy: 1.1910827934254289
Energy: 1.3905915041495645
Energy: 1.528886442152598
Energy: 1.2359057446699566
Energy: 1.1651474274925318
Energy: 1.235905744670718
Energy: 1.528886442152598
Energy: 1.2359057446699566
Energy: 1.1716209503089896
Energy: 1.4193896480446044
Energy: 1.4781946725470523
Energy: 1.4193896480453656
Energy: 1.1716209503089896
Energy: 1.4193896480453656
Energy: 1.367008060135839
Energy: 1.6665185279032877
Energy: 1.4277329177700726
Energy: 1.6665185279032877
Energy: 1.3670080601366
Energy: 1.6665185279032877
Energy: 1.166073803553888
Energy: 1.545067654090994
Energy: 1.6068496965663226
Energy: 1.545067654090994
Energy: 1.166073803553888
Energy: 1.545067654090994

minimum gb energy = 1.162100343293503 eV
minimum distance =  2.15123269435469 Angstroms
sigma value = 41


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

Energy: 1.070271248019905
Energy: 1.7043308179170855
Energy: 1.4946344024016371
Energy: 1.7043308179191634
Energy: 1.070271248019905
Energy: 1.7043308179191634
Energy: 1.552983865995208
Energy: 1.009388463357469
Energy: 1.0091317184663697
Energy: 1.009388463357469
Energy: 1.552983865995208
Energy: 1.009388463357469
Energy: 1.070610611820054
Energy: 1.1953681498658881
Energy: 1.0099299025067126
Energy: 1.19536814986381
Energy: 1.070610611820054
Energy: 1.1953681498658881
Energy: 1.5392097497477812
Energy: 1.0096645488136669
Energy: 1.0091534585817965
Energy: 1.0096645488136669
Energy: 1.5392097497477812
Energy: 1.0096645488136669
Energy: 1.0706633133739953
Energy: 1.3966294864773066
Energy: 1.0099423537666787
Energy: 1.3966294864773066
Energy: 1.0706633133739953
Energy: 1.3966294864773066
Energy: 1.0689927890861397
Energy: 1.0725744777959247
Energy: 1.009869075956533
Energy: 1.0725744777959247
Energy: 1.0689927890861397
Energy: 1.0725744777959247
Energy: 1.5427736447538167
Energy: 1.009915752995772
Energy: 1.0103654912834625
Energy: 1.009915752995772
Energy: 1.5427736447538167
Energy: 1.009915752995772
Energy: 1.0686046839470167
Energy: 1.0102116872029183
Energy: 1.0093465882187793
Energy: 1.0102116872008404
Energy: 1.0686046839470167
Energy: 1.0102116872008404
Energy: 1.4858151845395238
Energy: 1.0745772968558747
Energy: 1.0102980519488427
Energy: 1.0745772968558747
Energy: 1.4858151845395238
Energy: 1.0745772968579528
Energy: 1.0681307210992803
Energy: 1.3924910640632748
Energy: 1.0098052273444398
Energy: 1.392491064061197
Energy: 1.0681307210992803
Energy: 1.392491064061197
Energy: 1.4933606593878823
Energy: 1.010385570060823
Energy: 1.0100167363696129
Energy: 1.010385570060823
Energy: 1.4933606593878823
Energy: 1.010385570060823
Energy: 1.0680845499778109
Energy: 1.1952555806705483
Energy: 1.536976333370155
Energy: 1.1952555806705483
Energy: 1.0680845499778109
Energy: 1.1952555806705483
Energy: 1.493392355428791
Energy: 1.01039424727794
Energy: 1.0100084137215848
Energy: 1.01039424727794
Energy: 1.493392355428791
Energy: 1.010394247280018
Energy: 1.068336388793071
Energy: 1.392036740193128
Energy: 1.0097620784863501
Energy: 1.39203674019105
Energy: 1.068336388793071
Energy: 1.39203674019105

minimum gb energy = 1.0091317184663697 eV
minimum distance =  2.20388142245947 Angstroms
sigma value = 11


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

Energy: 1.490405251544947
Energy: 1.7689990722944602
Energy: 1.6468981528829068
Energy: 1.7689990722944602
Energy: 1.4904052515458601
Energy: 1.7689990722944602
Energy: 1.3868019830647629
Energy: 1.5273110321990107
Energy: 1.1973622762809277
Energy: 1.5273110321990107
Energy: 1.3868019830647629
Energy: 1.5273110321990107
Energy: 1.199495781538792
Energy: 1.4008447204520034
Energy: 1.1972244632783398
Energy: 1.4008447204510905
Energy: 1.199495781538792
Energy: 1.4008447204520034
Energy: 1.2106289252852998
Energy: 1.2121231306799525
Energy: 1.1975538889536084
Energy: 1.2121231306790394
Energy: 1.2106289252852998
Energy: 1.2121231306799525
Energy: 1.4048930157116668
Energy: 1.3875765345854592
Energy: 1.2105729789688497
Energy: 1.3875765345854592
Energy: 1.4048930157116668
Energy: 1.3875765345854592
Energy: 1.241348231479579
Energy: 1.4242801887436813
Energy: 1.4024723422670198
Energy: 1.4242801887436813
Energy: 1.2413482314804918
Energy: 1.4242801887436813
Energy: 1.210768806985092
Energy: 1.4985687087935806
Energy: 1.240468972120216
Energy: 1.4985687087935806
Energy: 1.210768806985092
Energy: 1.4985687087944934
Energy: 1.2002789431691834
Energy: 1.2110085970799087
Energy: 1.2000485122008508
Energy: 1.2110085970799087
Energy: 1.2002789431691834
Energy: 1.2110085970799087
Energy: 1.3192210109704845
Energy: 1.2830011830114976
Energy: 1.1975220368935402
Energy: 1.2830011830114976
Energy: 1.3192210109704845
Energy: 1.2830011830114976
Energy: 1.197126842411982
Energy: 1.5275653278593226
Energy: 1.2113581803221634
Energy: 1.5275653278593226
Energy: 1.197126842411982
Energy: 1.5275653278593226
Energy: 1.4094276121208367
Energy: 1.5281623261102886
Energy: 1.242723330319565
Energy: 1.5281623261102886
Energy: 1.4094276121208367
Energy: 1.5281623261102886
Energy: 1.197259051895204
Energy: 1.2949251608805608
Energy: 1.4428435598861067
Energy: 1.294925160879648
Energy: 1.1972590518961168
Energy: 1.294925160879648
Energy: 1.1984345010499007
Energy: 1.3885291115688516
Energy: 1.300828093154013
Energy: 1.3885291115688516
Energy: 1.1984345010499007
Energy: 1.3885291115697642
Energy: 1.2109383780754075
Energy: 1.3291988315786596
Energy: 1.2135036778400046
Energy: 1.3291988315795726
Energy: 1.2109383780754075
Energy: 1.3291988315795726
Energy: 1.1981537452302333
Energy: 1.3562279004924112
Energy: 1.1971076531376126
Energy: 1.3562279004933242
Energy: 1.1981537452302333
Energy: 1.3562279004924112
Energy: 1.5615835118828685
Energy: 1.4987449280536855
Energy: 1.240257180546056
Energy: 1.4987449280536855
Energy: 1.5615835118828685
Energy: 1.4987449280536855
Energy: 1.2403493845110432
Energy: 1.4986877282063613
Energy: 1.1972389669897783
Energy: 1.4986877282054485
Energy: 1.2403493845110432
Energy: 1.4986877282054485
Energy: 1.4027200607995205
Energy: 1.3563109037383208
Energy: 1.19742526267702
Energy: 1.3563109037383208
Energy: 1.4027200607995205
Energy: 1.3563109037383208
Energy: 1.2107654507661476
Energy: 1.386736674038173
Energy: 1.2115551897907533
Energy: 1.386736674038173
Energy: 1.2107654507661476
Energy: 1.386736674038173
Energy: 1.1971953465451228
Energy: 1.3979224216020143
Energy: 1.1976893760606437
Energy: 1.3979224216020143
Energy: 1.1971953465451228
Energy: 1.3979224216020143
Energy: 1.2406914059811855
Energy: 1.294124612563886
Energy: 1.198830869801142
Energy: 1.294124612563886
Energy: 1.2406914059820984
Energy: 1.2941246125647985
Energy: 1.2402339996912561
Energy: 1.530474706027857
Energy: 1.316689233220466
Energy: 1.530474706027857
Energy: 1.2402339996912561
Energy: 1.53047470602877
Energy: 1.2124059654899835
Energy: 1.5274514728431479
Energy: 1.2383018821835503
Energy: 1.5274514728431479
Energy: 1.2124059654899835
Energy: 1.5274514728431479
Energy: 1.197809484256404
Energy: 1.2836432368881805
Energy: 1.318994301153998
Energy: 1.2836432368881805
Energy: 1.197809484256404
Energy: 1.2836432368881805
Energy: 1.1974423080660974
Energy: 1.2110541166945659
Energy: 1.1993005393389324
Energy: 1.2110541166945659
Energy: 1.1974423080660974
Energy: 1.2110541166945659
Energy: 1.2404173089648105
Energy: 1.3952612232409916
Energy: 1.2107226253431298
Energy: 1.3952612232400787
Energy: 1.2404173089648105
Energy: 1.3952612232409916
Energy: 1.4032846365908713
Energy: 1.2954809934757285
Energy: 1.4048328476016887
Energy: 1.2954809934757285
Energy: 1.4032846365908713
Energy: 1.295480993474816
Energy: 1.2109768644773484
Energy: 1.3951849436759796
Energy: 1.2414549001130177
Energy: 1.3951849436759796
Energy: 1.2109768644773484
Energy: 1.3951849436759796
Energy: 1.2013492855897645
Energy: 1.2116479128714766
Energy: 1.2107085202260277
Energy: 1.2116479128714766
Energy: 1.2013492855897645
Energy: 1.2116479128714766
Energy: 1.1982506008813492
Energy: 1.401075972730998
Energy: 1.2003336857425322
Energy: 1.401075972730998
Energy: 1.1982506008822622
Energy: 1.401075972730998
Energy: 1.1973003844370953
Energy: 1.5272654197087667
Energy: 1.3869917007755828
Energy: 1.5272654197078541
Energy: 1.1973003844370953
Energy: 1.5272654197078541

minimum gb energy = 1.1971076531376126 eV
minimum distance =  2.16556549211126 Angstroms
sigma value = 57


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

Energy: 1.2846050161925273
Energy: 1.3174147412615822
Energy: 1.6393711761183665
Energy: 1.3174147412615822
Energy: 1.2846050161925273
Energy: 1.3174147412615822
Energy: 1.2534479153020068
Energy: 1.3070809725889774
Energy: 1.24640151195789
Energy: 1.3092930789213073
Energy: 1.2534479153020068
Energy: 1.3070809725889774
Energy: 1.2346294290978104
Energy: 1.316744844371957
Energy: 1.24865494564399
Energy: 1.316744844371957
Energy: 1.2346294290978104
Energy: 1.316744844371957
Energy: 1.2472222299686901
Energy: 1.4113999427574404
Energy: 1.2471855746838638
Energy: 1.438544183873594
Energy: 1.2472222299686901
Energy: 1.338386275071709
Energy: 1.2485947872463588
Energy: 1.3167386902526488
Energy: 1.246502460518686
Energy: 1.3167386902526488
Energy: 1.2485947872463588
Energy: 1.3167386902526488
Energy: 1.2464042393032768
Energy: 1.3070902893004916
Energy: 1.2536452850074205
Energy: 1.3070902893004916
Energy: 1.2464042393032768
Energy: 1.3070902893004916
Energy: 1.5444184550243198
Energy: 1.3174147412615822
Energy: 1.2846050161925273
Energy: 1.3174147412615822
Energy: 1.5444184550243198
Energy: 1.3174147412615822
Energy: 1.24640151195789
Energy: 1.3070809725889774
Energy: 1.2534479153020068
Energy: 1.3070809725889774
Energy: 1.24640151195789
Energy: 1.4403678505270467
Energy: 1.24865494564399
Energy: 1.3167448443735814
Energy: 1.234629429096186
Energy: 1.316744844371957
Energy: 1.24865494564399
Energy: 1.3167448443735814
Energy: 1.2471855746838638
Energy: 1.3383862750782067
Energy: 1.2472222299686901
Energy: 1.3383862750927895
Energy: 1.2471855746822396
Energy: 1.4617340712736049
Energy: 1.246502460518686
Energy: 1.3167386902526488
Energy: 1.2485947872447343
Energy: 1.3167386902526488
Energy: 1.246502460518686
Energy: 1.3167386902526488
Energy: 1.2536452850074205
Energy: 1.3070902893004916
Energy: 1.2464042393032768
Energy: 1.3070902893004916
Energy: 1.2536452850074205
Energy: 1.3070902893004916
Energy: 1.2846050161925273
Energy: 1.3174147412615822
Energy: 1.5444184550243198
Energy: 1.3174147412615822
Energy: 1.2846050161925273
Energy: 1.3174147412615822
Energy: 1.2534479153020068
Energy: 1.3070809725889774
Energy: 1.24640151195789
Energy: 1.3070809725889774
Energy: 1.2534479153020068
Energy: 1.3070809725889774
Energy: 1.2346294290978104
Energy: 1.316744844371957
Energy: 1.24865494564399
Energy: 1.316744844371957
Energy: 1.2346294290978104
Energy: 1.3167448443735814
Energy: 1.2472222299686901
Energy: 1.3383862751009115
Energy: 1.2471855746838638
Energy: 1.3383862751041604
Energy: 1.2472222299686901
Energy: 1.3383862751057847
Energy: 1.2485947872447343
Energy: 1.3167386902526488
Energy: 1.246502460518686
Energy: 1.3167386902526488
Energy: 1.2485947872463588
Energy: 1.3167386902526488

minimum gb energy = 1.234629429096186 eV
minimum distance =  2.24122252650007 Angstroms
sigma value = 9


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

Energy: 1.4616211373912364
Energy: 1.4005696366216884
Energy: 1.5327432460166301
Energy: 1.4005696366216884
Energy: 1.4616211373912364
Energy: 1.4005696366216884
Energy: 1.3295083755653616
Energy: 1.3936553820429094
Energy: 1.254841784856249
Energy: 1.3936553820429094
Energy: 1.3295083755653616
Energy: 1.3936553820415831
Energy: 1.264762919287462
Energy: 1.3913490493874505
Energy: 1.257519966128607
Energy: 1.3913490493901035
Energy: 1.264762919287462
Energy: 1.3913490493901035
Energy: 1.2639933287207064
Energy: 1.2852984218878893
Energy: 1.330590496075247
Energy: 1.2852984218852368
Energy: 1.2639933287207064
Energy: 1.2852984218852368
Energy: 1.328489162678988
Energy: 1.3590227007578646
Energy: 1.257619714265441
Energy: 1.3590227007591908
Energy: 1.328489162678988
Energy: 1.3590227007605171
Energy: 1.2639145332216495
Energy: 1.265547994347874
Energy: 1.388520376927321
Energy: 1.2655479943452215
Energy: 1.2639145332216495
Energy: 1.2655479943452215
Energy: 1.2660145386828567
Energy: 1.3636986943258111
Energy: 1.2574610533723534
Energy: 1.3636986943271376
Energy: 1.2660145386828567
Energy: 1.3636986943271376
Energy: 1.3256492306205139
Energy: 1.3794242852842333
Energy: 1.2547082544825745
Energy: 1.3794242852842333
Energy: 1.3256492306205139
Energy: 1.3794242852842333
Energy: 1.3246074940820025
Energy: 1.3557658660113467
Energy: 1.3395522488693847
Energy: 1.3557658660113467
Energy: 1.3246074940820025
Energy: 1.355765866012673
Energy: 1.3981460249340674
Energy: 1.410513129054637
Energy: 1.2550412261609583
Energy: 1.4105131290559634
Energy: 1.3981460249340674
Energy: 1.4105131290559634
Energy: 1.2667969782375832
Energy: 1.3177185123918265
Energy: 1.2939745349892107
Energy: 1.3177185123918265
Energy: 1.2667969782375832
Energy: 1.3177185123931525
Energy: 1.2637510332319266
Energy: 1.3816013903455262
Energy: 1.332885302342081
Energy: 1.3816013903455262
Energy: 1.2637510332319266
Energy: 1.3816013903455262
Energy: 1.2663939902416066
Energy: 1.3806258239601217
Energy: 1.291956946124362
Energy: 1.3806258239601217
Energy: 1.2663939902416066
Energy: 1.3806258239601217
Energy: 1.2639235281477268
Energy: 1.2649868995890516
Energy: 1.3319621123455743
Energy: 1.264986899590378
Energy: 1.2639235281477268
Energy: 1.264986899590378
Energy: 1.3973430188602174
Energy: 1.4104379222639323
Energy: 1.2733139975124383
Energy: 1.410437922262606
Energy: 1.3973430188602174
Energy: 1.410437922262606
Energy: 1.3245830549446767
Energy: 1.3849346396113713
Energy: 1.3316645015507156
Energy: 1.3849346396113713
Energy: 1.3245830549446767
Energy: 1.3849346396113713
Energy: 1.3248653323596344
Energy: 1.3856986961728934
Energy: 1.3310504651206707
Energy: 1.3856986961728934
Energy: 1.3248653323596344
Energy: 1.38569869617422
Energy: 1.4096426749442166
Energy: 1.4110734417392392
Energy: 1.255043591577588
Energy: 1.411073441737913
Energy: 1.4096426749442166
Energy: 1.4110734417392392
Energy: 1.2673474221506404
Energy: 1.2650262822755791
Energy: 1.3292381111682805
Energy: 1.2650262822755791
Energy: 1.2673474221506404
Energy: 1.2650262822755791
Energy: 1.2638504765056358
Energy: 1.3592486217600546
Energy: 1.255627343691516
Energy: 1.3592486217600546
Energy: 1.2638504765056358
Energy: 1.3592486217600546
Energy: 1.2670263467375389
Energy: 1.2682494303682041
Energy: 1.3314733486209052
Energy: 1.2682494303682041
Energy: 1.2670263467375389
Energy: 1.2682494303682041

minimum gb energy = 1.2547082544825745 eV
minimum distance =  2.25142699888198 Angstroms
sigma value = 27


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

Energy: 1.3475251131163648
Energy: 1.4376570203936099
Energy: 1.3960226405229732
Energy: 1.4376570203936099
Energy: 1.3475251131163648
Energy: 1.4376570203924917
Energy: 1.2539151285015204
Energy: 1.3734649002068908
Energy: 1.2505472264731783
Energy: 1.3734649002068908
Energy: 1.2539151285015204
Energy: 1.3734649002080084
Energy: 1.2611239089550772
Energy: 1.3984715508974521
Energy: 1.2506853525002064
Energy: 1.3984715508974521
Energy: 1.2611239089550772
Energy: 1.3984715508974521
Energy: 1.2623763280065095
Energy: 1.3509839579327825
Energy: 1.3302311857572124
Energy: 1.3509839579327825
Energy: 1.2623763280065095
Energy: 1.3509839579327825
Energy: 1.2527149498913965
Energy: 1.4254355766362135
Energy: 1.2512028697106556
Energy: 1.4254355766350955
Energy: 1.2527149498913965
Energy: 1.4254355766350955
Energy: 1.272961735695706
Energy: 1.2741650673999012
Energy: 1.2642006332234101
Energy: 1.274165067398783
Energy: 1.272961735695706
Energy: 1.2741650673999012
Energy: 1.2625860663133093
Energy: 1.364712073118822
Energy: 1.2507668102993583
Energy: 1.364712073118822
Energy: 1.2625860663133093
Energy: 1.364712073118822
Energy: 1.253059841330941
Energy: 1.318117785989097
Energy: 1.250859355775151
Energy: 1.318117785990215
Energy: 1.253059841330941
Energy: 1.318117785989097
Energy: 1.2971752272649932
Energy: 1.3407111204752704
Energy: 1.389435794030972
Energy: 1.3407111204763884
Energy: 1.2971752272649932
Energy: 1.3407111204752704
Energy: 1.2539560060248611
Energy: 1.3820475433915655
Energy: 1.3030014986017224
Energy: 1.3820475433926835
Energy: 1.2539560060248611
Energy: 1.3820475433926835
Energy: 1.2539482588186315
Energy: 1.3821548982094263
Energy: 1.3032949959325733
Energy: 1.3821548982094263
Energy: 1.2539482588186315
Energy: 1.3821548982094263
Energy: 1.2971667573655294
Energy: 1.340730799703217
Energy: 1.3892808108428496
Energy: 1.340730799703217
Energy: 1.2971667573644114
Energy: 1.340730799703217
Energy: 1.2530653327206436
Energy: 1.317947495166932
Energy: 1.252963490470178
Energy: 1.317947495165814
Energy: 1.2530653327206436
Energy: 1.317947495165814
Energy: 1.2625843366244818
Energy: 1.3647212797315653
Energy: 1.2508147809835926
Energy: 1.3647212797315653
Energy: 1.2625843366244818
Energy: 1.3647212797315653
Energy: 1.2729688794043368
Energy: 1.2742853657095616
Energy: 1.2642005446852387
Energy: 1.2742853657095616
Energy: 1.2729688794032188
Energy: 1.2742853657095616
Energy: 1.2526772298158988
Energy: 1.4254355766350955
Energy: 1.2511899948823557
Energy: 1.4254355766350955
Energy: 1.2526772298158988
Energy: 1.4254355766350955
Energy: 1.262379010976248
Energy: 1.350825089862071
Energy: 1.278642867655119
Energy: 1.350825089862071
Energy: 1.262379010976248
Energy: 1.350825089862071
Energy: 1.2611038718486816
Energy: 1.3982342715738845
Energy: 1.2504919631693512
Energy: 1.3982342715738845
Energy: 1.2611038718486816
Energy: 1.3982342715738845
Energy: 1.2538485447877687
Energy: 1.3744351111831623
Energy: 1.2505537443789703
Energy: 1.3744351111831623
Energy: 1.2538485447877687
Energy: 1.3744351111831623
Energy: 1.3475251131163648
Energy: 1.4376570203936099
Energy: 1.3537541890710567
Energy: 1.4376570203936099
Energy: 1.3475251131163648
Energy: 1.4376570203936099
Energy: 1.2539151285015204
Energy: 1.3734649002080084
Energy: 1.2505472264720603
Energy: 1.3734649002068908
Energy: 1.2539151285015204
Energy: 1.3734649002080084
Energy: 1.2611239089550772
Energy: 1.3984715508974521
Energy: 1.2506853525002064
Energy: 1.3984715508974521
Energy: 1.2611239089550772
Energy: 1.3984715508974521
Energy: 1.2623763280065095
Energy: 1.3509839579327825
Energy: 1.2720181917227043
Energy: 1.3509839579327825
Energy: 1.2623763280065095
Energy: 1.3509839579327825
Energy: 1.2527149498913965
Energy: 1.4254355766350955
Energy: 1.2512028697106556
Energy: 1.4254355766350955
Energy: 1.2527149498913965
Energy: 1.4254355766350955
Energy: 1.272961735695706
Energy: 1.274165067398783
Energy: 1.2642006332234101
Energy: 1.2741650673999012
Energy: 1.272961735695706
Energy: 1.2741650673999012

minimum gb energy = 1.2504919631693512 eV
minimum distance =  2.24394772886444 Angstroms
sigma value = 19


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

Energy: 1.429713245137227
Energy: 1.3645600141856984
Energy: 1.4494577694228523
Energy: 1.3645600141847334
Energy: 1.429713245137227
Energy: 1.3645600141856984
Energy: 1.2748473953912283
Energy: 1.3149990925979436
Energy: 1.2010897772308198
Energy: 1.3149990925979436
Energy: 1.2748473953912283
Energy: 1.3149990925969786
Energy: 1.2032337056827318
Energy: 1.366369753104763
Energy: 1.2015132559961434
Energy: 1.366369753104763
Energy: 1.2032337056827318
Energy: 1.366369753104763
Energy: 1.2085762023608257
Energy: 1.3839808369664701
Energy: 1.2040816270971044
Energy: 1.3839808369664701
Energy: 1.2085762023608257
Energy: 1.3839808369664701
Energy: 1.2085869941869216
Energy: 1.2037286479517306
Energy: 1.203762555548014
Energy: 1.2037286479517306
Energy: 1.2085869941869216
Energy: 1.2037286479517306
Energy: 1.2122338806149053
Energy: 1.3096049768733748
Energy: 1.203562093436324
Energy: 1.3096049768724096
Energy: 1.2122338806149053
Energy: 1.3096049768724096
Energy: 1.1838517732273728
Energy: 1.247461718675264
Energy: 1.203608734290966
Energy: 1.247461718675264
Energy: 1.1838517732273728
Energy: 1.247461718675264
Energy: 1.1990897403200271
Energy: 1.20439343372695
Energy: 1.2034530826585181
Energy: 1.20439343372695
Energy: 1.1990897403200271
Energy: 1.20439343372695
Energy: 1.2086317426560207
Energy: 1.3194049995609733
Energy: 1.2383444897293272
Energy: 1.3194049995609733
Energy: 1.2086317426560207
Energy: 1.3194049995609733
Energy: 1.209301615703816
Energy: 1.4054331074704753
Energy: 1.2017316235883417
Energy: 1.4054331074704753
Energy: 1.209301615703816
Energy: 1.4054331074704753
Energy: 1.1983175527251075
Energy: 1.376202915990784
Energy: 1.2229150301059777
Energy: 1.376202915990784
Energy: 1.1983175527251075
Energy: 1.376202915990784
Energy: 1.2744030524823993
Energy: 1.3499860003632
Energy: 1.201421440446573
Energy: 1.3499860003632
Energy: 1.2744030524823993
Energy: 1.3499860003632
Energy: 1.273740196358589
Energy: 1.3500668546929018
Energy: 1.2017492961630438
Energy: 1.3500668546919368
Energy: 1.273740196358589
Energy: 1.3500668546919368
Energy: 1.2173575161714225
Energy: 1.3900194111881523
Energy: 1.2712957506012146
Energy: 1.3900194111881523
Energy: 1.2173575161714225
Energy: 1.3900194111881523
Energy: 1.2087846044636215
Energy: 1.3869399603323438
Energy: 1.2012352896702176
Energy: 1.3869399603323438
Energy: 1.2087846044636215
Energy: 1.3869399603323438
Energy: 1.209317614090386
Energy: 1.3600959552408372
Energy: 1.182345445657372
Energy: 1.3600959552408372
Energy: 1.209317614090386
Energy: 1.3600959552408372
Energy: 1.2039005367761162
Energy: 1.3103116464292497
Energy: 1.2096787269501232
Energy: 1.3103116464311797
Energy: 1.2039005367751512
Energy: 1.3103116464311797
Energy: 1.1838627563082382
Energy: 1.2471120718106001
Energy: 1.1810473721896093
Energy: 1.2471120718096353
Energy: 1.1838627563082382
Energy: 1.2471120718096353
Energy: 1.2092119584676024
Energy: 1.3104585838239196
Energy: 1.2097520358057863
Energy: 1.3104585838239196
Energy: 1.2092119584666372
Energy: 1.3104585838239196
Energy: 1.2093262795197004
Energy: 1.3216235606181235
Energy: 1.1991993766580444
Energy: 1.3216235606190885
Energy: 1.2093262795197004
Energy: 1.3216235606190885
Energy: 1.2087682301297504
Energy: 1.3148752658058394
Energy: 1.2051248906681242
Energy: 1.3148752658068044
Energy: 1.2087682301297504
Energy: 1.3148752658068044
Energy: 1.2200448542075308
Energy: 1.3819598465101162
Energy: 1.2712325514282037
Energy: 1.3819598465101162
Energy: 1.2200448542075308
Energy: 1.3819598465101162
Energy: 1.253740657364724
Energy: 1.3640554030187997
Energy: 1.2014749132172533
Energy: 1.3640554030187997
Energy: 1.253740657364724
Energy: 1.3640554030187997
Energy: 1.2536829105076075
Energy: 1.2021834994543577
Energy: 1.2010224822279991
Energy: 1.2021834994543577
Energy: 1.2536829105076075
Energy: 1.2021834994543577
Energy: 1.2635964350620723
Energy: 1.3812526081971825
Energy: 1.2010433399500526
Energy: 1.3812526081952523
Energy: 1.2635964350620723
Energy: 1.3812526081952523
Energy: 1.2094687387428291
Energy: 1.1938437001571844
Energy: 1.201413921333454
Energy: 1.1938437001562194
Energy: 1.2094687387428291
Energy: 1.1938437001562194
Energy: 1.2086068561688585
Energy: 1.2040265434815522
Energy: 1.2497961511283244
Energy: 1.2040265434805872
Energy: 1.2086068561678933
Energy: 1.2040265434805872
Energy: 1.1925187785674678
Energy: 1.2037587585369778
Energy: 1.2035832093158532
Energy: 1.2037587585379428
Energy: 1.1925187785665028
Energy: 1.2037587585379428
Energy: 1.1838847043294929
Energy: 1.2482008389067965
Energy: 1.203533519261598
Energy: 1.2482008389067965
Energy: 1.1838847043294929
Energy: 1.2482008389067965

minimum gb energy = 1.1810473721896093 eV
minimum distance =  2.21058121941359 Angstroms
sigma value = 101


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

Energy: 1.5049813982198152
Energy: 1.1745096050012604
Energy: 1.2391190246128705
Energy: 1.1745096050004122
Energy: 1.5049813982206635
Energy: 1.1745096050004122
Energy: 1.1601010687840083
Energy: 1.2764746350369012
Energy: 1.1739904390448055
Energy: 1.2764746350369012
Energy: 1.1601010687840083
Energy: 1.2764746350369012
Energy: 1.143360655157461
Energy: 1.2749547198461872
Energy: 1.1737889128336871
Energy: 1.2749547198461872
Energy: 1.143360655157461
Energy: 1.2749547198461872
Energy: 1.140546058014094
Energy: 1.1503540140296813
Energy: 1.1476265260138516
Energy: 1.2410344472838188
Energy: 1.140546058014094
Energy: 1.1476422522394145
Energy: 1.1409308967825436
Energy: 1.1473595418795923
Energy: 1.1472461637492148
Energy: 1.1473595418795923
Energy: 1.1409308967825436
Energy: 1.1473595418795923
Energy: 1.1444043260652759
Energy: 1.2977159718187852
Energy: 1.1407274617263972
Energy: 1.2977159718179367
Energy: 1.1444043260652759
Energy: 1.2977159718170883
Energy: 1.1420428160035538
Energy: 1.3326204870412361
Energy: 1.136484699828797
Energy: 1.3326204870412361
Energy: 1.1420428160035538
Energy: 1.3326204870420848
Energy: 1.1469389239197174
Energy: 1.3131399883227315
Energy: 1.1467137274332948
Energy: 1.3344294859691004
Energy: 1.1469389239197174
Energy: 1.2431534146939855
Energy: 1.140924832823293
Energy: 1.2972173077270792
Energy: 1.143772888950003
Energy: 1.2972173077270792
Energy: 1.140924832823293
Energy: 1.2972173077270792
Energy: 1.1409395637529922
Energy: 1.2839930808774394
Energy: 1.1366189801747588
Energy: 1.2839930808774394
Energy: 1.1409395637529922
Energy: 1.2839930808774394
Energy: 1.1931615752571498
Energy: 1.2712185396375646
Energy: 1.3455548000250328
Energy: 1.2712185396384128
Energy: 1.1931615752571498
Energy: 1.2712185396384128
Energy: 1.174030481794671
Energy: 1.2771035430058297
Energy: 1.1365999782612082
Energy: 1.2771035430058297
Energy: 1.174030481794671
Energy: 1.2771035430058297
Energy: 1.1737548063913743
Energy: 1.1512182913424431
Energy: 1.1411496561617265
Energy: 1.151218291341595
Energy: 1.1737548063913743
Energy: 1.1512182913424431
Energy: 1.1476572489922414
Energy: 1.3250799038102947
Energy: 1.1585435915553195
Energy: 1.3324095464968537
Energy: 1.1476572489930899
Energy: 1.3250799038102947
Energy: 1.1431375543111255
Energy: 1.319445590409844
Energy: 1.159294366251392
Energy: 1.319445590409844
Energy: 1.143137554311974
Energy: 1.319445590409844
Energy: 1.1740227176757392
Energy: 1.1373863749062982
Energy: 1.1442193057990357
Energy: 1.1373863749173265
Energy: 1.174022717674891
Energy: 1.1373863749181747
Energy: 1.1364870895079051
Energy: 1.147584839433946
Energy: 1.14044429789899
Energy: 1.1475848394347947
Energy: 1.1364870895079051
Energy: 1.147584839433946
Energy: 1.1468121614384235
Energy: 1.1475500823960811
Energy: 1.1406329882327757
Energy: 1.1475500823960811
Energy: 1.1468121614392717
Energy: 1.1475500823960811
Energy: 1.1617613732549061
Energy: 1.2972479857670913
Energy: 1.1430076845565331
Energy: 1.2972479857670913
Energy: 1.1617613732549061
Energy: 1.2972479857662431
Energy: 1.1372964703778028
Energy: 1.3349111104363685
Energy: 1.140900305078327
Energy: 1.3349111104355202
Energy: 1.1372964703778028
Energy: 1.3349111104355202
Energy: 1.169224218033156
Energy: 1.146327190793774
Energy: 1.146948209506374
Energy: 1.146327190793774
Energy: 1.169224218033156
Energy: 1.146327190793774
Energy: 1.1407147652685643
Energy: 1.2995127435493594
Energy: 1.1437095735491716
Energy: 1.2995127435493594
Energy: 1.140714765267716
Energy: 1.299512743550208
Energy: 1.1449369552278523
Energy: 1.2819619088425027
Energy: 1.1408471297010743
Energy: 1.2819619088416545
Energy: 1.1449369552278523
Energy: 1.2819619088416545
Energy: 1.1405165655252967
Energy: 1.3263032042593499
Energy: 1.1951646184918912
Energy: 1.3263032042585017
Energy: 1.1405165655252967
Energy: 1.3263032042585017
Energy: 1.140752588960527
Energy: 1.3884701128913806
Energy: 1.1515424288053162
Energy: 1.3884701128913806
Energy: 1.140752588960527
Energy: 1.3884701128913806
Energy: 1.1414466741034153
Energy: 1.1419014477558314
Energy: 1.1740206367272616
Energy: 1.1419014477829774
Energy: 1.1414466741034153
Energy: 1.1419014477905738
Energy: 1.1603230888866816
Energy: 1.1332341674136417
Energy: 1.1320189829400542
Energy: 1.1332341674127933
Energy: 1.1603230888866816
Energy: 1.1332341674119448
Energy: 1.1605044792091208
Energy: 1.3191826362513692
Energy: 1.1319284236535376
Energy: 1.3191826362522174
Energy: 1.1605044792091208
Energy: 1.3191826362513692
Energy: 1.2393796529261456
Energy: 1.1410057293389786
Energy: 1.2372377236051952
Energy: 1.1410057293381304
Energy: 1.2393796529252974
Energy: 1.1410057293381304
Energy: 1.1406300889488943
Energy: 1.1419472843315117
Energy: 1.1337733309661517
Energy: 1.1419472843315117
Energy: 1.1406300889488943
Energy: 1.1419472843315117
Energy: 1.1405116457257816
Energy: 1.1584108941688986
Energy: 1.143372259913473
Energy: 1.1584108941697469
Energy: 1.1405116457257816
Energy: 1.1584108941697469
Energy: 1.1413000661603991
Energy: 1.282350534756442
Energy: 1.140682047613059
Energy: 1.282350534756442
Energy: 1.1413000661603991
Energy: 1.282350534756442
Energy: 1.1408507289010306
Energy: 1.1950308178963203
Energy: 1.1467336860884705
Energy: 1.1950308178971685
Energy: 1.1408507289010306
Energy: 1.1950308178971685

minimum gb energy = 1.1319284236535376 eV
minimum distance =  2.23544551860184 Angstroms
sigma value = 33


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

Energy: 0.014871887294311626
Energy: 0.01569523077689084
Energy: 1.4649823557953392
Energy: 0.01569523077759568
Energy: 0.014871887294311626
Energy: 0.01569523077759568
Energy: 0.015086058651973277
Energy: 0.6248104476776466
Energy: 0.015086058651973277
Energy: 0.6248104476783514
Energy: 0.015086058651973277
Energy: 0.6248104476776466
Energy: 1.2233102460417014
Energy: 0.01569523077689084
Energy: 0.014871887294311626
Energy: 0.01569523077689084
Energy: 1.2233102460417014
Energy: 0.01569523077759568
Energy: 0.015086058651973277
Energy: 0.6248104476776466
Energy: 0.015086058651973277
Energy: 0.6248104476783514
Energy: 0.015086058651973277
Energy: 0.6248104476776466

minimum gb energy = 0.014871887294311626 eV
minimum distance =  2.45313960099655 Angstroms
sigma value = 1