Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_005
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=2.855324655771256
cohesive_energy=4.122759316663293
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: 0.012772757543169245
Energy: 0.013397489354981893
Energy: 0.4263812565386536
Energy: 0.013397489354981893
Energy: 0.012772757543643999
Energy: 0.013397489355456649
Energy: 0.01339748935397653
Energy: 2.1573141555286215
Energy: 0.013397489355456649
Energy: 2.157314155524684
Energy: 0.013397489355959332
Energy: 2.1573141555261643
Energy: 0.42638125653915626
Energy: 0.01339748935397653
Energy: 0.012772757543169245
Energy: 0.013397489353501775
Energy: 0.42638125653767617
Energy: 0.013397489354479214
Energy: 0.013397489354479214
Energy: 2.1573141555290967
Energy: 0.01339748935397653
Energy: 2.1573141555217514
Energy: 0.013397489355959332
Energy: 2.1573141555286215
Energy: 0.012772757543643999
Energy: 0.013397489353501775
Energy: 0.42638125653767617
Energy: 0.013397489355456649
Energy: 0.012772757543643999
Energy: 0.013397489355456649
Energy: 0.013397489353501775
Energy: 2.157314155530102
Energy: 0.013397489354981893
Energy: 2.157314155527644
Energy: 0.013397489354981893
Energy: 2.157314155521249

minimum gb energy = 0.012772757543169245 eV
minimum distance =  2.45239185912053 Angstroms
sigma value = 1


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

Energy: 1.268465248598048
Energy: 1.33380618927597
Energy: 1.1528872001935675
Energy: 1.3338061892747597
Energy: 1.268465248598048
Energy: 1.3338061892747597
Energy: 1.2285884346355715
Energy: 1.3021192810268305
Energy: 1.261364182687101
Energy: 1.3021192810232003
Energy: 1.2285884346355715
Energy: 1.3021192810219906
Energy: 1.1185266422244842
Energy: 1.2997158461715461
Energy: 1.2609350956796217
Energy: 1.2997158461715461
Energy: 1.1185266422244842
Energy: 1.299715846172756
Energy: 1.291219861660146
Energy: 1.2774393045891286
Energy: 1.119829186775495
Energy: 1.2774393045867085
Energy: 1.2912198616613557
Energy: 1.2774393045903385
Energy: 1.2894739784285378
Energy: 1.3218389528730492
Energy: 1.2881090178166659
Energy: 1.3218389528742591
Energy: 1.289473978430958
Energy: 1.3218389528742591
Energy: 1.2619850199028078
Energy: 1.3036957888116554
Energy: 1.124428845946526
Energy: 1.3036957888104455
Energy: 1.2619850199028078
Energy: 1.3036957888104455
Energy: 1.2618394067910872
Energy: 1.2986783706433334
Energy: 1.1244952447416783
Energy: 1.2986783706433334
Energy: 1.2618394067910872
Energy: 1.2986783706433334
Energy: 1.3113970344416368
Energy: 1.3233083957541332
Energy: 1.1209141064104005
Energy: 1.3233083957541332
Energy: 1.3113970344416368
Energy: 1.323308395752923
Energy: 1.3267277341199557
Energy: 1.2699020674877708
Energy: 1.1196923313141147
Energy: 1.269902067490191
Energy: 1.3267277341199557
Energy: 1.2699020674950312
Energy: 1.2632928700372978
Energy: 1.2973866159525043
Energy: 1.1253310979924984
Energy: 1.2973866159500842
Energy: 1.2632928700372978
Energy: 1.2973866159500842
Energy: 1.1907503292909822
Energy: 1.2772647230272085
Energy: 1.2261665777089248
Energy: 1.2772647230320486
Energy: 1.1907503292982424
Energy: 1.2772647229679728
Energy: 1.1220773375511337
Energy: 1.3214222347046392
Energy: 1.1220850970885865
Energy: 1.3214222347046392
Energy: 1.1220773375523436
Energy: 1.3214222347046392
Energy: 1.226341231781895
Energy: 1.277264723042939
Energy: 1.11873331010621
Energy: 1.2772647230514087
Energy: 1.226341231780685
Energy: 1.277264723047779
Energy: 1.1255702206807803
Energy: 1.2976056570928287
Energy: 1.2632969073316074
Energy: 1.2976056570928287
Energy: 1.1255702206807803
Energy: 1.2976056570928287
Energy: 1.1195465560922246
Energy: 1.271269335525596
Energy: 1.3264105841400777
Energy: 1.2712693355243858
Energy: 1.1195465560910145
Energy: 1.2712693355243858
Energy: 1.120870268307463
Energy: 1.3233126612553114
Energy: 1.3114090956533744
Energy: 1.3233126612541013
Energy: 1.1208702683038327
Energy: 1.3233126612541013
Energy: 1.1243438068622125
Energy: 1.2984633919145614
Energy: 1.2624466997680392
Energy: 1.2984633919109314
Energy: 1.1243438068622125
Energy: 1.2984633919109314
Energy: 1.1247885990786501
Energy: 1.303930675906731
Energy: 1.2641694866062239
Energy: 1.303930675907941
Energy: 1.1247885990786501
Energy: 1.303930675907941
Energy: 1.193452780670338
Energy: 1.3219390795082357
Energy: 1.2890512528865166
Energy: 1.3219390795082357
Energy: 1.1934527806691284
Energy: 1.321939079509446
Energy: 1.119755287302881
Energy: 1.2669760867099018
Energy: 1.288968026317861
Energy: 1.2669760867074817
Energy: 1.119755287304091
Energy: 1.2669760867074817
Energy: 1.2608137409670652
Energy: 1.2997345387864312
Energy: 1.1185108484079593
Energy: 1.2997345387876416
Energy: 1.2608137409658553
Energy: 1.2997345387876416
Energy: 1.2630442535830777
Energy: 1.3012686928740944
Energy: 1.2281624175205532
Energy: 1.3012686928765147
Energy: 1.2630442535830777
Energy: 1.3012686928728845
Energy: 1.2261868335005452
Energy: 1.3338061892771798
Energy: 1.2684652485956278
Energy: 1.3338061892771798
Energy: 1.2261868334993353
Energy: 1.3338061892771798

minimum gb energy = 1.1185108484079593 eV
minimum distance =  2.23471955730916 Angstroms
sigma value = 33


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

Energy: 1.667674014512084
Energy: 1.3908579987235692
Energy: 1.2302815468813568
Energy: 1.390857998725603
Energy: 1.6676740145113957
Energy: 1.390857998725603
Energy: 1.2356874643616567
Energy: 1.3564241352794495
Energy: 1.3890141848628466
Energy: 1.3564241352787612
Energy: 1.2356874643609683
Energy: 1.3564241352794495
Energy: 1.1634109036681393
Energy: 1.3874014988471135
Energy: 1.3612495871276016
Energy: 1.387401498847802
Energy: 1.1634109036688276
Energy: 1.387401498847802
Energy: 1.2635231535255615
Energy: 1.3343538765920004
Energy: 1.3750464813861516
Energy: 1.3343538765926886
Energy: 1.2635231535262497
Energy: 1.3343538765940652
Energy: 1.2631820024424776
Energy: 1.3879134411830316
Energy: 1.3386862927441607
Energy: 1.3879134411830316
Energy: 1.2631820024424776
Energy: 1.3879134411830316
Energy: 1.2808687866806998
Energy: 1.3661110680999962
Energy: 1.1700041148352087
Energy: 1.3661110681013724
Energy: 1.280868786681388
Energy: 1.3661110681006845
Energy: 1.2809403914282278
Energy: 1.3660738907907906
Energy: 1.3020890777853786
Energy: 1.3660738907901027
Energy: 1.2809403914268516
Energy: 1.3660738907901027
Energy: 1.1958063509970316
Energy: 1.3679567337777587
Energy: 1.3250446865735894
Energy: 1.3679567337770704
Energy: 1.1958063509956551
Energy: 1.3679567337763825
Energy: 1.3037686259825296
Energy: 1.333552516902572
Energy: 1.3718735970883829
Energy: 1.333552516902572
Energy: 1.3037686259825296
Energy: 1.333552516899819
Energy: 1.2328737267815106
Energy: 1.3872133001965092
Energy: 1.2378055831311512
Energy: 1.3872133001978855
Energy: 1.232873726782199
Energy: 1.3872133001978855
Energy: 1.235180577485852
Energy: 1.3582263740615756
Energy: 1.284718075112911
Energy: 1.3582263740615756
Energy: 1.2351805774865405
Energy: 1.3582263740608875
Energy: 1.3599433589801124
Energy: 1.3690237167462336
Energy: 1.2556852547321702
Energy: 1.3690237167462336
Energy: 1.3599433589801124
Energy: 1.3690237167462336
Energy: 1.4270922703269626
Energy: 1.338066780764333
Energy: 1.2349765478810932
Energy: 1.3380667807663977
Energy: 1.427092270327651
Energy: 1.3380667807650215
Energy: 1.3065657817781207
Energy: 1.3871119004042984
Energy: 1.2925353684937406
Energy: 1.3871119004049866
Energy: 1.306565781776744
Energy: 1.387111900405675
Energy: 1.360979218286918
Energy: 1.3748211618242303
Energy: 1.3421918857911168
Energy: 1.3748211618249186
Energy: 1.360979218286918
Energy: 1.3748211618242303
Energy: 1.3614177041030044
Energy: 1.3878155323235417
Energy: 1.2550495896060436
Energy: 1.3878155323228536
Energy: 1.3614177041009399
Energy: 1.3878155323228536
Energy: 1.3784394109812559
Energy: 1.366516497958734
Energy: 1.2407268605173134
Energy: 1.3665164979573576
Energy: 1.3784394109805675
Energy: 1.3665164979573576
Energy: 1.3756972520478958
Energy: 1.3581073972756135
Energy: 1.3734441494342773
Energy: 1.3581073972756135
Energy: 1.3756972520465192
Energy: 1.3581073972756135
Energy: 1.1701412456654843
Energy: 1.3687488516402446
Energy: 1.325000988639522
Energy: 1.36874885163818
Energy: 1.1701412456641076
Energy: 1.36874885163818
Energy: 1.3157254171964496
Energy: 1.3286894656691064
Energy: 1.3725416083539197
Energy: 1.3286894656732358
Energy: 1.3157254171957615
Energy: 1.3286894656704828
Energy: 1.3595397705939718
Energy: 1.3880695299104038
Energy: 1.216451601032267
Energy: 1.3880695299097154
Energy: 1.3595397705939718
Energy: 1.3880695299090273
Energy: 1.2357231808248694
Energy: 1.358709576749886
Energy: 1.4274186429005498
Energy: 1.3587095767512625
Energy: 1.2357231808248694
Energy: 1.358709576749886
Energy: 1.2375778410477591
Energy: 1.3689889930777943
Energy: 1.37442271699474
Energy: 1.3689889930784827
Energy: 1.2375778410477591
Energy: 1.368988993079171
Energy: 1.4574100713453129
Energy: 1.3571995604710672
Energy: 1.2829953267960048
Energy: 1.3571995604710672
Energy: 1.4574100713466895
Energy: 1.3571995604710672
Energy: 1.2793925003949582
Energy: 1.366328375832631
Energy: 1.3612487337157548
Energy: 1.3663283758360723
Energy: 1.2793925003963345
Energy: 1.3663283758353841
Energy: 1.2916742299958264
Energy: 1.38790908790738
Energy: 1.246910003508587
Energy: 1.38790908790738
Energy: 1.2916742299951383
Energy: 1.38790908790738
Energy: 1.2917433032076502
Energy: 1.3881161474939403
Energy: 1.1890384690284366
Energy: 1.3881161474946286
Energy: 1.2917433032055854
Energy: 1.3881161474946286
Energy: 1.2794489002919966
Energy: 1.3663130879200813
Energy: 1.360695347261452
Energy: 1.3663130879207697
Energy: 1.2794489002926848
Energy: 1.3663130879207697
Energy: 1.4568991382786611
Energy: 1.3574667754843022
Energy: 1.2837783039660364
Energy: 1.3574667754836136
Energy: 1.4568991382772845
Energy: 1.3574667754836136
Energy: 1.2380446342037137
Energy: 1.3690248822068778
Energy: 1.30197102721144
Energy: 1.3690248822068778
Energy: 1.2380446342030254
Energy: 1.369024882207566
Energy: 1.2357350472413202
Energy: 1.3587095767540158
Energy: 1.4275578152649837
Energy: 1.3587095767533273
Energy: 1.235735047243385
Energy: 1.3587095767540158
Energy: 1.3594682202087613
Energy: 1.388647354421457
Energy: 1.2164878178933056
Energy: 1.3886473544207691
Energy: 1.359468220207385
Energy: 1.3886473544207691
Energy: 1.3161332389829694
Energy: 1.3324764298438432
Energy: 1.371584781954876
Energy: 1.3324764298424667
Energy: 1.3161332389843459
Energy: 1.3324764298417784
Energy: 1.1701446668183013
Energy: 1.3687293342401279
Energy: 1.2811902561864268
Energy: 1.3687293342415041
Energy: 1.1701446668176132
Energy: 1.3687293342401279
Energy: 1.3749128774991506
Energy: 1.3578615246541563
Energy: 1.4379177552695712
Energy: 1.3578615246555326
Energy: 1.374912877497117
Energy: 1.3578615246548444
Energy: 1.373697891116828
Energy: 1.3664836654721821
Energy: 1.2400733745464358
Energy: 1.3664836654735588
Energy: 1.3736978911175162
Energy: 1.3664836654728707
Energy: 1.3643430503471874
Energy: 1.388027786561714
Energy: 1.2084078135642984
Energy: 1.3880277865630908
Energy: 1.3643430503464993
Energy: 1.3880277865624022
Energy: 1.3629446365604034
Energy: 1.371898408274255
Energy: 1.3388190121598662
Energy: 1.371898408274255
Energy: 1.3629446365604034
Energy: 1.371898408274255
Energy: 1.3049216634148195
Energy: 1.3871496948312436
Energy: 1.292340012187937
Energy: 1.387149694831932
Energy: 1.3049216634148195
Energy: 1.3871496948312436
Energy: 1.4284331171366673
Energy: 1.3412406877651586
Energy: 1.2360079847689152
Energy: 1.3412406877665353
Energy: 1.4284331171366673
Energy: 1.3412406877672236
Energy: 1.3599357447465894
Energy: 1.368983863572736
Energy: 1.2058142013883772
Energy: 1.3689838635741125
Energy: 1.3599357447472777
Energy: 1.3689838635741125

minimum gb energy = 1.1634109036681393 eV
minimum distance =  2.2279867222358 Angstroms
sigma value = 51


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

Energy: 1.4365261224375863
Energy: 1.4072423129499856
Energy: 1.364475122577562
Energy: 1.4072423129467961
Energy: 1.4365261224375863
Energy: 1.4072423129483906
Energy: 1.2901925801473506
Energy: 1.4441207055713476
Energy: 1.638425981284418
Energy: 1.4441207808479135
Energy: 1.2901925801537293
Energy: 1.4441206664028678
Energy: 1.1699079826575434
Energy: 1.407586423445786
Energy: 1.5018784223050612
Energy: 1.407586423445786
Energy: 1.1699079826575434
Energy: 1.4075864234441913
Energy: 1.1817211992296215
Energy: 1.3482451432161735
Energy: 1.5056709848808125
Energy: 1.3482451432177682
Energy: 1.1817211992296215
Energy: 1.348245143219363
Energy: 1.1806990156219344
Energy: 1.3521045763725625
Energy: 1.4220583594422238
Energy: 1.3521045763725625
Energy: 1.1806990156219344
Energy: 1.3521045763709678
Energy: 1.4374609209576998
Energy: 1.3514427753414382
Energy: 1.5491009637763957
Energy: 1.3514427753414382
Energy: 1.4374609209576998
Energy: 1.3514427753414382
Energy: 1.4381439888484011
Energy: 1.351268631740843
Energy: 1.3059037335570423
Energy: 1.3512686317424378
Energy: 1.4381439888484011
Energy: 1.3512686317424378
Energy: 1.1819968297431926
Energy: 1.3484550414020897
Energy: 1.1618851173289182
Energy: 1.3484550414020897
Energy: 1.1819968297431926
Energy: 1.3484550414004952
Energy: 1.4379666746444921
Energy: 1.374396900754881
Energy: 1.192485213484344
Energy: 1.3743969007485024
Energy: 1.4379666746444921
Energy: 1.3743969007532864
Energy: 1.1724825111995152
Energy: 1.4361009811887244
Energy: 1.1618122941150986
Energy: 1.4361009811871661
Energy: 1.1724825111995152
Energy: 1.4361009811887244
Energy: 1.5094304679329744
Energy: 1.349702678456477
Energy: 1.5189741004722306
Energy: 1.3497026784548825
Energy: 1.5094304679345691
Energy: 1.3497026784548825
Energy: 1.43872983568673
Energy: 1.4075464868758407
Energy: 1.549043783673118
Energy: 1.4075464868758407
Energy: 1.4387298356851355
Energy: 1.4075464868758407
Energy: 1.3139111820521656
Energy: 1.3634077421028927
Energy: 1.5063899363212612
Energy: 1.363407742101298
Energy: 1.3139111820521656
Energy: 1.363407742101298
Energy: 1.172640426444929
Energy: 1.407489609694253
Energy: 1.515557896910161
Energy: 1.407489609695848
Energy: 1.1726404264465238
Energy: 1.407489609695848
Energy: 1.1698812764418742
Energy: 1.4078843909888805
Energy: 1.5096237086451834
Energy: 1.4078843909888805
Energy: 1.1698812764418742
Energy: 1.4078843909872858
Energy: 1.1807121122314648
Energy: 1.350155515442735
Energy: 1.5035412992638781
Energy: 1.3501555154220044
Energy: 1.1807121122330595
Energy: 1.3501555154411402
Energy: 1.43717092698545
Energy: 1.4080353842461883
Energy: 1.5450951492012102
Energy: 1.4080353842461883
Energy: 1.437170926983855
Energy: 1.4080353842461883
Energy: 1.4371836475358317
Energy: 1.3517081104205448
Energy: 1.5059028573642121
Energy: 1.3517081104237343
Energy: 1.4371836475804463
Energy: 1.3517081104221398

minimum gb energy = 1.1618122941150986 eV
minimum distance =  2.20473995655485 Angstroms
sigma value = 19


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

Energy: 1.5463370222061055
Energy: 1.5133222154175126
Energy: 1.271947955092859
Energy: 1.5133222154212962
Energy: 1.5463370222061055
Energy: 1.5133222154203503
Energy: 1.2623109930586094
Energy: 1.4827923820269486
Energy: 1.4216152660274874
Energy: 1.4827923820278943
Energy: 1.2623109930586094
Energy: 1.4827923820278943
Energy: 1.212097255286351
Energy: 1.4618509358074383
Energy: 1.3741369702583137
Energy: 1.4618509358074383
Energy: 1.2120972552854048
Energy: 1.4618509358074383
Energy: 1.233300998253745
Energy: 1.4492792289805294
Energy: 1.374605219308371
Energy: 1.4492792289786591
Energy: 1.233300998253745
Energy: 1.4492792289796053
Energy: 1.29789564984982
Energy: 1.5272891605908283
Energy: 1.5699096548666787
Energy: 1.5272891605908283
Energy: 1.29789564984982
Energy: 1.5272891605908283
Energy: 1.569747908525576
Energy: 1.5273481918041174
Energy: 1.2977374590995114
Energy: 1.5273481918041174
Energy: 1.56974790852463
Energy: 1.5273481918031715
Energy: 1.374263676386233
Energy: 1.4491521079474636
Energy: 1.2328201039904272
Energy: 1.4491521079484095
Energy: 1.3742636763673362
Energy: 1.4491521079484095
Energy: 1.3742612666916891
Energy: 1.4619022312803216
Energy: 1.212062329999776
Energy: 1.4619022312784296
Energy: 1.374261266690743
Energy: 1.4619022312784296
Energy: 1.4215302797390141
Energy: 1.4828396323505912
Energy: 1.2802413302242526
Energy: 1.4828396323505912
Energy: 1.4215302797371223
Energy: 1.4828396323505912
Energy: 1.2815438627318378
Energy: 1.5133222154203503
Energy: 1.5463370222061055
Energy: 1.5133222154203503
Energy: 1.2815438627318378
Energy: 1.5133222154184587
Energy: 1.4216152660265415
Energy: 1.4827923820260027
Energy: 1.2930572243056682
Energy: 1.4827923820260027
Energy: 1.4216152660255956
Energy: 1.4827923820269486
Energy: 1.3741369702602058
Energy: 1.4618509358064924
Energy: 1.212097255286351
Energy: 1.4618509358064924
Energy: 1.374136970257368
Energy: 1.4618509358055465
Energy: 1.3746052193045875
Energy: 1.4492792289786591
Energy: 1.233300998253745
Energy: 1.4492792289796053
Energy: 1.3746052193055331
Energy: 1.4492792289796053
Energy: 1.5699096548666787
Energy: 1.5272891605917742
Energy: 1.2978956498488738
Energy: 1.5272891605927201
Energy: 1.5699096548666787
Energy: 1.5272891605927201
Energy: 1.2977374590995114
Energy: 1.527348191805063
Energy: 1.517597848866212
Energy: 1.5273481918041174
Energy: 1.2977374590995114
Energy: 1.5273481918041174
Energy: 1.3041598405043935
Energy: 1.4491521079474636
Energy: 1.3742636762538696
Energy: 1.4491521079484095
Energy: 1.3041598405015555
Energy: 1.4491521079484095
Energy: 1.212062329999776
Energy: 1.4619022312784296
Energy: 1.374261266690743
Energy: 1.4619022312784296
Energy: 1.2120623300007218
Energy: 1.4619022312784296
Energy: 1.2802413302261444
Energy: 1.4828396323505912
Energy: 1.421530279733339
Energy: 1.482839632349645
Energy: 1.2802413302251985
Energy: 1.482839632349645
Energy: 1.5463370222061055
Energy: 1.5133222154203503
Energy: 1.313693488510833
Energy: 1.5133222154203503
Energy: 1.5463370222061055
Energy: 1.5133222154203503
Energy: 1.293057224304722
Energy: 1.4827923820269486
Energy: 1.4216152660255956
Energy: 1.4827923820269486
Energy: 1.2930572243037761
Energy: 1.4827923820269486
Energy: 1.212097255286351
Energy: 1.4618509358074383
Energy: 1.3741369702564221
Energy: 1.4618509358074383
Energy: 1.212097255286351
Energy: 1.4618509358074383
Energy: 1.233300998253745
Energy: 1.4492792289796053
Energy: 1.374605219306479
Energy: 1.4492792289796053
Energy: 1.233300998253745
Energy: 1.4492792289796053
Energy: 1.29789564984982
Energy: 1.5272891605908283
Energy: 1.5699096548657328
Energy: 1.5272891605917742
Energy: 1.29789564984982
Energy: 1.5272891605908283
Energy: 1.4588866794257611
Energy: 1.5273481918031715
Energy: 1.2977374590995114
Energy: 1.5273481918041174
Energy: 1.4588866794257611
Energy: 1.5273481918031715
Energy: 1.374263676260491
Energy: 1.4491521079484095
Energy: 1.3041598404968262
Energy: 1.4491521079474636
Energy: 1.3742636762831715
Energy: 1.4491521079474636
Energy: 1.3742612666916891
Energy: 1.4619022312784296
Energy: 1.212062329999776
Energy: 1.4619022312803216
Energy: 1.374261266690743
Energy: 1.4619022312803216
Energy: 1.4215302797352305
Energy: 1.4828396323505912
Energy: 1.2802413302251985
Energy: 1.4828396323505912
Energy: 1.4215302797361766
Energy: 1.482839632349645
Energy: 1.3136934884853149
Energy: 1.5133222154203503
Energy: 1.5463370222061055
Energy: 1.5133222154203503
Energy: 1.3136934884947524
Energy: 1.5133222154212962
Energy: 1.4216152660293795
Energy: 1.4827923820278943
Energy: 1.293057224304722
Energy: 1.4827923820269486
Energy: 1.4216152660274874
Energy: 1.4827923820278943
Energy: 1.3741369702602058
Energy: 1.4618509358055465
Energy: 1.212097255286351
Energy: 1.4618509358064924
Energy: 1.3741369702592598
Energy: 1.4618509358064924

minimum gb energy = 1.212062329999776 eV
minimum distance =  2.19725036505897 Angstroms
sigma value = 27


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

Energy: 1.1716960496065933
Energy: 1.358475052485722
Energy: 1.3975983378918917
Energy: 1.3584750524868807
Energy: 1.1716960496061457
Energy: 1.3584750524868807
Energy: 1.163174245057338
Energy: 1.4372449607369757
Energy: 1.2098558892853448
Energy: 1.437244960736528
Energy: 1.1631742450575748
Energy: 1.437244960734659
Energy: 1.1928353025058733
Energy: 1.4977899129676926
Energy: 1.2076840806008167
Energy: 1.4977899129674555
Energy: 1.1928353025056362
Energy: 1.4977899129672185
Energy: 1.1694506743997388
Energy: 1.3583054745494747
Energy: 1.1913116646651583
Energy: 1.3583054745494747
Energy: 1.1694506743999757
Energy: 1.3583054745485532
Energy: 1.2093479969325833
Energy: 1.365330717157868
Energy: 1.1934705657765552
Energy: 1.3653307171571833
Energy: 1.2093479969321095
Energy: 1.3653307171571833
Energy: 1.1910990836005717
Energy: 1.509254253963447
Energy: 1.2074233926826117
Energy: 1.5092542539653164
Energy: 1.19109908359965
Energy: 1.509254253964158
Energy: 1.2074032419693803
Energy: 1.3831385609524054
Energy: 1.1913033993252498
Energy: 1.3831385609519575
Energy: 1.2074032419691432
Energy: 1.3831385609505622
Energy: 1.1692331441904256
Energy: 1.365332523707678
Energy: 1.2112481320322492
Energy: 1.3653325237093106
Energy: 1.1692331441899517
Energy: 1.3653325237088365
Energy: 1.1912708086281927
Energy: 1.4407537290241743
Energy: 1.2074501546061502
Energy: 1.4407537290225418
Energy: 1.1912708086281927
Energy: 1.4407537290232528
Energy: 1.1911609571657347
Energy: 1.4553109707910914
Energy: 1.1911546000956208
Energy: 1.4553109707922498
Energy: 1.1911609571662085
Energy: 1.4553109707913285
Energy: 1.20422508071436
Energy: 1.4402268709796797
Energy: 1.1912170048210913
Energy: 1.4402268709806012
Energy: 1.20422508071436
Energy: 1.4402268709808383
Energy: 1.211150591084077
Energy: 1.36529171340291
Energy: 1.1691951020546325
Energy: 1.3652917134021991
Energy: 1.2111505910842875
Energy: 1.365291713402673

minimum gb energy = 1.163174245057338 eV
minimum distance =  2.23073291624384 Angstroms
sigma value = 9


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

Energy: 1.5964531119895273
Energy: 1.5554906725978128
Energy: 1.3091100736236185
Energy: 1.5554906725984639
Energy: 1.5964531119895273
Energy: 1.5554906725978128
Energy: 1.4153924490637775
Energy: 1.5262370067270714
Energy: 1.3144459972717297
Energy: 1.506973041859499
Energy: 1.415392449058569
Energy: 1.5262370067264204
Energy: 1.284506651839001
Energy: 1.5088422311778518
Energy: 1.3050823300764471
Energy: 1.5088422311765497
Energy: 1.284506651839001
Energy: 1.5088422311758989
Energy: 1.2398240669518708
Energy: 1.4746458583854147
Energy: 1.2146941991189741
Energy: 1.4746458583854147
Energy: 1.2398240669531726
Energy: 1.4746458583854147
Energy: 1.2384454381813603
Energy: 1.474377808253866
Energy: 1.2152890056243504
Energy: 1.4743778082551684
Energy: 1.2384454381813603
Energy: 1.4743778082551684
Energy: 1.2208513327989887
Energy: 1.4556886613979794
Energy: 1.2865267256036688
Energy: 1.4427088105009915
Energy: 1.2208513327989887
Energy: 1.455688661399932
Energy: 1.4768533609099577
Energy: 1.5078767300836693
Energy: 1.3185109887395765
Energy: 1.5078767300856224
Energy: 1.4768533609105794
Energy: 1.5078767300856224
Energy: 1.420172152269894
Energy: 1.4732831471386418
Energy: 1.3952428726319281
Energy: 1.4732831471392929
Energy: 1.420172152268592
Energy: 1.4732831471392929
Energy: 1.4115195991625042
Energy: 1.5007242648138055
Energy: 1.3189451720402796
Energy: 1.5007242648144563
Energy: 1.4115195991644574
Energy: 1.5007242648144563
Energy: 1.4227396078372039
Energy: 1.5243293503707962
Energy: 1.2378948901539628
Energy: 1.5243293503714475
Energy: 1.4227396078372039
Energy: 1.5243293503707962
Energy: 1.405937200278809
Energy: 1.4967432836293622
Energy: 1.318927353641252
Energy: 1.4967432836313153
Energy: 1.4059372002794601
Energy: 1.4967432836300134
Energy: 1.2918220207557725
Energy: 1.4727045386307436
Energy: 1.2908539303004452
Energy: 1.4727045386320456
Energy: 1.2918220207557725
Energy: 1.4727045386326967
Energy: 1.224822656323197
Energy: 1.4245962819756746
Energy: 1.2204728486226888
Energy: 1.4245962819750235
Energy: 1.2248226563225462
Energy: 1.4245962819743725
Energy: 1.4781943275875302
Energy: 1.5448213870042076
Energy: 1.2218295366422958
Energy: 1.5448213870035565
Energy: 1.4781943275862282
Energy: 1.5448213870035565
Energy: 1.2946290322138545
Energy: 1.4954318719148554
Energy: 1.3437394375457918
Energy: 1.4954318719135535
Energy: 1.2946290322138545
Energy: 1.4954318719148554
Energy: 1.3616541055723057
Energy: 1.477210268134424
Energy: 1.2905065651502226
Energy: 1.477210268133122
Energy: 1.3616541055710036
Energy: 1.477210268133122
Energy: 1.4250434247002113
Energy: 1.517516513874364
Energy: 1.3133028322953044
Energy: 1.517516513872411
Energy: 1.4250434247021646
Energy: 1.517516513873062
Energy: 1.2893051549301455
Energy: 1.4280784066583745
Energy: 1.307958477570068
Energy: 1.4280784066609786
Energy: 1.2893051549301455
Energy: 1.428078406664855
Energy: 1.4224767354192742
Energy: 1.5397502744057594
Energy: 1.2254595885815953
Energy: 1.5397502744077123
Energy: 1.4224767354192742
Energy: 1.5397502744057594
Energy: 1.2200470435034145
Energy: 1.5779362612113168
Energy: 1.2222354427496882
Energy: 1.565518828239448
Energy: 1.2200470435040653
Energy: 1.5655188282400991
Energy: 1.225328650658373
Energy: 1.5398167643881102
Energy: 1.4223751289409656
Energy: 1.5398167643868084
Energy: 1.225328650659024
Energy: 1.5398167643861573
Energy: 1.3080132080426623
Energy: 1.4304837129965722
Energy: 1.2896607231254797
Energy: 1.4304837129972234
Energy: 1.3080132080420113
Energy: 1.4304837129998274
Energy: 1.3133589031134862
Energy: 1.5173804798773851
Energy: 1.4248509056837293
Energy: 1.517380479876083
Energy: 1.3133589031134862
Energy: 1.517380479874781
Energy: 1.2916043191419355
Energy: 1.477497399171156
Energy: 1.362123260928165
Energy: 1.4774973991698541
Energy: 1.2916043191419355
Energy: 1.4774973991698541
Energy: 1.3502785272571336
Energy: 1.4956092003701942
Energy: 1.2942742178882145
Energy: 1.4956092003714963
Energy: 1.3502785272551805
Energy: 1.4956092003708452
Energy: 1.2219330474356884
Energy: 1.545370299052161
Energy: 1.4781383410093636
Energy: 1.545370299050859
Energy: 1.2219330474356884
Energy: 1.5453702990515104
Energy: 1.2206278535509372
Energy: 1.4251247184678753
Energy: 1.2242853269280907
Energy: 1.4251247184698281
Energy: 1.220627853548333
Energy: 1.4251247184685263
Energy: 1.2851317054813964
Energy: 1.4726739546547831
Energy: 1.2918480676689628
Energy: 1.472673954652179
Energy: 1.2851317054813964
Energy: 1.472673954652179
Energy: 1.3189252885703378
Energy: 1.4968365326735478
Energy: 1.3365657290228594
Energy: 1.4968365326748498
Energy: 1.3189252885703378
Energy: 1.496836532674199
Energy: 1.2384697859907277
Energy: 1.524892280652939
Energy: 1.4228383068732386
Energy: 1.524892280652939
Energy: 1.2384697859907277
Energy: 1.524892280652939
Energy: 1.322147559161454
Energy: 1.5007242648098993
Energy: 1.4119972931413267
Energy: 1.500724264808597
Energy: 1.322147559161454
Energy: 1.500724264808597
Energy: 1.3391361783504616
Energy: 1.4732521302663715
Energy: 1.4200693038427556
Energy: 1.4732521302650692
Energy: 1.3391361783504616
Energy: 1.4732521302650692
Energy: 1.3133643011633864
Energy: 1.5078898578052766
Energy: 1.6362091182985163
Energy: 1.5078898578059277
Energy: 1.3133643011614333
Energy: 1.5078898578052766
Energy: 1.3147620168609757
Energy: 1.4256985425953763
Energy: 1.2209727947208253
Energy: 1.4256985425940742
Energy: 1.3147620168609757
Energy: 1.4256985425940742
Energy: 1.2522940492225463
Energy: 1.4741966482820603
Energy: 1.2386184792517483
Energy: 1.4741966482827114
Energy: 1.2522940492075725
Energy: 1.4741966482820603
Energy: 1.2155877773755754
Energy: 1.476389739787679
Energy: 1.2398229310705555
Energy: 1.47638973978833
Energy: 1.2155877773749242
Energy: 1.47638973978833
Energy: 1.3053112733580965
Energy: 1.5087021082929852
Energy: 1.2839127670189512
Energy: 1.5087021082936363
Energy: 1.3053112733574455
Energy: 1.5087021082929852
Energy: 1.3156166935956792
Energy: 1.49009231367163
Energy: 1.415648142755769
Energy: 1.4900923136742343
Energy: 1.3156166935937263
Energy: 1.4900923136742343
Energy: 1.484279196197748
Energy: 1.5554906725978128
Energy: 1.5964531119901781
Energy: 1.5554906725991149
Energy: 1.48427919619905
Energy: 1.5554906725984639
Energy: 1.314445997277589
Energy: 1.5262370067290245
Energy: 1.4153924490663814
Energy: 1.5262370067283735
Energy: 1.314445997279542
Energy: 1.5262370067277224
Energy: 1.3050823300718901
Energy: 1.508842231178503
Energy: 1.284506651839001
Energy: 1.508842231179154
Energy: 1.305082330070588
Energy: 1.508842231179154
Energy: 1.2146941991189741
Energy: 1.4746458583873678
Energy: 1.2398240669538236
Energy: 1.474645858386066
Energy: 1.2146941991202465
Energy: 1.474645858386066
Energy: 1.2152890056230485
Energy: 1.474377808253215
Energy: 1.2384454381800585
Energy: 1.4743778082519132
Energy: 1.2152890056230485
Energy: 1.474377808252564

minimum gb energy = 1.2146941991189741 eV
minimum distance =  2.18516092893801 Angstroms
sigma value = 57


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

Energy: 1.6059532060015438
Energy: 1.5085150230015272
Energy: 1.1620402400126313
Energy: 1.5085150230015272
Energy: 1.6059532060000616
Energy: 1.5085150230015272
Energy: 1.6873071641925597
Energy: 1.4634224939534728
Energy: 1.2056593498060804
Energy: 1.4634224939534728
Energy: 1.6873071641910775
Energy: 1.4634224939549547
Energy: 1.1947765122597978
Energy: 1.466154790331484
Energy: 1.2026223314515023
Energy: 1.466154790330002
Energy: 1.1947765122597978
Energy: 1.466154790331484
Energy: 1.2832119999748421
Energy: 1.436592879047833
Energy: 1.365272119189379
Energy: 1.436592879047833
Energy: 1.2832119999748421
Energy: 1.436592879047833
Energy: 1.2012634974929377
Energy: 1.4223098527316158
Energy: 1.174908643944817
Energy: 1.4223098527316158
Energy: 1.2012634974929377
Energy: 1.4223098527301339
Energy: 1.577413985517644
Energy: 1.3946428545702623
Energy: 1.114728427713524
Energy: 1.3946428545687803
Energy: 1.577413985517644
Energy: 1.3946428545672984
Energy: 1.5748325788145683
Energy: 1.3950732633382994
Energy: 1.114158447489606
Energy: 1.395073263339781
Energy: 1.5748325788130861
Energy: 1.3950732633427452
Energy: 1.2010626933193977
Energy: 1.422360377242744
Energy: 1.2085231809140116
Energy: 1.422360377244226
Energy: 1.2010626933193977
Energy: 1.422360377244226
Energy: 1.283800544584556
Energy: 1.4364731337771273
Energy: 1.3690338364443562
Energy: 1.4364731337771273
Energy: 1.283800544584556
Energy: 1.4364731337786092
Energy: 1.1948112816975243
Energy: 1.439996104112294
Energy: 1.3109463542035484
Energy: 1.439996104113776
Energy: 1.1948112816975243
Energy: 1.439996104112294
Energy: 1.688588394156646
Energy: 1.4634224939534728
Energy: 1.1436515989473044
Energy: 1.4634224939519906
Energy: 1.688588394156646
Energy: 1.4634224939519906
Energy: 1.6059532060015438
Energy: 1.5085150230015272
Energy: 1.1620402368144918
Energy: 1.508515023003009
Energy: 1.6059532060000616
Energy: 1.508515023003009
Energy: 1.6873071641925597
Energy: 1.4634224939534728
Energy: 1.2056593498060804
Energy: 1.4634224939519906
Energy: 1.6873071641925597
Energy: 1.4634224939534728
Energy: 1.1947765122612797
Energy: 1.466154790331484
Energy: 1.202622331452984
Energy: 1.466154790331484
Energy: 1.1947765122597978
Energy: 1.466154790330002
Energy: 1.28321199997336
Energy: 1.436592879047833
Energy: 1.1973039980495
Energy: 1.436592879047833
Energy: 1.28321199997336
Energy: 1.436592879049315
Energy: 1.2012634974899739
Energy: 1.4223098527301339
Energy: 1.2834629960432162
Energy: 1.4223098527301339
Energy: 1.2012634974899739
Energy: 1.4223098527301339
Energy: 1.5774139855191258
Energy: 1.3946428545702623
Energy: 1.1147284277150058
Energy: 1.3946428545702623
Energy: 1.5774139855191258
Energy: 1.3946428545702623
Energy: 1.5748325788130861
Energy: 1.3950732633382994
Energy: 1.1141584474910882
Energy: 1.395073263339781
Energy: 1.5748325788130861
Energy: 1.3950732633412632
Energy: 1.2010626933193977
Energy: 1.422360377242744
Energy: 1.2085231809140116
Energy: 1.422360377244226
Energy: 1.2010626933193977
Energy: 1.422360377242744

minimum gb energy = 1.114158447489606 eV
minimum distance =  2.18028691413867 Angstroms
sigma value = 11


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

Energy: 1.2433384983717202
Energy: 1.364420798886281
Energy: 1.193260142538432
Energy: 1.3644207988841102
Energy: 1.2433384983728055
Energy: 1.3644207988841102
Energy: 1.719771814565639
Energy: 1.3110023608370367
Energy: 1.0536076138440835
Energy: 1.31100236083378
Energy: 1.719771814565639
Energy: 1.311002360831609
Energy: 1.2277153330910395
Energy: 1.2950756591608672
Energy: 1.1992870717270885
Energy: 1.2950756591597816
Energy: 1.2277153330910395
Energy: 1.2950756591597816
Energy: 1.2522976112956403
Energy: 1.2852454658607857
Energy: 1.0544893401139346
Energy: 1.2852454658597001
Energy: 1.2522976112902127
Energy: 1.285245465857529
Energy: 1.052748725706778
Energy: 1.3646843648705975
Energy: 1.074787006335263
Energy: 1.3646843648673408
Energy: 1.0527487257078636
Energy: 1.3646843648673408
Energy: 1.0663896547360252
Energy: 1.3497327322578825
Energy: 1.053189923675324
Energy: 1.3497327322589678
Energy: 1.0663896547360252
Energy: 1.3497327322589678
Energy: 1.0653758163777602
Energy: 1.3826830769987415
Energy: 1.063386544694008
Energy: 1.3826830769987415
Energy: 1.0653758163777602
Energy: 1.3826830769987415
Energy: 1.467200642439054
Energy: 1.3605746393704596
Energy: 1.0754952306694474
Energy: 1.3605746393682885
Energy: 1.4672006424401396
Energy: 1.3605746393682885
Energy: 1.4656991048142909
Energy: 1.3578048765937978
Energy: 1.4963011824477803
Energy: 1.3578048765948834
Energy: 1.4656991048153765
Energy: 1.3578048765959687
Energy: 1.0663619195093919
Energy: 1.2963123611476894
Energy: 1.0530554312998401
Energy: 1.2963123611476894
Energy: 1.0663619195093919
Energy: 1.296312361142262
Energy: 1.0656585177406954
Energy: 1.3467465063459365
Energy: 1.0648666472976127
Energy: 1.3467465063481074
Energy: 1.0656585177396098
Energy: 1.346746506347022
Energy: 1.0536920840429793
Energy: 1.360309306331041
Energy: 1.0543864311419815
Energy: 1.3603093063288698
Energy: 1.0536920840418935
Energy: 1.3603093063288698
Energy: 1.4687360599870596
Energy: 1.1933298545065294
Energy: 1.0753886313553866
Energy: 1.1933298545108715
Energy: 1.4687360599848884
Energy: 1.1933298545087003
Energy: 1.055668338569394
Energy: 1.298607159197051
Energy: 1.0779022206693543
Energy: 1.298607159197051
Energy: 1.0556683385184213
Energy: 1.298607159199222
Energy: 1.7164120593107768
Energy: 1.312308011514481
Energy: 1.0642009560463401
Energy: 1.312308011516652
Energy: 1.7164120593107768
Energy: 1.3123080115155663
Energy: 1.2365413003435688
Energy: 1.3599970865642335
Energy: 1.2726563586268709
Energy: 1.3599970865642335
Energy: 1.236541300342483
Energy: 1.3599970865642335
Energy: 1.7289347202582905
Energy: 1.3101310806846491
Energy: 1.075510057039845
Energy: 1.310131080680307
Energy: 1.7289347202582905
Energy: 1.310131080680307
Energy: 1.055223686970266
Energy: 1.298510270801095
Energy: 1.0837973893260169
Energy: 1.298510270801095
Energy: 1.0552236869735228
Energy: 1.2985102708000091
Energy: 1.2519996363694434
Energy: 1.284965185898761
Energy: 1.0522009421215976
Energy: 1.2849651858976752
Energy: 1.2519996363694434
Energy: 1.284965185898761
Energy: 1.0533133693837977
Energy: 1.3647085774770022
Energy: 1.0711317341311402
Energy: 1.3647085774791734
Energy: 1.053313369385969
Energy: 1.3647085774780876
Energy: 1.511536241918224
Energy: 1.3468572324459405
Energy: 1.0576179575650488
Energy: 1.3468572324448547
Energy: 1.5115362419193097
Energy: 1.3468572324448547
Energy: 1.0664654674363916
Energy: 1.3767734306304784
Energy: 1.0611505527212488
Energy: 1.3767734306304784
Energy: 1.0664654674353065
Energy: 1.3767734306315638
Energy: 1.470612784786354
Energy: 1.3576302413340355
Energy: 1.074356798643456
Energy: 1.3576302413340355
Energy: 1.4706127847874395
Energy: 1.3576302413351213
Energy: 1.054162612358399
Energy: 1.3654125642145591
Energy: 1.4772473816501137
Energy: 1.3654125642134736
Energy: 1.0541626123594847
Energy: 1.3654125642134736
Energy: 1.067914345937067
Energy: 1.2931209043222873
Energy: 1.0568447812308164
Energy: 1.293120904323373
Energy: 1.067914345937067
Energy: 1.2931209043222873
Energy: 1.0665710485548308
Energy: 1.3452083023172112
Energy: 1.060779119673972
Energy: 1.3452083023161254
Energy: 1.0665710485548308
Energy: 1.3452083023161254

minimum gb energy = 1.0522009421215976 eV
minimum distance =  2.23884149016831 Angstroms
sigma value = 41


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

Energy: 1.5367692222933427
Energy: 1.295839996799831
Energy: 1.041096001614003
Energy: 1.2958399968006866
Energy: 1.5367692222959093
Energy: 1.2958399968006866
Energy: 1.9397954687095722
Energy: 1.1932064918359555
Energy: 0.9831916522313736
Energy: 1.1932064918351002
Energy: 1.9397954687095722
Energy: 1.193206491837667
Energy: 1.1245381589264707
Energy: 1.2516008022955307
Energy: 1.014884562356282
Energy: 1.251600802297242
Energy: 1.1245381589256151
Energy: 1.2516008022963865
Energy: 1.494822813413107
Energy: 1.1676756795056458
Energy: 0.9830570651269435
Energy: 1.1676756795047902
Energy: 1.4948228134148183
Energy: 1.1676756795047902
Energy: 1.104086350247646
Energy: 1.1796857273813846
Energy: 1.004923711558539
Energy: 1.1796857273839514
Energy: 1.104086350247646
Energy: 1.17968572738224
Energy: 1.2920491031808083
Energy: 1.2308100953185706
Energy: 0.9830714085386163
Energy: 1.2308100953202816
Energy: 1.2920491031799526
Energy: 1.2308100953202816
Energy: 0.9833282669367865
Energy: 1.2394370878368222
Energy: 0.9850717486379237
Energy: 1.239437087839389
Energy: 0.9833282669367865
Energy: 1.2394370878385332
Energy: 1.3391782341360536
Energy: 1.2394553550262049
Energy: 1.0027130304439769
Energy: 1.2394553550253495
Energy: 1.3391782341360536
Energy: 1.2394553550262049
Energy: 0.9986468209613241
Energy: 1.2463700667411797
Energy: 1.2937777920239555
Energy: 1.2463700667428907
Energy: 0.9986468209613241
Energy: 1.2463700667428907
Energy: 1.3039289043814408
Energy: 1.2394466115574652
Energy: 1.3048514452031958
Energy: 1.2394466115574652
Energy: 1.303928904383152
Energy: 1.2394466115574652
Energy: 1.2973515103483437
Energy: 1.2969844475827246
Energy: 1.29740581482421
Energy: 1.2969844475818688
Energy: 1.2973515103491997
Energy: 1.2969844475818688
Energy: 0.9946261519491179
Energy: 1.2394626687901766
Energy: 1.0043567963923241
Energy: 1.2585091993440163
Energy: 0.9946261519491179
Energy: 1.2394626687901766
Energy: 0.9985501010402595
Energy: 1.2310356063822743
Energy: 1.2786353418945056
Energy: 1.2310356063805632
Energy: 0.9985501010402595
Energy: 1.2310356063805632
Energy: 0.9823149435445725
Energy: 1.2394750852504772
Energy: 0.9827078895642674
Energy: 1.2394750852504772
Energy: 0.9823149435454281
Energy: 1.2394750852504772
Energy: 1.3002429518767498
Energy: 1.2313184030706288
Energy: 0.9843133127969168
Energy: 1.231318403069773
Energy: 1.300242951878461
Energy: 1.231318403069773
Energy: 0.9859334102616425
Energy: 1.240300205561133
Energy: 0.9828550264133121
Energy: 1.240300205561133
Energy: 0.9859334102582201
Energy: 1.240300205561133
Energy: 1.2789266891671163
Energy: 1.2573571981892095
Energy: 1.005340116587585
Energy: 1.2573571981892095
Energy: 1.2789266891645494
Energy: 1.2573571981900655
Energy: 1.00575860842747
Energy: 1.2394085872707499
Energy: 0.9942916341125816
Energy: 1.2394085872716052
Energy: 1.005758608430037
Energy: 1.2394085872716052
Energy: 1.7094371474592631
Energy: 1.1967076271992059
Energy: 0.9844238939873017
Energy: 1.1967076271966393
Energy: 1.7094371474601189
Energy: 1.1967076272069066
Energy: 1.293945413561963
Energy: 1.239413802781412
Energy: 1.2964342593998561
Energy: 1.2394138027797006
Energy: 1.2939454135106263
Energy: 1.2394138027822674
Energy: 1.6950545218496773
Energy: 1.1936530235951848
Energy: 0.9960327358901354
Energy: 1.1936530235951848
Energy: 1.6950545218428323
Energy: 1.1936530235951848
Energy: 1.0067188758683125
Energy: 1.2398719295414657
Energy: 0.9956724722638856
Energy: 1.2398719295414657
Energy: 1.0067188758666012
Energy: 1.2398719295414657
Energy: 1.513034282887419
Energy: 1.168195935830632
Energy: 0.9846333486906278
Energy: 1.1681959358297767
Energy: 1.5130342828865633
Energy: 1.168195935830632
Energy: 0.9856669247847444
Energy: 1.2305831724594694
Energy: 1.1442047874985382
Energy: 1.2305831724594694
Energy: 0.9856669247856
Energy: 1.2305831724594694
Energy: 1.1433198650464154
Energy: 1.2303007658521274
Energy: 0.9830459645410403
Energy: 1.230300765851272
Energy: 1.1433198650464154
Energy: 1.2303007658521274
Energy: 0.9821786335809763
Energy: 1.1676457114327181
Energy: 1.1304074055073272
Energy: 1.1676457114344296
Energy: 0.9821786335809763
Energy: 1.1676457114344296
Energy: 1.3400835137069043
Energy: 1.239341311859679
Energy: 1.0035690561939357
Energy: 1.2393413118605348
Energy: 1.3400835137069043
Energy: 1.2393413118605348
Energy: 0.9948943497957058
Energy: 1.2426975738734294
Energy: 1.4855620165897143
Energy: 1.2426975738734294
Energy: 0.9948943497957058
Energy: 1.2426975738734294
Energy: 1.3052334201058609
Energy: 1.2391440031977772
Energy: 1.2924970308370207
Energy: 1.2391440031969214
Energy: 1.3052334201058609
Energy: 1.2391440031969214
Energy: 0.9824667688144018
Energy: 1.2092747826511676
Energy: 1.2929991215808683
Energy: 1.209274782650312
Energy: 0.9824667688152575
Energy: 1.2092747826494565
Energy: 0.9954387361501326
Energy: 1.2393283758859726
Energy: 1.0036631012540047
Energy: 1.239328375886828
Energy: 0.995438736149277
Energy: 1.239328375886828
Energy: 0.995020843054528
Energy: 1.2990754953229278
Energy: 1.2821202173190827
Energy: 1.2990754953229278
Energy: 0.9950208430536723
Energy: 1.2990754953229278
Energy: 0.9846996229607843
Energy: 1.2393602249535935
Energy: 0.9850295026777729
Energy: 1.2393602249535935
Energy: 0.9846996229607843
Energy: 1.2393602249535935

minimum gb energy = 0.9821786335809763 eV
minimum distance =  2.23504419399113 Angstroms
sigma value = 33


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

Energy: 1.2702307183379966
Energy: 1.1224286555360252
Energy: 0.9123743454996505
Energy: 1.1224286555354246
Energy: 1.2702307183367958
Energy: 1.1224286555354246
Energy: 1.8457525941533386
Energy: 1.0309549268264833
Energy: 0.886183909894073
Energy: 1.030954926831287
Energy: 1.8457525941521375
Energy: 1.0309549268342892
Energy: 1.263257940285858
Energy: 1.1204571437695727
Energy: 1.03566617163574
Energy: 1.1204571437701734
Energy: 1.2632579402876594
Energy: 1.1204571437707735
Energy: 1.7047101536716471
Energy: 1.0146729719153258
Energy: 0.8862199950089946
Energy: 1.0146729719117231
Energy: 1.7047101536710465
Energy: 1.0146729719117231
Energy: 0.9423608847313899
Energy: 1.0948589838221852
Energy: 0.8874350883989733
Energy: 1.0948589838215848
Energy: 0.9423608847307894
Energy: 1.0948589838209841
Energy: 1.3669262283605805
Energy: 1.0657411447743281
Energy: 0.8861369154587333
Energy: 1.0657411447737277
Energy: 1.3669262283599801
Energy: 1.0657411447731273
Energy: 0.9232082981100204
Energy: 1.0797076120258031
Energy: 0.8834939651275695
Energy: 1.0797076120282052
Energy: 0.9232082981040156
Energy: 1.0797076120282052
Energy: 1.2258718947987342
Energy: 1.069253105184811
Energy: 0.8944486974859869
Energy: 1.069253105184811
Energy: 1.225871894795732
Energy: 1.0692531051842107
Energy: 0.9017535900487003
Energy: 1.094347068553153
Energy: 1.0656990521025433
Energy: 1.0943470685537535
Energy: 0.9017535900468989
Energy: 1.094347068553153
Energy: 1.0855005107672655
Energy: 1.0980190065508757
Energy: 1.0887066451090939
Energy: 1.0980190065502753
Energy: 1.0855005107672655
Energy: 1.0980190065508757
Energy: 0.895875297880389
Energy: 1.079865452126114
Energy: 1.1161298967616216
Energy: 1.079865452126114
Energy: 0.8958752978809894
Energy: 1.0798654521267144
Energy: 1.3867214114695903
Energy: 1.1138951896548128
Energy: 1.1126709756535471
Energy: 1.113895189655413
Energy: 1.3867214114647863
Energy: 1.1138951896560139
Energy: 1.090064896062617
Energy: 1.094428365607028
Energy: 1.3926394508269266
Energy: 1.0944283656058271
Energy: 1.0900648960596147
Energy: 1.0944283656064275
Energy: 1.0989205197438563
Energy: 1.1150330185840402
Energy: 1.3937627780731494
Energy: 1.1150330185822388
Energy: 1.0989205197432559
Energy: 1.115033018581693
Energy: 1.0983183372786196
Energy: 1.0711802549672853
Energy: 1.3944435082212554
Energy: 1.0711802549678857
Energy: 1.0983183372774188
Energy: 1.0711802549612806
Energy: 1.0939360528719402
Energy: 1.1145553597660414
Energy: 1.1169738965057374
Energy: 1.1145553597648408
Energy: 1.0939360528737414
Energy: 1.1145553597648408
Energy: 1.087195132307308
Energy: 1.0952511342038602
Energy: 1.3140763324027445
Energy: 1.0952511342050613
Energy: 1.087195132307308
Energy: 1.0952511342050613
Energy: 0.8830920865478659
Energy: 1.1141135515669733
Energy: 1.1026532332111607
Energy: 1.114113551566373
Energy: 0.8830920865484663
Energy: 1.1141135515669733
Energy: 1.0975545442919408
Energy: 1.0927107748998761
Energy: 1.103788310164462
Energy: 1.0927107749004765
Energy: 1.0975545442937422
Energy: 1.0927107749010772
Energy: 0.8919180586258644
Energy: 1.1148012944587438
Energy: 0.8951780899084418
Energy: 1.1148012944575425
Energy: 0.8919180586252637
Energy: 1.1148012944575425
Energy: 1.0906371581379384
Energy: 1.0927470801536763
Energy: 1.0831983842651915
Energy: 1.0927470801518748
Energy: 1.090637158137338
Energy: 1.0927470801506736
Energy: 0.8969301711015615
Energy: 1.1142883998319566
Energy: 0.886424780526192
Energy: 1.1142883998319566
Energy: 0.8969301710985591
Energy: 1.1142883998331576
Energy: 1.3747621409094122
Energy: 1.1036750066574854
Energy: 0.883162844131576
Energy: 1.103675006658086
Energy: 1.3747621409082116
Energy: 1.103675006661689
Energy: 0.9238539532183184
Energy: 1.114155393686908
Energy: 0.886169563196153
Energy: 1.1141553936887094
Energy: 0.9238539532207203
Energy: 1.114155393688109
Energy: 1.3697634410468364
Energy: 1.0945192848501033
Energy: 1.0505068638051573
Energy: 1.0945192848489025
Energy: 1.3697634410498387
Energy: 1.0945192848483019
Energy: 1.1245369550990358
Energy: 1.114229903325913
Energy: 0.8903894016478401
Energy: 1.1142299033277145
Energy: 1.1245369550924853
Energy: 1.1142299033289154
Energy: 1.8463097996046256
Energy: 1.0444802517579481
Energy: 0.8831491269520256
Energy: 1.0444802517597496
Energy: 1.8463097996052262
Energy: 1.0444802517597496
Energy: 1.1407464718770854
Energy: 1.114169645861417
Energy: 1.10710795963652
Energy: 1.114169645860216
Energy: 1.1407464718806883
Energy: 1.114169645860216
Energy: 1.5241288317398407
Energy: 1.0853404992791609
Energy: 1.0911789562537506
Energy: 1.0853404992791609
Energy: 1.5241288317404411
Energy: 1.0853404992779598
Energy: 1.1236262414922489
Energy: 1.1137261732170127
Energy: 1.1062072822177786
Energy: 1.1137261732176131
Energy: 1.1236262414832416
Energy: 1.1137261732176131
Energy: 1.5306335257690704
Energy: 1.0157775202683492
Energy: 0.8830254423306051
Energy: 1.0157775202617438
Energy: 1.5306335257678694
Energy: 1.0157775202725527
Energy: 0.9265656766440443
Energy: 1.097955966568161
Energy: 1.1150333337112626
Energy: 1.097955966568161
Energy: 0.9265656766446448
Energy: 1.0979559665687617
Energy: 1.2268732289723476
Energy: 1.0662865837128461
Energy: 0.8914812018923101
Energy: 1.066286583711645
Energy: 1.2268732289729478
Energy: 1.066286583715248
Energy: 0.9029109185987713
Energy: 1.068867026993181
Energy: 1.4065769835686681
Energy: 1.068867026993181
Energy: 0.9029109185951685
Energy: 1.0688670269925802
Energy: 1.406682810180874
Energy: 1.0690091380360924
Energy: 0.9030266101091541
Energy: 1.069009138034291
Energy: 1.4066828101820747
Energy: 1.0690091380336904
Energy: 0.8914545193413905
Energy: 1.0657600322515803
Energy: 1.2265810405887132
Energy: 1.0657600322527814
Energy: 0.89145451934079
Energy: 1.0657600322527814
Energy: 1.1153543510619353
Energy: 1.0979386730062242
Energy: 0.9236983276860437
Energy: 1.0979386730062242
Energy: 1.1153543510613344
Energy: 1.0979386730062242
Energy: 0.8830544544384009
Energy: 1.014449164087991
Energy: 1.5296542739380814
Energy: 1.01444916408679
Energy: 0.8830544544390014
Energy: 1.0144491640873903
Energy: 1.1062072822171782
Energy: 1.113709518971306
Energy: 1.1259594004913898
Energy: 1.1137095189731074
Energy: 1.1062072822177786
Energy: 1.113709518972507
Energy: 0.9954649567404071
Energy: 1.0850211519485904
Energy: 1.5238143516882423
Energy: 1.0850211519485904
Energy: 0.9954649567386057
Energy: 1.0850211519485904
Energy: 1.1058239916777284
Energy: 1.1142052186494105
Energy: 1.1427984569325336
Energy: 1.1142052186470082
Energy: 1.105823991688537
Energy: 1.114205218647609
Energy: 0.8830812776712262
Energy: 1.045248788640921
Energy: 1.8467102108406035
Energy: 1.045248788638519
Energy: 0.8830812776688244
Energy: 1.0452487886391195
Energy: 0.8900147604996016
Energy: 1.1141685101178305
Energy: 1.121776438406284
Energy: 1.114168510118431
Energy: 0.890014760500202
Energy: 1.114168510118431
Energy: 0.9958603411299304
Energy: 1.0944858454566302
Energy: 1.36883877873086
Energy: 1.0944858454572306
Energy: 0.9958603411251268
Energy: 1.0944858454566302
Energy: 0.8861188224158285
Energy: 1.1140997144307887
Energy: 0.9266672627179539
Energy: 1.1140997144301883
Energy: 0.8861188224158285
Energy: 1.1140997144301883
Energy: 0.8830914673716612
Energy: 1.1036750066622893
Energy: 1.3736420252338635
Energy: 1.1036750066622893
Energy: 0.8830914673716612
Energy: 1.103675006664691
Energy: 0.8863095662688147
Energy: 1.1143083124996176
Energy: 0.9032402186321474
Energy: 1.1143083124990174
Energy: 0.8863095662694151
Energy: 1.1143083124990174

minimum gb energy = 0.8830254423306051 eV
minimum distance =  2.23346638264104 Angstroms
sigma value = 67


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

Energy: 0.3398252353218887
Energy: 0.2942816736606423
Energy: 1.6959512019145988
Energy: 0.29428167366025465
Energy: 0.3398252353218887
Energy: 0.29428167366025465
Energy: 0.27813583785606893
Energy: 0.7048515430426794
Energy: 0.7148203661662892
Energy: 0.7048515430438879
Energy: 0.2781358378564566
Energy: 0.7048515430438879
Energy: 0.3398252353226868
Energy: 0.2942816736610527
Energy: 1.7409067207375668
Energy: 0.2942816736606423
Energy: 0.33982523532229914
Energy: 0.2942816736606423
Energy: 0.278135837856867
Energy: 0.7048515430426794
Energy: 0.7148203002483535
Energy: 0.7048515430438879
Energy: 0.2781358378564566
Energy: 0.7048515430435004
Energy: 0.3398252353218887
Energy: 0.2942816736606423
Energy: 1.7409067212666667
Energy: 0.2942816736606423
Energy: 0.3398252353218887
Energy: 0.29428167366025465
Energy: 0.278135837856867
Energy: 0.7048515430430898
Energy: 0.7148203028693869
Energy: 0.7048515430438879
Energy: 0.27813583785606893
Energy: 0.7048515430442983
Energy: 0.33982523532229914
Energy: 0.2942816736610527
Energy: 1.7409067226269261
Energy: 0.2942816736606423
Energy: 0.33982523532229914
Energy: 0.2942816736606423

minimum gb energy = 0.27813583785606893 eV
minimum distance =  2.40058207775304 Angstroms
sigma value = 3


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

Energy: 1.4980850644753767
Energy: 1.1201447869890064
Energy: 0.945958513201688
Energy: 1.1201447869928294
Energy: 1.4980850644753767
Energy: 1.1201447869933754
Energy: 1.8856550451187344
Energy: 0.8778640020688571
Energy: 0.8701424728164132
Energy: 0.8778640020694031
Energy: 1.8856550451192806
Energy: 0.8778640020704953
Energy: 1.3403343042618716
Energy: 1.0973493813386554
Energy: 1.137125781896593
Energy: 1.0973493813381097
Energy: 1.340334304258049
Energy: 1.0973493813381097
Energy: 1.5940630185308458
Energy: 1.0385390526904912
Energy: 0.8694884037905887
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Energy: 0.853088943680579
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Energy: 1.0730172760570902
Energy: 1.4661985802566375
Energy: 1.084298235386188
Energy: 0.8612792362774797
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Energy: 1.1708018679808216
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Energy: 1.4319576161831258
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Energy: 0.9225733598545087
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Energy: 1.0673119109162823
Energy: 1.1516937125241529
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Energy: 1.1526637669552569
Energy: 1.0697427199513925
Energy: 0.9463844234861369
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Energy: 0.9422932757170512
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Energy: 1.1660430733296454
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Energy: 0.9422932757175974
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Energy: 1.0827341252190952
Energy: 1.1454763949452675
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Energy: 0.9188320870839296
Energy: 1.0384165207561717
Energy: 1.4466505220609949
Energy: 1.0384165207589027
Energy: 0.918832087081745
Energy: 1.0384165207589027
Energy: 0.9220009770279854
Energy: 1.0759776131165826
Energy: 1.1806514866761
Energy: 1.0759776131127596
Energy: 0.9220009770274392
Energy: 1.0759776131127596
Energy: 0.8771554458931791
Energy: 1.010178905556133
Energy: 1.448662992872896
Energy: 1.010178905557225
Energy: 0.8771554458937251
Energy: 1.0101789055555868
Energy: 0.9224002858488302
Energy: 1.089030538209146
Energy: 1.4594789106472312
Energy: 1.0890305382080538
Energy: 0.9224002858488302
Energy: 1.0890305382080538
Energy: 0.8695264910984827
Energy: 0.9217373077505981
Energy: 1.667517024112284
Energy: 0.9217373077522366
Energy: 0.8695264910968442
Energy: 0.9217373077516905
Energy: 0.8671546819617254
Energy: 1.097829967465445
Energy: 1.403634606305399
Energy: 1.0978299674665373
Energy: 0.8671546819611793
Energy: 1.0978299674670833
Energy: 0.8584306573976374
Energy: 0.922191173637535
Energy: 1.5265767693547265
Energy: 0.9221911736386272
Energy: 0.8584306573970911
Energy: 0.9221911736391735
Energy: 0.9244323610646074
Energy: 1.091067061545445
Energy: 1.4576975574308666
Energy: 1.0910670615514522
Energy: 0.9244323610662458
Energy: 1.091067061550906
Energy: 0.8730801714755776
Energy: 0.9141147837033363
Energy: 1.6000890997691746
Energy: 0.9141147837093436
Energy: 0.8730801714761237
Energy: 0.9141147837164433
Energy: 0.9164626739666042
Energy: 1.0779379491156487
Energy: 1.1799442476940176
Energy: 1.0779379491118257
Energy: 0.9164626739644195
Energy: 1.0779379491118257
Energy: 0.9284856440322524
Energy: 1.0372880604686403
Energy: 1.3246731973815462
Energy: 1.0372880604659098
Energy: 0.9284856440317064
Energy: 1.0372880604659098
Energy: 1.1752827872601417
Energy: 1.067000637257981
Energy: 1.162002153842105
Energy: 1.0670006372568888
Energy: 1.175282787261234
Energy: 1.0670006372568888

minimum gb energy = 0.8530889436789406 eV
minimum distance =  2.26116515543412 Angstroms
sigma value = 81


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

Energy: 1.4916859404463805
Energy: 1.2669303412561226
Energy: 1.0215363379336344
Energy: 1.2669303412561226
Energy: 1.4916859404471303
Energy: 1.2669303412561226
Energy: 1.7740738804692868
Energy: 0.9863864953893359
Energy: 0.972026545863925
Energy: 0.9863864953930837
Energy: 1.7740738804692868
Energy: 0.986386495393833
Energy: 1.4109687447744474
Energy: 1.2470829337853515
Energy: 1.091351077984105
Energy: 1.24708293378835
Energy: 1.410968744773698
Energy: 1.2470829337890994
Energy: 1.3581453971173596
Energy: 1.028713436439283
Energy: 0.9742173708078793
Energy: 1.028713436434786
Energy: 1.3581453971188588
Energy: 1.0287134364355355
Energy: 1.0994771003306225
Energy: 1.2176118463822863
Energy: 1.048283398834008
Energy: 1.2176118463800376
Energy: 1.0994771003321215
Energy: 1.217611846380787
Energy: 1.2058956963057845
Energy: 1.1935208047472743
Energy: 1.042799122313638
Energy: 1.1935208047502723
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Energy: 1.1935208047502723
Energy: 1.0588909326548825
Energy: 1.219970785489871
Energy: 1.2357503561618393
Energy: 1.2199707854891557
Energy: 1.0588909326563816
Energy: 1.219970785489871
Energy: 1.033010241776188
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Energy: 0.9554097372335864
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Energy: 1.3732647049347153
Energy: 1.2278055649841222
Energy: 0.9554097372328368
Energy: 1.2278055649841222
Energy: 0.9661706230107336
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Energy: 1.5599862097182369
Energy: 1.1725511850718082
Energy: 0.9661706230114832
Energy: 1.1725511850710588
Energy: 1.043498711901806
Energy: 1.2195027362147295
Energy: 1.3804039468306935
Energy: 1.21950273621398
Energy: 1.0434987119010906
Energy: 1.2195027362132305
Energy: 1.0435852568081416
Energy: 1.178008252841804
Energy: 1.358647807493862
Energy: 1.178008252844053
Energy: 1.0435852568096409
Energy: 1.1780082528433031
Energy: 1.0425577806276654
Energy: 1.2279087409209546
Energy: 1.0868191742764612
Energy: 1.2279087409172067
Energy: 1.0425577806276654
Energy: 1.2279087409172067
Energy: 1.0427154561900944
Energy: 1.1928272172077534
Energy: 1.1990051015538652
Energy: 1.192827217208503
Energy: 1.0427154561900944
Energy: 1.1928272172077534
Energy: 1.3574947563808801
Energy: 1.2070871071116365
Energy: 1.043137515900156
Energy: 1.2070871071131357
Energy: 1.3574947563816295
Energy: 1.2070871071123859
Energy: 1.3576075427248868
Energy: 1.2259223644385486
Energy: 1.0332762129104185
Energy: 1.2259223644370496
Energy: 1.3576075427241372
Energy: 1.2259223644370496
Energy: 1.3778545663674915
Energy: 1.2277864743188236
Energy: 0.9743808443237415
Energy: 1.2277864743203226
Energy: 1.3778545663674915
Energy: 1.2277864743203226
Energy: 1.377499207901258
Energy: 1.2168647362496245
Energy: 1.1192938242287118
Energy: 1.2168647362503744
Energy: 1.3774992079005084
Energy: 1.2168647362503744
Energy: 1.7646821210123247
Energy: 1.1723173823424056
Energy: 0.9614913977382953
Energy: 1.1723173823424056
Energy: 1.7646821210115755
Energy: 1.1723173823416562
Energy: 1.7646745680069926
Energy: 1.2149655753348152
Energy: 0.9604030795241985
Energy: 1.2149655753363142
Energy: 1.764674568006243
Energy: 1.2149655753363142
Energy: 1.377606278568293
Energy: 1.228450694035952
Energy: 1.2122300162512587
Energy: 1.228450694038201
Energy: 1.3776062785675434
Energy: 1.228450694038201
Energy: 1.3776330598209259
Energy: 1.2280276818362317
Energy: 0.978191187271679
Energy: 1.2280276818369813
Energy: 1.3776330598216755
Energy: 1.2280276818362317
Energy: 1.3575927830235717
Energy: 1.2260875352995613
Energy: 1.0330564876300048
Energy: 1.2260875353018097
Energy: 1.357592783022822
Energy: 1.2260875353025593
Energy: 1.3575070275254693
Energy: 1.2070960048863169
Energy: 1.0431834280359595
Energy: 1.2070960048848176
Energy: 1.3575070275247199
Energy: 1.207096004884068
Energy: 1.042659288309102
Energy: 1.193958426246598
Energy: 1.3671101307789981
Energy: 1.1939584262488128
Energy: 1.042659288308352
Energy: 1.1939584262488128
Energy: 1.0427127717475353
Energy: 1.2279487416752413
Energy: 1.0868858762522904
Energy: 1.2279487416744919
Energy: 1.042712771748285
Energy: 1.2279487416744919
Energy: 1.0431685315942478
Energy: 1.178008252840305
Energy: 1.358131075863784
Energy: 1.1780082528433031
Energy: 1.0431685315957469
Energy: 1.1780082528448026
Energy: 1.0432482389080537
Energy: 1.219303595950397
Energy: 1.3867573812405762
Energy: 1.2193035959496474
Energy: 1.0432482389080537
Energy: 1.2193035959488978
Energy: 0.9682366797192997
Energy: 1.1892397751475412
Energy: 1.6867774677121896
Energy: 1.1892397751490404
Energy: 0.9682366797192997
Energy: 1.18923977514979
Energy: 0.9616394133659961
Energy: 1.2279218087276558
Energy: 1.3727812458479454
Energy: 1.2279218087231587
Energy: 0.9616394133667456
Energy: 1.2279218087231587
Energy: 0.9687222500538792
Energy: 1.0327635921749312
Energy: 1.495875941377781
Energy: 1.032763592173432
Energy: 0.9687222500538792
Energy: 1.0327635921711837
Energy: 1.0556597871546578
Energy: 1.229604885858535
Energy: 1.378961260715177
Energy: 1.229604885858535
Energy: 1.0556597871546578
Energy: 1.229604885858535
Energy: 0.9744437858548277
Energy: 1.0797942251103416
Energy: 1.5822855434587062
Energy: 1.079794225114839
Energy: 0.9744437858548277
Energy: 1.0797942251103416
Energy: 1.0330333204511275
Energy: 1.1948065554954752
Energy: 1.086617193612351
Energy: 1.1948065554962248
Energy: 1.033033320448879
Energy: 1.1948065554969745
Energy: 1.059294381109182
Energy: 1.2241837279692862
Energy: 1.209084428029009
Energy: 1.2241837279692862
Energy: 1.059294381109182
Energy: 1.2241837279692862

minimum gb energy = 0.9554097372328368 eV
minimum distance =  2.18068785630583 Angstroms
sigma value = 43


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

Energy: 1.5305295109493453
Energy: 1.349523690042597
Energy: 1.0401121119318801
Energy: 1.3495236900416765
Energy: 1.530529510950266
Energy: 1.349523690042597
Energy: 1.6755153647078973
Energy: 1.0777357744713725
Energy: 1.0402288500758785
Energy: 1.0777357744722933
Energy: 1.6755153647078973
Energy: 1.0777357744722933
Energy: 1.0934959659924484
Energy: 1.3193449966817494
Energy: 1.2331763825520876
Energy: 1.3193449966808288
Energy: 1.0934959659915273
Energy: 1.319344996679908
Energy: 1.2156099185056244
Energy: 1.039287053500822
Energy: 1.0407700995009381
Energy: 1.039287053500822
Energy: 1.2156099185047036
Energy: 1.0392870534999015
Energy: 1.0481797076122583
Energy: 1.3239255911730152
Energy: 1.0481523753004605
Energy: 1.3239255911720949
Energy: 1.0481797076122583
Energy: 1.3239255911720949
Energy: 1.0237105290663149
Energy: 1.2970309004042035
Energy: 1.0332473095867984
Energy: 1.2970309004042035
Energy: 1.0237105290672355
Energy: 1.2970309004032827
Energy: 1.0330152448822267
Energy: 1.1832334879226287
Energy: 1.2360275414727275
Energy: 1.1832334879263113
Energy: 1.0330152448822267
Energy: 1.1832334879253907
Energy: 1.0584173083189592
Energy: 1.2900930549136937
Energy: 1.0743710044487542
Energy: 1.2900930549173761
Energy: 1.0584173083189592
Energy: 1.290093054912773
Energy: 1.0428301221235448
Energy: 1.1929130515977404
Energy: 1.56651960480454
Energy: 1.1929130515977404
Energy: 1.0428301221226242
Energy: 1.1929130515958992
Energy: 1.0334636414344331
Energy: 1.3128054824995168
Energy: 1.4382343177494525
Energy: 1.3128054825004376
Energy: 1.0334636414362743
Energy: 1.3128054825013582
Energy: 1.0330035658582057
Energy: 1.3271775033270594
Energy: 1.4051640975146846
Energy: 1.3271775033279805
Energy: 1.0330035658591263
Energy: 1.3271775033270594
Energy: 1.0406536924858931
Energy: 1.2904640558087495
Energy: 1.0742783146217725
Energy: 1.2904640558078289
Energy: 1.0406536924858931
Energy: 1.290464055806908
Energy: 1.0431764712103722
Energy: 1.0246361898555576
Energy: 1.3271903076186269
Energy: 1.0246361898555576
Energy: 1.0431764712103722
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Energy: 1.0316247289526588
Energy: 1.3136628007582043
Energy: 1.0333525125185468
Energy: 1.313662800759125
Energy: 1.0316247289526588
Energy: 1.313662800759125
Energy: 1.0331625314084596
Energy: 1.2969057354529598
Energy: 1.0236865629305445
Energy: 1.2969057354529598
Energy: 1.0331625314084596
Energy: 1.2969057354529598
Energy: 1.404587055460267
Energy: 1.1758627281798069
Energy: 1.0409093754185212
Energy: 1.1758627281807275
Energy: 1.404587055461188
Energy: 1.1758627281798069
Energy: 1.4055601350735405
Energy: 1.2901139915105517
Energy: 1.3355316022480501
Energy: 1.2901139915105517
Energy: 1.405560135074461
Energy: 1.2901139915105517
Energy: 1.4380586128402526
Energy: 1.3216027918195787
Energy: 1.0334118577949052
Energy: 1.3216027918195787
Energy: 1.4380586128393318
Energy: 1.3216027918204996
Energy: 1.4388945000021087
Energy: 1.3229008283127845
Energy: 1.0337817759314771
Energy: 1.3229008283127845
Energy: 1.4388945000011881
Energy: 1.3229008283127845
Energy: 1.4046230402781272
Energy: 1.338681518044823
Energy: 1.0325940927057513
Energy: 1.338681518045744
Energy: 1.4046230402781272
Energy: 1.338681518044823
Energy: 1.4055267948092676
Energy: 1.3561419729527817
Energy: 1.0325480157401516
Energy: 1.3561419729527817
Energy: 1.4055267948092676
Energy: 1.3561419729527817
Energy: 1.0316421358859407
Energy: 1.2971748890281323
Energy: 1.0251456822814502
Energy: 1.2971748890272328
Energy: 1.0316421358850199
Energy: 1.297174889026312
Energy: 1.0331517067738072
Energy: 1.3131482535107584
Energy: 1.0319234532706738
Energy: 1.3131482535125787
Energy: 1.0331517067738072
Energy: 1.3131482535116792
Energy: 1.0409985059254498
Energy: 1.322768203658653
Energy: 1.03131972954607
Energy: 1.322768203658653
Energy: 1.040998505927291
Energy: 1.322768203658653
Energy: 1.0430735666733153
Energy: 1.3561802067409905
Energy: 1.0762752050689672
Energy: 1.3561802067409905
Energy: 1.0430735666733153
Energy: 1.3561802067409905
Energy: 1.0338364001402114
Energy: 1.3256754466696106
Energy: 1.404787078221676
Energy: 1.3256754466696106
Energy: 1.0338364001392908
Energy: 1.3256754466696106
Energy: 1.033286023710377
Energy: 1.323240055990673
Energy: 1.4381726145368465
Energy: 1.3232400559915936
Energy: 1.033286023710377
Energy: 1.3232400559915936
Energy: 1.0437929033212627
Energy: 1.3284227956796333
Energy: 1.2960968042470045
Energy: 1.3284227956796333
Energy: 1.0437929033212627
Energy: 1.3284227956796333
Energy: 1.0605455641790023
Energy: 1.2899794850057895
Energy: 1.0762671149724496
Energy: 1.289979485003948
Energy: 1.0605455641790023
Energy: 1.2899794850048687
Energy: 1.0335562691719908
Energy: 1.1775641024623542
Energy: 1.2249101144291719
Energy: 1.1775641024623542
Energy: 1.0335562691710698
Energy: 1.1775641024632746
Energy: 1.0461531958131869
Energy: 1.2973260781053282
Energy: 1.0316518504888028
Energy: 1.2973260781053282
Energy: 1.0461531958131869
Energy: 1.2973260781062488

minimum gb energy = 1.0236865629305445 eV
minimum distance =  2.23091749268046 Angstroms
sigma value = 57


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

Energy: 1.2070465894158109
Energy: 1.4583190087166322
Energy: 1.1682144104079275
Energy: 1.45831900871544
Energy: 1.2070465894158109
Energy: 1.45831900871544
Energy: 1.4097637474033746
Energy: 1.2021186272035564
Energy: 1.12061781208256
Energy: 1.2021186272023645
Energy: 1.4097637474045666
Energy: 1.2021186272047486
Energy: 1.1366485122657684
Energy: 1.448317648102931
Energy: 1.331247760320114
Energy: 1.448317648102931
Energy: 1.1366485122657684
Energy: 1.448317648102931
Energy: 1.1440364990133043
Energy: 1.1343064473409947
Energy: 1.124062720851914
Energy: 1.1343064473409947
Energy: 1.1440364990133043
Energy: 1.134306447342187
Energy: 1.120345179044523
Energy: 1.1477311390172258
Energy: 1.1421718475865874
Energy: 1.1477311390184177
Energy: 1.120345179044523
Energy: 1.1477311390172258
Energy: 1.1539654184202615
Energy: 1.4350760354876182
Energy: 1.1241960183830375
Energy: 1.4350760354864263
Energy: 1.1539654184202615
Energy: 1.4350760354864263
Energy: 1.1344532861479544
Energy: 1.3163933396493965
Energy: 1.4091576283642868
Energy: 1.3163933396505887
Energy: 1.1344532861467622
Energy: 1.3163933396493965
Energy: 1.1324641968379905
Energy: 1.4451212526021366
Energy: 1.1859697443545516
Energy: 1.4451212526009445
Energy: 1.1324641968379905
Energy: 1.4451212526009445
Energy: 1.1206297371790295
Energy: 1.1972597064085273
Energy: 1.2837771047175652
Energy: 1.1972597064109116
Energy: 1.1206297371790295
Energy: 1.1972597064109116
Energy: 1.1397898833733897
Energy: 1.4305466970581748
Energy: 1.124170031045276
Energy: 1.4305466970593668
Energy: 1.1397898833733897
Energy: 1.4305466970581748
Energy: 1.1339569618499146
Energy: 1.1324873975867404
Energy: 1.1260947731552482
Energy: 1.1324873975879324
Energy: 1.1339569618499146
Energy: 1.1324873975867404
Energy: 1.1209924801557214
Energy: 1.3066539162623205
Energy: 1.1239934981877806
Energy: 1.3066539162599364
Energy: 1.1209924801557214
Energy: 1.3066539162599364
Energy: 1.1208356579002454
Energy: 1.4350649967365248
Energy: 1.166944248724162
Energy: 1.4350649967365248
Energy: 1.1208356579002454
Energy: 1.4350649967365248
Energy: 1.3923201742685023
Energy: 1.457501923432763
Energy: 1.1309669256016652
Energy: 1.457501923432763
Energy: 1.3923201742685023
Energy: 1.457501923431571
Energy: 1.6475986717562385
Energy: 1.44202245612037
Energy: 1.1314414716732508
Energy: 1.4420224561191777
Energy: 1.6475986717550464
Energy: 1.4420224561191777
Energy: 1.1212323737104561
Energy: 1.4665024840966139
Energy: 1.1208606528628886
Energy: 1.4665024840966139
Energy: 1.1212323737104561
Energy: 1.4665024840966139
Energy: 1.1210961557745518
Energy: 1.3163596689712376
Energy: 1.1333051727547412
Energy: 1.3163596689700454
Energy: 1.1210961557745518
Energy: 1.3163596689700454
Energy: 1.1321427639343566
Energy: 1.3291240796686246
Energy: 1.1320176468071859
Energy: 1.3291240796686246
Energy: 1.132142763935549
Energy: 1.3291240796722006
Energy: 1.1332878797847885
Energy: 1.316763968870484
Energy: 1.1211177664867749
Energy: 1.316763968871676
Energy: 1.1332878797847885
Energy: 1.316763968870484
Energy: 1.1207796296786594
Energy: 1.4666822114200142
Energy: 1.1214832721843349
Energy: 1.4666822114200142
Energy: 1.1207796296798516
Energy: 1.4666822114212066
Energy: 1.131887648742233
Energy: 1.442169495470449
Energy: 1.6475814415838608
Energy: 1.4421694954728332
Energy: 1.131887648742233
Energy: 1.442169495471641
Energy: 1.1312692405732485
Energy: 1.3032401785025476
Energy: 1.3925277874884725
Energy: 1.3032401785013554
Energy: 1.1312692405720566
Energy: 1.3032401785001635
Energy: 1.1798954712860075
Energy: 1.4352177727990962
Energy: 1.1207324521694564
Energy: 1.435217772797904
Energy: 1.1798954712860075
Energy: 1.435217772797904
Energy: 1.1239943897140565
Energy: 1.306291263199546
Energy: 1.1209913949461483
Energy: 1.3062912632019301
Energy: 1.1239943897140565
Energy: 1.306291263200738

minimum gb energy = 1.120345179044523 eV
minimum distance =  2.22248896213288 Angstroms
sigma value = 17


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

Energy: 1.5072851233780133
Energy: 1.2794827014084473
Energy: 1.7480991162385213
Energy: 1.2794827014084473
Energy: 1.5072851233763276
Energy: 1.2794827014084473
Energy: 1.4837083354037621
Energy: 1.2362545741038833
Energy: 1.235546315328461
Energy: 1.2362545741038833
Energy: 1.4837083354037621
Energy: 1.2362545741021973
Energy: 1.4868940423765844
Energy: 1.4182991564657494
Energy: 1.6450656751835728
Energy: 1.4182991564674352
Energy: 1.4868940423782702
Energy: 1.4182991564691207
Energy: 1.2678258167576328
Energy: 1.4058414791658074
Energy: 1.4550307879975952
Energy: 1.4058414791641214
Energy: 1.2678258167593186
Energy: 1.4058414791641214
Energy: 1.2491505642204752
Energy: 1.2418615798986772
Energy: 1.246200781493632
Energy: 1.2418615799054205
Energy: 1.249150564222161
Energy: 1.241861579888562
Energy: 1.2447665680466384
Energy: 1.2414174897909445
Energy: 1.2253498347225713
Energy: 1.2414174897909445
Energy: 1.2447665680466384
Energy: 1.2414174897909445
Energy: 1.249986637098051
Energy: 1.4453304502663749
Energy: 1.4871943601352173
Energy: 1.4453304502849196
Energy: 1.249986637098051
Energy: 1.4453304502866053
Energy: 1.4474043386986406
Energy: 1.4753892227346124
Energy: 1.4543939817321814
Energy: 1.4753892227346124
Energy: 1.4474043386986406
Energy: 1.4753892227362981
Energy: 1.4653170145465297
Energy: 1.4495190817641608
Energy: 1.2708034966102069
Energy: 1.449519081760789
Energy: 1.4653170145482157
Energy: 1.449519081762475
Energy: 1.4907326447944824
Energy: 1.2345647667352573
Energy: 1.2373246601400218
Energy: 1.2345647667318855
Energy: 1.4907326447944824
Energy: 1.2345647667335713
Energy: 1.491982109367068
Energy: 1.422570720650819
Energy: 1.2588266839868405
Energy: 1.4225707206541907
Energy: 1.491982109367068
Energy: 1.4225707206423894
Energy: 1.4593413744517079
Energy: 1.4712436781959257
Energy: 1.2338475926577468
Energy: 1.4712436781976115
Energy: 1.4593413744517079
Energy: 1.4712436781976115
Energy: 1.452569084195286
Energy: 1.457489354391023
Energy: 1.45024828903101
Energy: 1.457489354392709
Energy: 1.4525690841936
Energy: 1.457489354392709
Energy: 1.231994486166444
Energy: 1.4074295899342062
Energy: 1.4505063670443787
Energy: 1.4074295899342062
Energy: 1.23199448616813
Energy: 1.4074295899358922
Energy: 1.2371053739184552
Energy: 1.5612219886515557
Energy: 1.2254403374210683
Energy: 1.5612219886515557
Energy: 1.2371053739184552
Energy: 1.5612219886532412
Energy: 1.242001350010569
Energy: 1.3838358578306966
Energy: 1.2271468246129578
Energy: 1.3838358578306966
Energy: 1.2420013500088831
Energy: 1.3838358578306966
Energy: 1.2456718630176624
Energy: 1.4498022388404201
Energy: 1.4597171288020936
Energy: 1.449802238842106
Energy: 1.2456718630176624
Energy: 1.449802238842106

minimum gb energy = 1.2253498347225713 eV
minimum distance =  2.23949404078517 Angstroms
sigma value = 17


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

Energy: 1.6838190772283714
Energy: 1.6711701009431603
Energy: 1.384634884594576
Energy: 1.6711701009431603
Energy: 1.6838190772283714
Energy: 1.6711701009438111
Energy: 1.5046012825666544
Energy: 1.291148834276141
Energy: 1.2761552915780476
Energy: 1.29114883427549
Energy: 1.5046012825633992
Energy: 1.291148834274839
Energy: 1.282398415019482
Energy: 1.360535131625032
Energy: 1.3046232679598766
Energy: 1.360535131625683
Energy: 1.282398415018831
Energy: 1.360535131625683
Energy: 1.311801421482231
Energy: 1.547668312084119
Energy: 1.3235040668598848
Energy: 1.5476683120854209
Energy: 1.311801421482882
Energy: 1.54766831208477
Energy: 1.284729750504928
Energy: 1.3413346955107097
Energy: 1.5187722743599585
Energy: 1.3413346954989913
Energy: 1.2847297505036261
Energy: 1.341334695514616
Energy: 1.340325939911889
Energy: 1.5567320246676841
Energy: 1.3408600127086787
Energy: 1.556732024667033
Energy: 1.340325939911889
Energy: 1.556732024667033
Energy: 1.275270944252178
Energy: 1.3448024464144606
Energy: 1.5085587614798086
Energy: 1.3448024464125075
Energy: 1.275270944252178
Energy: 1.3448024464112056
Energy: 1.6009667944654773
Energy: 1.4164952345387665
Energy: 1.2787405498020783
Energy: 1.4164952345381157
Energy: 1.6009667944654773
Energy: 1.416495234533588
Energy: 1.3505648365782847
Energy: 1.6218091634352718
Energy: 1.3015184393052932
Energy: 1.6218091634352718
Energy: 1.3505648365795868
Energy: 1.6218091634346208
Energy: 1.6011620358943621
Energy: 1.3280758006297835
Energy: 1.2757292334734953
Energy: 1.330289020300329
Energy: 1.601162035896315
Energy: 1.3415834564334879
Energy: 1.3199730798707425
Energy: 1.6168287096287635
Energy: 1.3220824009816528
Energy: 1.6168287096216023
Energy: 1.3199730798720446
Energy: 1.6168287096216023
Energy: 1.297154453487816
Energy: 1.5650642987583123
Energy: 1.275388870358252
Energy: 1.5650642987609162
Energy: 1.2971544534884671
Energy: 1.5650642987596142
Energy: 1.2795688703514132
Energy: 1.4194937783752895
Energy: 1.6650534278792763
Energy: 1.4194937783765913
Energy: 1.2795688703514132
Energy: 1.4194937783765913
Energy: 1.2899201838187393
Energy: 1.5311945796820348
Energy: 1.6680906155721322
Energy: 1.5311945796807327
Energy: 1.2899201838174372
Energy: 1.5311945796852897
Energy: 1.2888139533481797
Energy: 1.6406826911353765
Energy: 1.3248435490658375
Energy: 1.6406826911366783
Energy: 1.2888139533475287
Energy: 1.6406826911366783
Energy: 1.3216530023450446
Energy: 1.6401554613849356
Energy: 1.275470315655194
Energy: 1.6807655824282965
Energy: 1.3216530023437425
Energy: 1.6401554613836338
Energy: 1.3166222024452607
Energy: 1.6428396815121145
Energy: 1.288268191758587
Energy: 1.6428396815127657
Energy: 1.3166222024452607
Energy: 1.6428396815121145
Energy: 1.6557100469670163
Energy: 1.51523735284871
Energy: 1.2999282809417365
Energy: 1.5152373528513141
Energy: 1.6557100469663655
Energy: 1.5152373528513141
Energy: 1.5739943184465641
Energy: 1.5171208570316455
Energy: 1.2756367359147829
Energy: 1.5171208570322965
Energy: 1.5739943184465641
Energy: 1.5171208570316455
Energy: 1.2787249401590481
Energy: 1.5880483478408534
Energy: 1.2790858520145196
Energy: 1.5067435076299962
Energy: 1.27872494016035
Energy: 1.587288305110322
Energy: 1.275420564533888
Energy: 1.5168103094118977
Energy: 1.4920599048908156
Energy: 1.5168103094131997
Energy: 1.275420564534539
Energy: 1.5168103094112468
Energy: 1.2979177357935006
Energy: 1.5132911552176005
Energy: 1.6556208263752388
Energy: 1.5132911552110904
Energy: 1.2979177357941516
Energy: 1.5132911552110904
Energy: 1.2924816787921247
Energy: 1.6430826322134688
Energy: 1.3166710754896618
Energy: 1.6430826322141199
Energy: 1.2924816787927758
Energy: 1.643082632214771
Energy: 1.2755360488329845
Energy: 1.6144564030964483
Energy: 1.3223451327846016
Energy: 1.6144564030951463
Energy: 1.2755360488316823
Energy: 1.5894470133610643
Energy: 1.32231939121837
Energy: 1.6408385625954212
Energy: 1.2802619560883919
Energy: 1.6408385625967232
Energy: 1.3223193912190208
Energy: 1.6408385625967232
Energy: 1.66842571770403
Energy: 1.5414998676347016
Energy: 1.289882627652814
Energy: 1.5414998676333997
Energy: 1.66842571770403
Energy: 1.5414998676099922
Energy: 1.665411269446508
Energy: 1.418241501450041
Energy: 1.2795708620599455
Energy: 1.4182415014637122
Energy: 1.66541126944781
Energy: 1.4182415014565513
Energy: 1.2754064670479635
Energy: 1.5580583761776867
Energy: 1.297745559401627
Energy: 1.558058376180942
Energy: 1.2754064670479635
Energy: 1.5580583761796398
Energy: 1.3233465096596968
Energy: 1.6171774126569929
Energy: 1.319891204711224
Energy: 1.6171774126582947
Energy: 1.323346509662952
Energy: 1.6171774126556908
Energy: 1.2756606738033285
Energy: 1.3415834564328368
Energy: 1.6012651389377663
Energy: 1.3415834564263565
Energy: 1.2756606738033285
Energy: 1.341583456435441
Energy: 1.2955064506197975
Energy: 1.6195295131687328
Energy: 1.3506536385339483
Energy: 1.6195295131667797
Energy: 1.2955064506191465
Energy: 1.6195295131674308
Energy: 1.278782927962714
Energy: 1.4161928756011912
Energy: 1.6011429399023622
Energy: 1.4161928756024933
Energy: 1.278782927961412
Energy: 1.4161928756018423
Energy: 1.5083120337921048
Energy: 1.3396968256559405
Energy: 1.2755260269741004
Energy: 1.3396968254619952
Energy: 1.5083120337901517
Energy: 1.3396968256071138
Energy: 1.343661193956768
Energy: 1.5579702692143407
Energy: 1.339968475162069
Energy: 1.5579702692156427
Energy: 1.343661193956768
Energy: 1.5579702692156427
Energy: 1.518563641721337
Energy: 1.341334695515267
Energy: 1.2805968052961787
Energy: 1.341334695514616
Energy: 1.518563641721337
Energy: 1.3413346955230794
Energy: 1.3246554314464216
Energy: 1.5659144485044876
Energy: 1.3118878264768423
Energy: 1.565914448506441
Energy: 1.3246554314444685
Energy: 1.565914448506441
Energy: 1.301344784852385
Energy: 1.3391030998507696
Energy: 1.2824087556440746
Energy: 1.3391030998501186
Energy: 1.3013447852844569
Energy: 1.3391030998527225
Energy: 1.276116189357478
Energy: 1.291386042620365
Energy: 1.5151944976746574
Energy: 1.291386042619063
Energy: 1.276116189357478
Energy: 1.291386042620365
Energy: 1.530801906134487
Energy: 1.6711701009418582
Energy: 1.6838190772303248
Energy: 1.6711701009418582
Energy: 1.530801906137091
Energy: 1.6711701009418582
Energy: 1.2761552915819536
Energy: 1.291148834276141
Energy: 1.5046012825640505
Energy: 1.29114883427549
Energy: 1.2761552915826047
Energy: 1.29114883427549
Energy: 1.304623267922147
Energy: 1.3605351316230792
Energy: 1.2823984150233882
Energy: 1.3605351316237302
Energy: 1.3046232678473089
Energy: 1.360535131624381
Energy: 1.323504066858583
Energy: 1.547668312082817
Energy: 1.3118014214776736
Energy: 1.547668312084119
Energy: 1.323504066863791
Energy: 1.547668312083468
Energy: 1.5187722743664687
Energy: 1.3413346955074545
Energy: 1.2847297505042772
Energy: 1.3413346955081056
Energy: 1.518772274369073
Energy: 1.341334695510059

minimum gb energy = 1.275270944252178 eV
minimum distance =  2.20541852670279 Angstroms
sigma value = 57


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

Energy: 1.4044116227252998
Energy: 1.6415976891296948
Energy: 1.5338446429388846
Energy: 1.641597689141355
Energy: 1.4044116227263599
Energy: 1.6415976891392352
Energy: 1.359295531689515
Energy: 1.295991001236241
Energy: 1.2953106220844555
Energy: 1.295991001233061
Energy: 1.3592955316884552
Energy: 1.2959910012351812
Energy: 1.2662664004608617
Energy: 1.4065451229215762
Energy: 1.4830539535001026
Energy: 1.40654512302329
Energy: 1.2662664004608617
Energy: 1.4065451230635222
Energy: 1.3780461260981545
Energy: 1.3870435276466635
Energy: 1.353171092794547
Energy: 1.3870435276487838
Energy: 1.3780461260960346
Energy: 1.3870435276509037
Energy: 1.2698573852466244
Energy: 1.4092431766774847
Energy: 1.380631918233101
Energy: 1.4092431766732447
Energy: 1.2698573852455644
Energy: 1.4092431766732447
Energy: 1.3684402576169958
Energy: 1.3660531510351608
Energy: 1.3497472550500182
Energy: 1.3660531510362206
Energy: 1.368440257615936
Energy: 1.3660531510383407
Energy: 1.269705294980023
Energy: 1.4530666612462004
Energy: 1.3180907254013132
Energy: 1.4530666612440803
Energy: 1.269705294981083
Energy: 1.4530666612472605
Energy: 1.6277173613557798
Energy: 1.3322257146615044
Energy: 1.2952418532081504
Energy: 1.3322257146106715
Energy: 1.62771736135366
Energy: 1.332225714700725
Energy: 1.3862130546144766
Energy: 1.677412440879795
Energy: 1.3137085611226544
Energy: 1.6774124408840352
Energy: 1.3862130546154883
Energy: 1.6774124408840352
Energy: 1.3564828603428385
Energy: 1.302441934326661
Energy: 1.298874628925159
Energy: 1.302441934329841
Energy: 1.3564828603417785
Energy: 1.3024419343287812
Energy: 1.2695117236420386
Energy: 1.477998324491205
Energy: 1.3530858445442153
Energy: 1.4779983244647046
Energy: 1.2695117236420386
Energy: 1.4779983248185584
Energy: 1.3648291169852527
Energy: 1.349029946366925
Energy: 1.3425372493521535
Energy: 1.3490299463637447
Energy: 1.3648291169863127
Energy: 1.349029946362685
Energy: 1.2747501895114588
Energy: 1.5158815144952098
Energy: 1.3555462148996495
Energy: 1.5158815144824898
Energy: 1.2747501895114588
Energy: 1.51588151450263
Energy: 1.3577556957452626
Energy: 1.4115488835549095
Energy: 1.3430072889365976
Energy: 1.4115488835453696
Energy: 1.3577556957463224
Energy: 1.4115488835453696
Energy: 1.2741553055696453
Energy: 1.3656042485129303
Energy: 1.314652722646355
Energy: 1.3656042485097502
Energy: 1.2741553055696453
Energy: 1.3656042485055102
Energy: 1.6270827739237497
Energy: 1.5596941791256487
Energy: 1.2983808856747265
Energy: 1.5596941791288286
Energy: 1.6270827737425826
Energy: 1.5596941791309487
Energy: 1.386085160842962
Energy: 1.5360095585546065
Energy: 1.3099498936278362
Energy: 1.5360095585111457
Energy: 1.386085160842962
Energy: 1.536009558406252
Energy: 1.3564289515896288
Energy: 1.3809315649368945
Energy: 1.3056765375122217
Energy: 1.380931564909334
Energy: 1.3564289515906887
Energy: 1.3809315649262943
Energy: 1.2743386397666148
Energy: 1.5190507487701252
Energy: 1.342065080057045
Energy: 1.5190507487754257
Energy: 1.2743386397676748
Energy: 1.5190507487733054
Energy: 1.3640562122815623
Energy: 1.528679539120866
Energy: 1.340161543449275
Energy: 1.528679539118746
Energy: 1.3640562122815623
Energy: 1.5286795391102657
Energy: 1.2837045919432308
Energy: 1.5250405448337625
Energy: 1.3427811487624868
Energy: 1.5250405448316424
Energy: 1.2837045919442909
Energy: 1.5250405448327025
Energy: 1.267659045187364
Energy: 1.5114430540141293
Energy: 1.3408360269921902
Energy: 1.5114430540183694
Energy: 1.2676590451863037
Energy: 1.5114430540183694
Energy: 1.2670467804813295
Energy: 1.3755380864097124
Energy: 1.309462920474565
Energy: 1.3755380865601388
Energy: 1.2670467804834495
Energy: 1.3755380863037587
Energy: 1.3763373710669737
Energy: 1.5297849019779397
Energy: 1.3057007313330717
Energy: 1.5297849020171124
Energy: 1.3763373710659137
Energy: 1.5297849019493193
Energy: 1.3783593306505613
Energy: 1.5281776470452046
Energy: 1.3008471814208638
Energy: 1.5281776470430846
Energy: 1.3783593306484412
Energy: 1.5281776470367245
Energy: 1.2672141260450358
Energy: 1.3755336684829575
Energy: 1.3110007105459813
Energy: 1.3755336684840176
Energy: 1.2672141260429157
Energy: 1.3755336684818977
Energy: 1.268033933132061
Energy: 1.5190732735447012
Energy: 1.3401223994687947
Energy: 1.5190732735447012
Energy: 1.268033933133121
Energy: 1.5190732735447012

minimum gb energy = 1.2662664004608617 eV
minimum distance =  2.23847819631291 Angstroms
sigma value = 43


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

Energy: 1.555155598500884
Energy: 1.6871158416046825
Energy: 1.3930838312096654
Energy: 1.6871158416054548
Energy: 1.555155598500884
Energy: 1.6871158416054548
Energy: 1.399286990588691
Energy: 1.3519755586368738
Energy: 1.312140648069367
Energy: 1.3519755586376463
Energy: 1.3992869905879186
Energy: 1.3519755586391906
Energy: 1.334331124075656
Energy: 1.4793589674347927
Energy: 1.5615327069559533
Energy: 1.4793589674347927
Energy: 1.3343311240764282
Energy: 1.4793589674340206
Energy: 1.4116781213945635
Energy: 1.6474196623109745
Energy: 1.5019150686997123
Energy: 1.6474196623102022
Energy: 1.4116781213945635
Energy: 1.6474196623109745
Energy: 1.3134179979455791
Energy: 1.373075018115432
Energy: 1.403622878000371
Energy: 1.3730750181115703
Energy: 1.3134179979448066
Energy: 1.373075018113115
Energy: 1.4938073376638688
Energy: 1.4592780961984062
Energy: 1.3442985394041487
Energy: 1.459278096197634
Energy: 1.4938073376638688
Energy: 1.459278096197634
Energy: 1.3434672979949498
Energy: 1.4601101836027734
Energy: 1.342639205344067
Energy: 1.460110183601229
Energy: 1.343467297995722
Energy: 1.4601101836027734
Energy: 1.4201154985528013
Energy: 1.3934092254128128
Energy: 1.315121951780143
Energy: 1.3934092254081787
Energy: 1.4201154985535736
Energy: 1.3934092254074062
Energy: 1.504445853868011
Energy: 1.6482065238380423
Energy: 1.5000648919440027
Energy: 1.6482065238357253
Energy: 1.5044458538672385
Energy: 1.6482065238357253
Energy: 1.5321417899092395
Energy: 1.467236498782935
Energy: 1.3319564574450986
Energy: 1.4672364987852518
Energy: 1.5321417899084673
Energy: 1.4672364987852518
Energy: 1.3126796212490124
Energy: 1.3776935250509446
Energy: 1.6099900894397232
Energy: 1.3776935250532616
Energy: 1.3126796212490124
Energy: 1.377693525052489
Energy: 1.3554160806691469
Energy: 1.575046337059139
Energy: 1.4333737933127069
Energy: 1.5750463370745855
Energy: 1.3554160806699191
Energy: 1.575046337199669
Energy: 1.3181589955430761
Energy: 1.3526067707982141
Energy: 1.5008545014083463
Energy: 1.3526067707982141
Energy: 1.3181589955423036
Energy: 1.3526067707997587
Energy: 1.5010884293310502
Energy: 1.5432947521267908
Energy: 1.3319476858710178
Energy: 1.5432947521237017
Energy: 1.5010884293318225
Energy: 1.5432947521237017
Energy: 1.4993516369978155
Energy: 1.6528969888722522
Energy: 1.3392771436000543
Energy: 1.652896988873797
Energy: 1.4993516369985878
Energy: 1.6528969888722522
Energy: 1.4922454636743983
Energy: 1.5046738607927623
Energy: 1.3167133159335702
Energy: 1.5046738607927623
Energy: 1.4922454636751705
Energy: 1.5046738607927623
Energy: 1.3443478195195009
Energy: 1.647317262184992
Energy: 1.4905985690092456
Energy: 1.6473172621857641
Energy: 1.3443478195187286
Energy: 1.6473172621788132
Energy: 1.3404207160114046
Energy: 1.4636918714778275
Energy: 1.3448652784873296
Energy: 1.463691871479372
Energy: 1.340420716012949
Energy: 1.463691871479372
Energy: 1.3388268157406442
Energy: 1.450348359466046
Energy: 1.5214846651575662
Energy: 1.4503483594668185
Energy: 1.3388268157406442
Energy: 1.4503483594683633
Energy: 1.3455950820132834
Energy: 1.5704084405429997
Energy: 1.4995512773670379
Energy: 1.5704084405429997
Energy: 1.3455950820125113
Energy: 1.5704084405422274
Energy: 1.336011910690548
Energy: 1.5353243746538825
Energy: 1.3559948661690668
Energy: 1.5353243746569718
Energy: 1.3360119106920927
Energy: 1.5353243746546545
Energy: 1.6190133352574645
Energy: 1.4746307630896849
Energy: 1.3190948932658526
Energy: 1.4746307630881403
Energy: 1.6190133352566924
Energy: 1.4746307630912299
Energy: 1.7102345031681763
Energy: 1.5055967831837185
Energy: 1.3565731231732612
Energy: 1.5055967831860355
Energy: 1.7102345031689485
Energy: 1.5055967831860355
Energy: 1.3508956094552305
Energy: 1.5302488217585004
Energy: 1.3544863731088346
Energy: 1.530248821759273
Energy: 1.350895609454458
Energy: 1.5302488217585004
Energy: 1.336486050321175
Energy: 1.66242920707796
Energy: 1.5068576785913854
Energy: 1.6624292070818218
Energy: 1.3364860503219473
Energy: 1.6624292070818218
Energy: 1.3437619673077819
Energy: 1.5434541639397357
Energy: 1.5038709887821278
Energy: 1.5434541639374189
Energy: 1.3437619673077819
Energy: 1.5434541639366466
Energy: 1.3422094924307677
Energy: 1.5049653638500657
Energy: 1.492001658374209
Energy: 1.5049653638546998
Energy: 1.3422094924307677
Energy: 1.504965363846204
Energy: 1.4901925269006289
Energy: 1.717650097626553
Energy: 1.4896974366540756
Energy: 1.717650097626553
Energy: 1.4901925268998566
Energy: 1.7176500976273255
Energy: 1.4916620747899032
Energy: 1.4529257629019268
Energy: 1.347219786574496
Energy: 1.4529257629026993
Energy: 1.4916620747899032
Energy: 1.4529257629026993
Energy: 1.5036720587505343
Energy: 1.536861444646795
Energy: 1.345635965227249
Energy: 1.5368614446452504
Energy: 1.5036720587505343
Energy: 1.536861444646795
Energy: 1.5013890906408986
Energy: 1.5703830651775974
Energy: 1.3398470794069903
Energy: 1.5703830651760526
Energy: 1.5013890906416711
Energy: 1.5703830651752801
Energy: 1.354675842175915
Energy: 1.7334500697456066
Energy: 1.3326742013290958
Energy: 1.7334500697486959
Energy: 1.3546758421766876
Energy: 1.7334500697479234
Energy: 1.3562152661209297
Energy: 1.6134182766848826
Energy: 1.6095994239125035
Energy: 1.613418276685655
Energy: 1.3562152661209297
Energy: 1.613418276685655
Energy: 1.3179593314088272
Energy: 1.454159809893848
Energy: 1.7078427152956976
Energy: 1.45415980989462
Energy: 1.3179593314095996
Energy: 1.45415980989462
Energy: 1.3563442534537578
Energy: 1.5372000979029625
Energy: 1.3387341900069025
Energy: 1.5372000978821447
Energy: 1.3563442534529855
Energy: 1.5372000979122304
Energy: 1.4997467250792198
Energy: 1.6618208063722524
Energy: 1.3326601671070382
Energy: 1.6618208063730249
Energy: 1.4997467250784473
Energy: 1.6618208063714803

minimum gb energy = 1.312140648069367 eV
minimum distance =  2.23427648320787 Angstroms
sigma value = 81


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

Energy: 1.3578203030269596
Energy: 1.360555042086644
Energy: 1.5489306391571762
Energy: 1.3605550420872243
Energy: 1.3578203030269596
Energy: 1.3605550420860635
Energy: 1.549138641274497
Energy: 1.360521903059917
Energy: 1.3578422302358664
Energy: 1.3605219030610456
Energy: 1.5491386412730783
Energy: 1.3605219030610456
Energy: 1.3578057736629026
Energy: 1.3608297881682276
Energy: 1.5490461655374639
Energy: 1.3608297881682276
Energy: 1.3578057736626121
Energy: 1.3608297881685179
Energy: 1.5489306391580469
Energy: 1.3605550420872243
Energy: 1.3578203030269596
Energy: 1.3605550420880628
Energy: 1.5489306391577566
Energy: 1.360555042085225
Energy: 1.3578422302358664
Energy: 1.360521903059627
Energy: 1.5491386412736265
Energy: 1.360521903059917
Energy: 1.3578422302358664
Energy: 1.360521903059627
Energy: 1.549046165536303
Energy: 1.3608297881679696
Energy: 1.3578057736631926
Energy: 1.3608297881676792
Energy: 1.5490461655383025
Energy: 1.3608297881668088
Energy: 1.3578203030266693
Energy: 1.3605550420860635
Energy: 1.6316940764085157
Energy: 1.3605550420874823
Energy: 1.3578203030266693
Energy: 1.3605550420877728
Energy: 1.5491386412750454
Energy: 1.3605219030604652
Energy: 1.3578422302358664
Energy: 1.360521903059917
Energy: 1.5491386412756256
Energy: 1.3605219030601752
Energy: 1.3578057736629026
Energy: 1.3608297881682276
Energy: 1.5490461655403016
Energy: 1.3608297881682276
Energy: 1.3578057736626121
Energy: 1.3608297881682276
Energy: 1.6938398765754037
Energy: 1.3605550420860635
Energy: 1.3578203030266693
Energy: 1.3605550420860635
Energy: 1.6938398765742428
Energy: 1.3605550420860635

minimum gb energy = 1.3578057736626121 eV
minimum distance =  2.2314907305371 Angstroms
sigma value = 3


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

Energy: 1.6644731208373282
Energy: 1.678346137734666
Energy: 1.56067246984975
Energy: 1.678346137734666
Energy: 1.664473120836479
Energy: 1.678346137733817
Energy: 1.552897696625318
Energy: 1.353689518511013
Energy: 1.290745572508209
Energy: 1.3536895185135607
Energy: 1.552897696625318
Energy: 1.3536895184982751
Energy: 1.3287823090696524
Energy: 1.3481672720335478
Energy: 1.594132715989665
Energy: 1.3481672720377553
Energy: 1.3287823090696524
Energy: 1.3481672720377553
Energy: 1.7075968137915496
Energy: 1.6571590724919218
Energy: 1.347196932639184
Energy: 1.6571590724919218
Energy: 1.7075968137898512
Energy: 1.6571590724910727
Energy: 1.334899067094304
Energy: 1.3343293264705007
Energy: 1.6443003201816042
Energy: 1.3343293264713498
Energy: 1.334899067094304
Energy: 1.3343293264713498
Energy: 1.4811881724673917
Energy: 1.3939865897570378
Energy: 1.2900586063107402
Energy: 1.3939865897519428
Energy: 1.4811881724478597
Energy: 1.3939865897519428
Energy: 1.3348666419260875
Energy: 1.3341915265786772
Energy: 1.4748506687111387
Energy: 1.3341915265786772
Energy: 1.3348666419252382
Energy: 1.3341915265769788
Energy: 1.3306859457276234
Energy: 1.726179825343559
Energy: 1.344478510764342
Energy: 1.7261798253410112
Energy: 1.3306859457276234
Energy: 1.7261798253418605
Energy: 1.3297702016071895
Energy: 1.5087632082001419
Energy: 1.610663654842577
Energy: 1.508763208200991
Energy: 1.3297702016080386
Energy: 1.5087632082001419
Energy: 1.3285349957420771
Energy: 1.3516645299071726
Energy: 1.2926960027914896
Energy: 1.351664529908871
Energy: 1.3285349957420771
Energy: 1.351664529906323
Energy: 1.6448812266843607
Energy: 1.5452583063660852
Energy: 1.3616672041466902
Energy: 1.5452583063643868
Energy: 1.64488122668521
Energy: 1.5452583063660852
Energy: 1.647214250122918
Energy: 1.3118761054166324
Energy: 1.2921986011482034
Energy: 1.3118761053996868
Energy: 1.647214250122918
Energy: 1.3118761054013854
Energy: 1.3309602932567763
Energy: 1.4281553533077187
Energy: 1.2921396500920845
Energy: 1.428155353305171
Energy: 1.3309602932567763
Energy: 1.4281553533043219
Energy: 1.3292356299505725
Energy: 1.4013463618450437
Energy: 1.3406350697698552
Energy: 1.401346361850139
Energy: 1.3292356299514214
Energy: 1.4013463618475912
Energy: 1.3319551275565746
Energy: 1.34263462764545
Energy: 1.341002833741612
Energy: 1.342634627646299
Energy: 1.331955127555725
Energy: 1.3426346276496959
Energy: 1.3304887971121817
Energy: 1.3632009109725252
Energy: 1.2941212620301115
Energy: 1.3632009109164778
Energy: 1.33048879711388
Energy: 1.3632009109699774
Energy: 1.3315174126863658
Energy: 1.4805120399435838
Energy: 1.294087160890953
Energy: 1.48051203994783
Energy: 1.3315174126863658
Energy: 1.4805120399452825
Energy: 1.329849163127462
Energy: 1.428207922722838
Energy: 1.3406928944850647
Energy: 1.428207922723687
Energy: 1.329849163127462
Energy: 1.428207922723687
Energy: 1.3290272490931603
Energy: 1.4022390298772773
Energy: 1.341142086639369
Energy: 1.4022390298730312
Energy: 1.329027249091462
Energy: 1.4022390298730312
Energy: 1.3290178831624768
Energy: 1.3440351979851826
Energy: 1.2923716565584529
Energy: 1.3440351979817857
Energy: 1.3290178831616275
Energy: 1.3440351979732936
Energy: 1.6464549620631752
Energy: 1.3167455541043618
Energy: 1.2921773434150636
Energy: 1.3167455541094568
Energy: 1.6464549620648736
Energy: 1.3167455541094568
Energy: 1.6437313417654085
Energy: 1.5498530028707427
Energy: 1.3553381992624818
Energy: 1.549853002876687
Energy: 1.6437313417654085
Energy: 1.5498530028741395
Energy: 1.328504213468634
Energy: 1.3535147781195616
Energy: 1.2927157245859806
Energy: 1.3535147781263555
Energy: 1.3285042134669358
Energy: 1.3535147781322996
Energy: 1.3288315870632048
Energy: 1.51494515653706
Energy: 1.6105820487710252
Energy: 1.5149451565345122
Energy: 1.3288315870623555
Energy: 1.5149451565353618
Energy: 1.3303302081309452
Energy: 1.4292384202428425
Energy: 1.343284946683137
Energy: 1.4292384202377475
Energy: 1.3303302081283974
Energy: 1.4292384202377475
Energy: 1.333527069349646
Energy: 1.5182408658047022
Energy: 1.42463873795336
Energy: 1.5182408643973435
Energy: 1.3335270693487968
Energy: 1.51824086588279
Energy: 1.3314492120089096
Energy: 1.544707464785843
Energy: 1.2911663165418972
Energy: 1.544707464785843
Energy: 1.3314492120089096
Energy: 1.5447074647875416
Energy: 1.3333806680158946
Energy: 1.3938776932727366
Energy: 1.61072232595126
Energy: 1.3938776932718875
Energy: 1.3333806680158946
Energy: 1.3938776932735857
Energy: 1.4313561598721671
Energy: 1.7170849611862975
Energy: 1.3471545986252735
Energy: 1.7170849611820513
Energy: 1.4313561598687705
Energy: 1.7170849611820513
Energy: 1.327474890725139
Energy: 1.3515631803935537
Energy: 1.4674910318935672
Energy: 1.3515631803961015
Energy: 1.327474890725139
Energy: 1.3515631803977997
Energy: 1.553049204031596
Energy: 1.3552931555409529
Energy: 1.2899920791774397
Energy: 1.3552931555468972
Energy: 1.553049204031596
Energy: 1.3552931555341594
Energy: 1.6458276626659876
Energy: 1.7392181379950247
Energy: 1.3586170664670667
Energy: 1.7392181379984217
Energy: 1.6458276626651385
Energy: 1.7392181379984217
Energy: 1.5525981403830573
Energy: 1.3603375839139369
Energy: 1.289001144296562
Energy: 1.3603375839147858
Energy: 1.5525981403822082
Energy: 1.3603375839139369

minimum gb energy = 1.289001144296562 eV
minimum distance =  2.19477630123306 Angstroms
sigma value = 67


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

Energy: 1.3164455749749777
Energy: 1.727493917323892
Energy: 1.6816010820095986
Energy: 1.727493917323892
Energy: 1.3164455749761876
Energy: 1.7274939173226818
Energy: 1.7325067407115078
Energy: 1.2805896961939989
Energy: 1.2681316463991767
Energy: 1.2805896961915786
Energy: 1.7325067407115078
Energy: 1.280589696195209
Energy: 1.270879508252184
Energy: 1.3917410104404078
Energy: 1.4772543198139096
Energy: 1.3917410104210475
Energy: 1.2708795082533941
Energy: 1.391741010453663
Energy: 1.6590417462030616
Energy: 1.6482741544195023
Energy: 1.2730839342751943
Energy: 1.6482741544207125
Energy: 1.6590417462102667
Energy: 1.6482741544207125
Energy: 1.268502953458512
Energy: 1.7510166711159922
Energy: 1.6346636234551173
Energy: 1.7510166711159922
Energy: 1.268502953458512
Energy: 1.7510166711147823
Energy: 1.2667379454372723
Energy: 1.5417542455193913
Energy: 1.2690169048253304
Energy: 1.5417542455181814
Energy: 1.2667379454348522
Energy: 1.5417542455181814
Energy: 1.2699411576069823
Energy: 1.2824720435479249
Energy: 1.2936694488633678
Energy: 1.2824720435479249
Energy: 1.2699411576057726
Energy: 1.282472043549135
Energy: 1.2882652091144815
Energy: 1.525619186106092
Energy: 1.6706463809967196
Energy: 1.5256191861133521
Energy: 1.2882652091156916
Energy: 1.525619186115772
Energy: 1.2905727326822882
Energy: 1.3108364421702716
Energy: 1.6682814092335698
Energy: 1.3108364421678516
Energy: 1.2905727326834984
Energy: 1.3108364421702716
Energy: 1.2916904737374495
Energy: 1.3330758079812453
Energy: 1.2966634436182487
Energy: 1.333075807964305
Energy: 1.2916904737374495
Energy: 1.333075807963095
Energy: 1.2688586233529986
Energy: 1.4329822194441308
Energy: 1.295285764769334
Energy: 1.4329822194453408
Energy: 1.2688586233517885
Energy: 1.4329822194453408
Energy: 1.2706106192591138
Energy: 1.3229727887489333
Energy: 1.2707614686653164
Energy: 1.3229727887489333
Energy: 1.2706106192603237
Energy: 1.3229727887477234
Energy: 1.2961649090309553
Energy: 1.4338585284909415
Energy: 1.2688762506079578
Energy: 1.4338585284897316
Energy: 1.2961649090321654
Energy: 1.4338585284885217
Energy: 1.2966319903994161
Energy: 1.3312452478970045
Energy: 1.2917876211475743
Energy: 1.3312452478800643
Energy: 1.2966319903982062
Energy: 1.3312452478982146
Energy: 1.6688774206785433
Energy: 1.3108125662530712
Energy: 1.2906166213982815
Energy: 1.3108125662530712
Energy: 1.6688774206773334
Energy: 1.3108125662554915
Energy: 1.6719903498537798
Energy: 1.5265627067360594
Energy: 1.2885205006630618
Energy: 1.5265627067360594
Energy: 1.6719903498525697
Energy: 1.5265627067372696
Energy: 1.293739524232899
Energy: 1.2819659552620166
Energy: 1.2901438622271861
Energy: 1.2819659552608065
Energy: 1.293739524232899
Energy: 1.2819659552620166
Energy: 1.269076641454266
Energy: 1.5414682427045308
Energy: 1.266789884534134
Energy: 1.541468242705741
Energy: 1.269076641454266
Energy: 1.541468242705741
Energy: 1.6334028149030322
Energy: 1.7491087054197303
Energy: 1.2684645119688527
Energy: 1.7491087054197303
Energy: 1.633402814904242
Energy: 1.7491087054197303
Energy: 1.2730852727029023
Energy: 1.659359661549691
Energy: 1.6586204898164858
Energy: 1.659359661542431
Energy: 1.2730852727016924
Energy: 1.6593596615436412
Energy: 1.4934093688822407
Energy: 1.3917410103968473
Energy: 1.2895278679905582
Energy: 1.3917410104524526
Energy: 1.4934093688265802
Energy: 1.3917410104283074
Energy: 1.2681500692578747
Energy: 1.2823815115153274
Energy: 1.7324315599664144
Energy: 1.2823815115129074
Energy: 1.2681500692566647
Energy: 1.2823815115153274
Energy: 1.5362992748001438
Energy: 1.7274939173214718
Energy: 1.3164455749749777
Energy: 1.7274939173226818
Energy: 1.536299274808614
Energy: 1.7274939173226818

minimum gb energy = 1.2667379454348522 eV
minimum distance =  2.18848217150795 Angstroms
sigma value = 33


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

Energy: 1.5278375925520327
Energy: 1.7745262445107288
Energy: 1.7396310043877914
Energy: 1.7745262445068906
Energy: 1.5278375925535679
Energy: 1.7745262445068906
Energy: 1.7096847768744847
Energy: 1.5162859672708238
Energy: 1.2293366786315705
Energy: 1.5162859672700562
Energy: 1.7096847769043866
Energy: 1.5162859672692885
Energy: 1.226322511669353
Energy: 1.3080763570523162
Energy: 1.5720367220030709
Energy: 1.3080763570515486
Energy: 1.226322511669353
Energy: 1.3080763570515486
Energy: 1.296864141217886
Energy: 1.3460082444492045
Energy: 1.2365579559139823
Energy: 1.3460081892579303
Energy: 1.2968641412209567
Energy: 1.3460079346768434
Energy: 1.4469921737578872
Energy: 1.5959122460158206
Energy: 1.4355470586064036
Energy: 1.5959122460196586
Energy: 1.4469921737594227
Energy: 1.5959122460181234
Energy: 1.4484759192419392
Energy: 1.4067186284754947
Energy: 1.2304568206570639
Energy: 1.4344478015529627
Energy: 1.448475919240404
Energy: 1.406718628474727
Energy: 1.2226131609844675
Energy: 1.2437117614252782
Energy: 1.240031141145058
Energy: 1.2437117614237427
Energy: 1.2226131609844675
Energy: 1.2437117614237427
Energy: 1.2446407374198558
Energy: 1.2198821148115688
Energy: 1.4485528394819764
Energy: 1.2198821147394483
Energy: 1.2446407374206234
Energy: 1.2198821147977519
Energy: 1.4320496855620426
Energy: 1.4197895167889203
Energy: 1.4458574086366625
Energy: 1.4197895167858499
Energy: 1.4320496855612752
Energy: 1.4197895167866175
Energy: 1.233832698316835
Energy: 1.2383296704615063
Energy: 1.2202084214273834
Energy: 1.407464759320708
Energy: 1.233832698317603
Energy: 1.2383296704001325
Energy: 1.2171909496731192
Energy: 1.4215248981438304
Energy: 1.2458114593906784
Energy: 1.4215248981430628
Energy: 1.2171909496723519
Energy: 1.4215248981438304
Energy: 1.2207037269557393
Energy: 1.2832061330019109
Energy: 1.7066974238437225
Energy: 1.2832061330011433
Energy: 1.2207037269557393
Energy: 1.2832061330011433
Energy: 1.4619212892009725
Energy: 1.5433498858472257
Energy: 1.5140767224298937
Energy: 1.5433498858472257
Energy: 1.4619212892009725
Energy: 1.5433498858472257
Energy: 1.2293439334478284
Energy: 1.4157672434727706
Energy: 1.2257608280804446
Energy: 1.4157672434720028
Energy: 1.2293439334478284
Energy: 1.4157672434720028
Energy: 1.4353174680494922
Energy: 1.3055878791868418
Energy: 1.2202966040347603
Energy: 1.3055878792014264
Energy: 1.4353174680487246
Energy: 1.3055878791991238
Energy: 1.23656032128024
Energy: 1.4647143240154445
Energy: 1.630676347379783
Energy: 1.464714324010071
Energy: 1.23656032128024
Energy: 1.464714324006233
Energy: 1.7026021410582086
Energy: 1.769313378671005
Energy: 1.4927146520710075
Energy: 1.7693133786679343
Energy: 1.702602141058976
Energy: 1.7693133786687019
Energy: 1.2193529654231552
Energy: 1.2447279118255814
Energy: 1.5793296952348983
Energy: 1.2447279118255814
Energy: 1.2193529654231552
Energy: 1.2447279118240464
Energy: 1.4666473959578477
Energy: 1.242372115407549
Energy: 1.2227490231778255
Energy: 1.2423721154113871
Energy: 1.4666473959586153
Energy: 1.2423721154121548
Energy: 1.4825658563133286
Energy: 1.5292133798010146
Energy: 1.2418800375536772
Energy: 1.5292133798002467
Energy: 1.4825658563133286
Energy: 1.5292133798010146
Energy: 1.6912200364293373
Energy: 1.3898506184449169
Energy: 1.232270201788356
Energy: 1.389850618605278
Energy: 1.691220036430105
Energy: 1.389850618385078
Energy: 1.2266427855862625
Energy: 1.4267467860791143
Energy: 1.4344413133472025
Energy: 1.4267467860798817
Energy: 1.2266427855854949
Energy: 1.4267467860791143
Energy: 1.243226630566501
Energy: 1.422888074829041
Energy: 1.2228916425183245
Energy: 1.4228880748298085
Energy: 1.2432266305657333
Energy: 1.422888074830576
Energy: 1.5007669396972994
Energy: 1.55915740805063
Energy: 1.2176062666973122
Energy: 1.55915740805063
Energy: 1.5007669396988343
Energy: 1.5675751551086525
Energy: 1.705951802252727
Energy: 1.2851801628255035
Energy: 1.2177761800173124
Energy: 1.2851801628278063
Energy: 1.7059518022534945
Energy: 1.285180162828574
Energy: 1.2631505456792211
Energy: 1.4284644968974676
Energy: 1.2203031183768411
Energy: 1.4284644968967
Energy: 1.2631505456792211
Energy: 1.4284644968967
Energy: 1.2207222731774723
Energy: 1.4335662117144456
Energy: 1.431083884441778
Energy: 1.4335662117144456
Energy: 1.2207222731774723
Energy: 1.4335662117121428
Energy: 1.448586694736732
Energy: 1.4114288366190924
Energy: 1.235981937489297
Energy: 1.4114288366206276
Energy: 1.448586694736732
Energy: 1.41142883661986
Energy: 1.4478854785200066
Energy: 1.2195970953581414
Energy: 1.2428985201771983
Energy: 1.219597095358909
Energy: 1.4478854785223094
Energy: 1.219597095358909
Energy: 1.2445471331461864
Energy: 1.2450947787394557
Energy: 1.2241131662284856
Energy: 1.245094778740991
Energy: 1.2445471331438838
Energy: 1.2450947787379207
Energy: 1.2226702604409712
Energy: 1.4072133444241544
Energy: 1.68739982896348
Energy: 1.4072133444241544
Energy: 1.2226702604409712
Energy: 1.4072133444241544
Energy: 1.4687788311134724
Energy: 1.7662788697331133
Energy: 1.4596489958994716
Energy: 1.766278869732346
Energy: 1.4687788311134724
Energy: 1.7662788697315783
Energy: 1.2350764904373788
Energy: 1.469410772045744
Energy: 1.530688806318042
Energy: 1.4694107720465117
Energy: 1.2350764904373788
Energy: 1.4694107720480472
Energy: 1.6165932639473894
Energy: 1.3056403001381829
Energy: 1.22697718542842
Energy: 1.3056403001404857
Energy: 1.6165932638821774
Energy: 1.3056403001404857
Energy: 1.2260366440760904
Energy: 1.4883932267653757
Energy: 1.569405329150979
Energy: 1.488393226766911
Energy: 1.226036644076858
Energy: 1.488393226764608
Energy: 1.4546581168760007
Energy: 1.5435178162407353
Energy: 1.5337798343584144
Energy: 1.5435178162399676
Energy: 1.4546581168522394
Energy: 1.543517816229221
Energy: 1.2227567734128784
Energy: 1.6191178164491775
Energy: 1.7058265888835544
Energy: 1.6191178164491775
Energy: 1.2227567734128784
Energy: 1.6191178164453393

minimum gb energy = 1.2171909496723519 eV
minimum distance =  2.18769722132506 Angstroms
sigma value = 41


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

Energy: 1.0843926086491087
Energy: 1.0549007448340888
Energy: 1.7534649253159937
Energy: 1.0549007448340888
Energy: 1.0843926086491087
Energy: 1.0549007448340888
Energy: 1.6146951996115118
Energy: 1.0582239315041873
Energy: 1.0515731986366417
Energy: 1.0582239315020914
Energy: 1.6146951996115118
Energy: 1.0582239315020914
Energy: 1.085097142841326
Energy: 1.2338518622327594
Energy: 1.053293089430939
Energy: 1.2338518622327594
Energy: 1.085097142841326
Energy: 1.2338518622327594
Energy: 1.6475575519662102
Energy: 1.0570569108956036
Energy: 1.0515940121892464
Energy: 1.0570569108976993
Energy: 1.6475575519683059
Energy: 1.0570569108976993
Energy: 1.0822758658505862
Energy: 1.441836676307789
Energy: 1.0539716839850057
Energy: 1.4418366763056931
Energy: 1.082275865854778
Energy: 1.4418366763056931
Energy: 1.0802554078195272
Energy: 1.0889146137398071
Energy: 1.0515031003763209
Energy: 1.0889146137398071
Energy: 1.0802554846680563
Energy: 1.0889146137398071
Energy: 1.6441774975028782
Energy: 1.0584158683855305
Energy: 1.0556076260220877
Energy: 1.0584158683813387
Energy: 1.6441774975028782
Energy: 1.0584158683813387
Energy: 1.086545219817951
Energy: 1.055485786944417
Energy: 1.0522955237285139
Energy: 1.0554857869381296
Energy: 1.086545219820047
Energy: 1.0554857869381296
Energy: 1.5862648668762156
Energy: 1.0926623089963794
Energy: 1.0571442415083963
Energy: 1.092662308998475
Energy: 1.58626486687412
Energy: 1.092662308998475
Energy: 1.0867990709118711
Energy: 1.4398208612915335
Energy: 1.0565440180747578
Energy: 1.4398208612935817
Energy: 1.0867990709076794
Energy: 1.4398208612935817
Energy: 1.6024675443842946
Energy: 1.0553203461660772
Energy: 1.0586805419730312
Energy: 1.055320346170269
Energy: 1.6024675443842946
Energy: 1.055320346170269
Energy: 1.0963323787656802
Energy: 1.2293159787595143
Energy: 1.6505466382783287
Energy: 1.2293159787595143
Energy: 1.0963323787656802
Energy: 1.2293159787595143
Energy: 1.602487580221374
Energy: 1.0552694935774865
Energy: 1.0587035925339934
Energy: 1.0552694935753908
Energy: 1.6024875802234697
Energy: 1.055269493573295
Energy: 1.0867782897419072
Energy: 1.4402126300776656
Energy: 1.056593862452439
Energy: 1.4402126300776656
Energy: 1.0867782897377154
Energy: 1.4402126300734739

minimum gb energy = 1.0515031003763209 eV
minimum distance =  2.2152722673287 Angstroms
sigma value = 11


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

Energy: 1.5827394099360712
Energy: 1.2711812475858728
Energy: 1.712077475473923
Energy: 1.2711812475849522
Energy: 1.5827394099369916
Energy: 1.2711812475849522
Energy: 1.5332833841652853
Energy: 1.5754771181712797
Energy: 1.254108840737738
Energy: 1.5754771181731209
Energy: 1.5332833841652853
Energy: 1.5754771181731209
Energy: 1.256154668865819
Energy: 1.3735436272638069
Energy: 1.2583032601370692
Energy: 1.3735436272647275
Energy: 1.256154668865819
Energy: 1.3735436272647275
Energy: 1.2743045127063775
Energy: 1.2778928596326382
Energy: 1.2565610175483528
Energy: 1.2778928596326382
Energy: 1.2743045127072983
Energy: 1.2778928596335588
Energy: 1.4882320451398678
Energy: 1.4511093616170692
Energy: 1.273112130560319
Energy: 1.4511093616170692
Energy: 1.4882320451398678
Energy: 1.4511093616170692
Energy: 1.2914013667342865
Energy: 1.4789239725433656
Energy: 1.4731402350961564
Energy: 1.4789239725452068
Energy: 1.2914013667342865
Energy: 1.4789239725452068
Energy: 1.277600761057605
Energy: 1.5242943624372765
Energy: 1.312524328034563
Energy: 1.5242943624390968
Energy: 1.2776007610566844
Energy: 1.5242943624390968
Energy: 1.2563300650759441
Energy: 1.2816512937111852
Energy: 1.397810563446756
Energy: 1.2816512937111852
Energy: 1.2563300650750235
Energy: 1.2816512937102649
Energy: 1.542886668017378
Energy: 1.3366880540903021
Energy: 1.2573633024121864
Energy: 1.3366880540893815
Energy: 1.5428866680164575
Energy: 1.3366880540912227
Energy: 1.2579857378561021
Energy: 1.4574575810844723
Energy: 1.3536913286749095
Energy: 1.4574575810835517
Energy: 1.2579857378533401
Energy: 1.4574575810835517
Energy: 1.4844425155436314
Energy: 1.5962175619053476
Energy: 1.543164464718304
Energy: 1.5962175619044268
Energy: 1.4844425155427106
Energy: 1.5962175619062684
Energy: 1.2562243735975136
Energy: 1.482982220370444
Energy: 1.4800499079185496
Energy: 1.4829822203713645
Energy: 1.2562243735975136
Energy: 1.482982220372285
Energy: 1.2558999128556194
Energy: 1.3713959667215545
Energy: 1.372309473253127
Energy: 1.3713959667215545
Energy: 1.2558999128556194
Energy: 1.3713959667206337
Energy: 1.2723393750140366
Energy: 1.342120123671695
Energy: 1.2720735129443161
Energy: 1.3421201236726155
Energy: 1.2723393750140366
Energy: 1.3421201236726155
Energy: 1.2546238458609413
Energy: 1.5208657294916308
Energy: 1.473016035995277
Energy: 1.5208657294916308
Energy: 1.2546238458618622
Energy: 1.5208657294907104
Energy: 1.6090632856377394
Energy: 1.5514050656616531
Energy: 1.2920632992296197
Energy: 1.5514050656616531
Energy: 1.6090632856386602
Energy: 1.5514050656616531
Energy: 1.3124444728648672
Energy: 1.5245688304805636
Energy: 1.438347958876851
Energy: 1.524568830482405
Energy: 1.3124444728648672
Energy: 1.524568830479643
Energy: 1.4730869631142864
Energy: 1.5206942225961455
Energy: 1.2562004292198157
Energy: 1.5206942225961455
Energy: 1.4730869631142864
Energy: 1.5206942225970663
Energy: 1.2719318331739908
Energy: 1.3717000041355507
Energy: 1.2699377790455377
Energy: 1.3717000041300267
Energy: 1.27193183317307
Energy: 1.3717000041300267
Energy: 1.2590848566382637
Energy: 1.3725033488006884
Energy: 1.2544505380064017
Energy: 1.372503348801609
Energy: 1.2590848566391843
Energy: 1.372503348801609
Energy: 1.4704799872888303
Energy: 1.3979067330513515
Energy: 1.2548559150168963
Energy: 1.3979067330476687
Energy: 1.4704799872888303
Energy: 1.3979067330476687
Energy: 1.5369262614109844
Energy: 1.597257243742755
Energy: 1.4824503254379497
Energy: 1.5972572437455173
Energy: 1.5369262614109844
Energy: 1.597257243746438
Energy: 1.2700699405455034
Energy: 1.457451864175255
Energy: 1.2788236515156024
Energy: 1.457451864175255
Energy: 1.2700699405390585
Energy: 1.457451864178017
Energy: 1.2564779203251266
Energy: 1.3421347474302898
Energy: 1.5438318349667406
Energy: 1.3421347474302898
Energy: 1.2564779203260474
Energy: 1.342134747429369
Energy: 1.2553860944471047
Energy: 1.2806187281926715
Energy: 1.2556508385283343
Energy: 1.2806187281926715
Energy: 1.2553860944590738
Energy: 1.2806187281926715
Energy: 1.2912903059411738
Energy: 1.4385186353349895
Energy: 1.2767289685630152
Energy: 1.4385186353359103
Energy: 1.2912903059411738
Energy: 1.4385186353368309
Energy: 1.4736112695224939
Energy: 1.4817974288569975
Energy: 1.4877283026978982
Energy: 1.48179742886068
Energy: 1.4736112695224939
Energy: 1.481797428858839
Energy: 1.2712830473876058
Energy: 1.4404960985881972
Energy: 1.291560037001239
Energy: 1.4404960985872761
Energy: 1.2712830473866852
Energy: 1.4404960985891175
Energy: 1.2590997002552935
Energy: 1.2791147863111416
Energy: 1.2744562146172589
Energy: 1.2791147863111416
Energy: 1.2590997002552935
Energy: 1.2791147863129828
Energy: 1.2600080883895908
Energy: 1.3735319390333611
Energy: 1.2569208952005075
Energy: 1.3735319390333611
Energy: 1.2600080883923526
Energy: 1.3735319390333611
Energy: 1.2585020248578305
Energy: 1.5747646087118996
Energy: 1.6154536303461131
Energy: 1.574764608710979
Energy: 1.2585020248569097
Energy: 1.5747646087118996

minimum gb energy = 1.254108840737738 eV
minimum distance =  2.1908011310106 Angstroms
sigma value = 57


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

Energy: 1.366401519674195
Energy: 1.3548473293232344
Energy: 1.4580989304266434
Energy: 1.3548473293215961
Energy: 1.366401519674195
Energy: 1.3548473293215961
Energy: 1.3228878323402606
Energy: 1.3345532871758794
Energy: 1.311123236583076
Energy: 1.359741573137004
Energy: 1.3228878323402606
Energy: 1.3345532871758794
Energy: 1.31826389582259
Energy: 1.3603505556167084
Energy: 1.3116411164772308
Energy: 1.3603505556167084
Energy: 1.3182638958160366
Energy: 1.3603505556167084
Energy: 1.3122944174480762
Energy: 1.4596311374076252
Energy: 1.3125756697223625
Energy: 1.4590403545291704
Energy: 1.3122944174497146
Energy: 1.3833577479264665
Energy: 1.3116065629877622
Energy: 1.3602833915776216
Energy: 1.3125135833506851
Energy: 1.3602833915776216
Energy: 1.3116065629861238
Energy: 1.3602833915776216
Energy: 1.3174162151840618
Energy: 1.3346550624182076
Energy: 1.3225722914520823
Energy: 1.3346550624182076
Energy: 1.3174162151840618
Energy: 1.3346550624182076
Energy: 1.4580989304282819
Energy: 1.3548473293232344
Energy: 1.366401519674195
Energy: 1.3548473293248728
Energy: 1.4580989304282819
Energy: 1.3548473293248728
Energy: 1.3111232365798366
Energy: 1.4487748081446439
Energy: 1.3228878323353455
Energy: 1.4487748081430054
Energy: 1.3111232365814751
Energy: 1.4487748081413672
Energy: 1.3116411164755923
Energy: 1.3603505556167084
Energy: 1.318263895817675
Energy: 1.3603505556167084
Energy: 1.3116411164755923
Energy: 1.3603505556167084
Energy: 1.3125756697223625
Energy: 1.460282743665344
Energy: 1.3122944174480762
Energy: 1.3833577448117023
Energy: 1.3125756697207243
Energy: 1.470120499022643
Energy: 1.3125135833506851
Energy: 1.360283391575983
Energy: 1.3116065629894005
Energy: 1.360283391575983
Energy: 1.3125135833523236
Energy: 1.360283391575983
Energy: 1.3225722914520823
Energy: 1.3346550624165692
Energy: 1.3174162151840618
Energy: 1.3346550624165692
Energy: 1.3225722914504439
Energy: 1.3346550624165692
Energy: 1.366401519674195
Energy: 1.3548473293232344
Energy: 1.6125843378136977
Energy: 1.3548473293232344
Energy: 1.3664015196758335
Energy: 1.3548473293232344
Energy: 1.3228878323386222
Energy: 1.3345532871758794
Energy: 1.3111232365798366
Energy: 1.334553287177518
Energy: 1.3228878323386222
Energy: 1.334553287177518
Energy: 1.3182638958160366
Energy: 1.36035055561507
Energy: 1.3116411164772308
Energy: 1.3603505556167084
Energy: 1.3182638958160366
Energy: 1.3603505556167084
Energy: 1.3122944174497146
Energy: 1.3833577416330418
Energy: 1.3125756697223625
Energy: 1.4596310143535443
Energy: 1.3122944174497146
Energy: 1.3833577412973246
Energy: 1.3116065629861238
Energy: 1.3602833915792598
Energy: 1.3125135833506851
Energy: 1.3602833915776216
Energy: 1.3116065629877622
Energy: 1.3602833915776216

minimum gb energy = 1.3111232365798366 eV
minimum distance =  2.22279456430324 Angstroms
sigma value = 9


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

Energy: 1.463274957839049
Energy: 1.4304380230255183
Energy: 1.5664789297387682
Energy: 1.4304380230228426
Energy: 1.4632749578403867
Energy: 1.4304380230228426
Energy: 1.3712686860830818
Energy: 1.4373469840528226
Energy: 1.345252175276596
Energy: 1.4373469840541606
Energy: 1.3712686860830818
Energy: 1.4373469840528226
Energy: 1.3493778424431027
Energy: 1.4077121743503087
Energy: 1.3468810221565641
Energy: 1.4077121743503087
Energy: 1.3493778424444407
Energy: 1.4077121743503087
Energy: 1.3494370349997291
Energy: 1.337735165346614
Energy: 1.3766532053624363
Energy: 1.337735165347952
Energy: 1.3494370349997291
Energy: 1.337735165347952
Energy: 1.3704612084640826
Energy: 1.4318153651355414
Energy: 1.3479566539883185
Energy: 1.4318153651395542
Energy: 1.3704612084654204
Energy: 1.4318153651395542
Energy: 1.3488431360804831
Energy: 1.3644109504845836
Energy: 1.5650089025138954
Energy: 1.3644109504859214
Energy: 1.3488431360791457
Energy: 1.3644109504859214
Energy: 1.3517991205832283
Energy: 1.4085941863622884
Energy: 1.3485471447666024
Energy: 1.4085941863609508
Energy: 1.3517991205832283
Energy: 1.4085941863609508
Energy: 1.3979472414964664
Energy: 1.4768060183865985
Energy: 1.3455857016884387
Energy: 1.4768060183852607
Energy: 1.3979472414964664
Energy: 1.4768060183865985
Energy: 1.397680758121846
Energy: 1.405011641937583
Energy: 1.3532374891180259
Energy: 1.405011641940259
Energy: 1.397680758121846
Energy: 1.4050116419389211
Energy: 1.3510505480273316
Energy: 1.4472428390967513
Energy: 1.3632452163198268
Energy: 1.4472428391021022
Energy: 1.3510505480260242
Energy: 1.4472428391021022
Energy: 1.3516495469145833
Energy: 1.351680937229907
Energy: 1.3849533516477126
Energy: 1.35168093723392
Energy: 1.3516495469145833
Energy: 1.35168093723392
Energy: 1.3484799785855035
Energy: 1.408128537060039
Energy: 1.4104252592467315
Energy: 1.408128537054688
Energy: 1.3484799785855035
Energy: 1.408128537054688
Energy: 1.3508117784433828
Energy: 1.4097070608234572
Energy: 1.4008435681897418
Energy: 1.409707060828808
Energy: 1.3508117784433828
Energy: 1.4097070608301459
Energy: 1.3484240609181852
Energy: 1.3772839650122486
Energy: 1.3512291475301805
Energy: 1.3772839650095732
Energy: 1.3484240609181852
Energy: 1.3772839650095732
Energy: 1.5376068839539188
Energy: 1.4467854158881357
Energy: 1.360927129455406
Energy: 1.4467854158894735
Energy: 1.5376068839525812
Energy: 1.4467854158894735
Energy: 1.3975638929356375
Energy: 1.4050332135507724
Energy: 1.3849553703707995
Energy: 1.40503321355211
Energy: 1.3975638929316243
Energy: 1.4050332135507724
Energy: 1.4034991128150318
Energy: 1.4046607524738475
Energy: 1.3691182709079845
Energy: 1.404660752471172
Energy: 1.4034991128150318
Energy: 1.4046607524698342
Energy: 1.4383134884669277
Energy: 1.4453127219498267
Energy: 1.3628352443251706
Energy: 1.4453127219471515
Energy: 1.43831348846559
Energy: 1.4453127219484891
Energy: 1.3512026099694956
Energy: 1.3395088983728591
Energy: 1.5713447702231207
Energy: 1.3395088983728591
Energy: 1.35120260996682
Energy: 1.3395088983728591
Energy: 1.3493503339593051
Energy: 1.4305131413704815
Energy: 1.34687132999813
Energy: 1.4305131413678365
Energy: 1.3493503339579673
Energy: 1.4305131413678365
Energy: 1.3511703083033142
Energy: 1.338867258526482
Energy: 1.3806898774166725
Energy: 1.338867258530495
Energy: 1.3511703083033142
Energy: 1.3388672585278196

minimum gb energy = 1.337735165346614 eV
minimum distance =  2.22364488897158 Angstroms
sigma value = 27


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

Energy: 1.5112908803934209
Energy: 1.573551692635774
Energy: 1.5355930238521005
Energy: 1.5735516926369018
Energy: 1.5112908803934209
Energy: 1.5735516926380293
Energy: 1.4211239636046533
Energy: 1.429921129734035
Energy: 1.379140010036104
Energy: 1.4299211297317798
Energy: 1.4211239636057809
Energy: 1.4299211297317798
Energy: 1.3451985514278944
Energy: 1.4681297205097856
Energy: 1.378952785634131
Energy: 1.4681297204500483
Energy: 1.345198551429022
Energy: 1.4681297243971727
Energy: 1.3780425330034733
Energy: 1.3884364763297314
Energy: 1.4092945432357413
Energy: 1.3884364763308592
Energy: 1.3780425330023456
Energy: 1.3884364763319867
Energy: 1.3178970284434586
Energy: 1.4136371883880587
Energy: 1.34343975643841
Energy: 1.4136371883993348
Energy: 1.3178970284434586
Energy: 1.4136371883486183
Energy: 1.3710168326464176
Energy: 1.3592857236959355
Energy: 1.3584286414032352
Energy: 1.3592857236959355
Energy: 1.3710168326464176
Energy: 1.3592857236981908
Energy: 1.3520824158046933
Energy: 1.3754034908018673
Energy: 1.365508204525958
Energy: 1.3754034907996378
Energy: 1.3520824158046933
Energy: 1.3754034907996378
Energy: 1.3488303842631497
Energy: 1.4105122108467691
Energy: 1.3660595268538267
Energy: 1.4105122108456416
Energy: 1.3488303842620222
Energy: 1.4105122108456416
Energy: 1.442532808163849
Energy: 1.3966405955375036
Energy: 1.5539691793655577
Energy: 1.396640595539759
Energy: 1.4425328081627218
Energy: 1.396640595539759
Energy: 1.363915573949608
Energy: 1.4809446616847421
Energy: 1.398637675983121
Energy: 1.480944661673466
Energy: 1.363915573949608
Energy: 1.4809446616858695
Energy: 1.3490556474216326
Energy: 1.441433839296116
Energy: 1.3985566090927
Energy: 1.4414338392949884
Energy: 1.3490556474216326
Energy: 1.4414338392949884
Energy: 1.4424773324160598
Energy: 1.396407324633852
Energy: 1.3564727369149439
Energy: 1.3964073246349795
Energy: 1.442477332417187
Energy: 1.3964073246349795
Energy: 1.3643780991074912
Energy: 1.4849722042361302
Energy: 1.3655144414427731
Energy: 1.4849722042372575
Energy: 1.3643780991063637
Energy: 1.4849722042372575
Energy: 1.3494358678781315
Energy: 1.4280842828566667
Energy: 1.366144325271636
Energy: 1.428084282855539
Energy: 1.349435867879259
Energy: 1.4280842828566667
Energy: 1.3775468871810603
Energy: 1.3602072806772088
Energy: 1.3584211968262134
Energy: 1.3602072806794638
Energy: 1.3775468871810603
Energy: 1.3602072806794638
Energy: 1.3177143377301557
Energy: 1.41363718840159
Energy: 1.342969257101574
Energy: 1.4136371884297803
Energy: 1.3177143377301557
Energy: 1.4136371883948244
Energy: 1.3779614373414824
Energy: 1.388534894766951
Energy: 1.332538096229641
Energy: 1.3885348947680787
Energy: 1.3779614373403548
Energy: 1.3885348947680787
Energy: 1.344891050968394
Energy: 1.4596744793925214
Energy: 1.3791395163583111
Energy: 1.459674479393649
Energy: 1.3448910509695213
Energy: 1.4596744793925214
Energy: 1.385044269936157
Energy: 1.55574538190757
Energy: 1.3791831831301233
Energy: 1.555745381913208
Energy: 1.385044269936157
Energy: 1.5557453819143359
Energy: 1.5112908803934209
Energy: 1.5735516926369018
Energy: 1.535068884358398
Energy: 1.5735516926380293
Energy: 1.5112908803934209
Energy: 1.5735516926380293
Energy: 1.4211239636023982
Energy: 1.4299211297317798
Energy: 1.3791400100349767
Energy: 1.4299211297329075
Energy: 1.4211239636023982
Energy: 1.4299211297329075
Energy: 1.3451985514278944
Energy: 1.46812972239091
Energy: 1.3789527856330033
Energy: 1.4681297213742728
Energy: 1.345198551429022
Energy: 1.4681297216188605
Energy: 1.3780425330034733
Energy: 1.388436476328604
Energy: 1.4092945432368433
Energy: 1.3884364763319867
Energy: 1.3780425330034733
Energy: 1.3884364763308592
Energy: 1.3178970284412033
Energy: 1.4136371883914416
Energy: 1.3434397564406648
Energy: 1.4136371883542564
Energy: 1.317897028442331
Energy: 1.4136371883914416
Energy: 1.3710168326441623
Energy: 1.3592857236981908
Energy: 1.3584286414009799
Energy: 1.3592857236981908
Energy: 1.3710168326464176
Energy: 1.3592857236992926

minimum gb energy = 1.3177143377301557 eV
minimum distance =  2.22473767802328 Angstroms
sigma value = 19


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

Energy: 1.530533656412102
Energy: 1.30998747790208
Energy: 1.4799935849008388
Energy: 1.3099874779040266
Energy: 1.530533656412102
Energy: 1.3099874779040266
Energy: 1.375378563325349
Energy: 1.3989472507655223
Energy: 1.2730263079166269
Energy: 1.3989472507626022
Energy: 1.3753785633263222
Energy: 1.3989472507626022
Energy: 1.2749783097208374
Energy: 1.3947887641972605
Energy: 1.2732106139064077
Energy: 1.3947887641982337
Energy: 1.2749783097208374
Energy: 1.3947887641982337
Energy: 1.364436078950678
Energy: 1.4120372376772279
Energy: 1.3344960792766563
Energy: 1.4120372376772279
Energy: 1.3644360789497048
Energy: 1.4120372376782013
Energy: 1.3023046841585144
Energy: 1.318281478916606
Energy: 1.3059256067640832
Energy: 1.318281478916606
Energy: 1.3023046841585144
Energy: 1.318281478916606
Energy: 1.2918061682100264
Energy: 1.3679129409694977
Energy: 1.3068559311581027
Energy: 1.3679129409685244
Energy: 1.2918061682100264
Energy: 1.3679129409685244
Energy: 1.2937127343635895
Energy: 1.3602699385335326
Energy: 1.2912487938105535
Energy: 1.3602699385354793
Energy: 1.2937127343635895
Energy: 1.3602699385354793
Energy: 1.2740210515793522
Energy: 1.3205686150000715
Energy: 1.3066460388790733
Energy: 1.320568614998125
Energy: 1.2740210515793522
Energy: 1.3205686149990983
Energy: 1.3135070485788243
Energy: 1.372707596090522
Energy: 1.3309162499344545
Energy: 1.3727075960866284
Energy: 1.3135070485788243
Energy: 1.3727075960866284
Energy: 1.3017563108306391
Energy: 1.480656764808386
Energy: 1.2730136826753682
Energy: 1.4806567648103326
Energy: 1.3017563108306391
Energy: 1.4806567648103326
Energy: 1.2741688808519491
Energy: 1.4096410348315336
Energy: 1.2892919236850577
Energy: 1.4096410348315336
Energy: 1.2741688808519491
Energy: 1.4096410348315336
Energy: 1.2992110759272897
Energy: 1.4554296113420313
Energy: 1.3195866546921282
Energy: 1.4554296113429823
Energy: 1.2992110759272897
Energy: 1.4554296113429823
Energy: 1.2989517688951995
Energy: 1.4369306764472134
Energy: 1.3169910601517876
Energy: 1.4369306764501335
Energy: 1.2989517688951995
Energy: 1.4369306764481868
Energy: 1.2758411177663544
Energy: 1.4105193814507881
Energy: 1.419264724690777
Energy: 1.4105193814517614
Energy: 1.2758411177673277
Energy: 1.4105193814507881
Energy: 1.3129401978516735
Energy: 1.4372639699903997
Energy: 1.3196336975058682
Energy: 1.4372639699933198
Energy: 1.3129401978526245
Energy: 1.4372639699933198
Energy: 1.3137605156618581
Energy: 1.3172841026630255
Energy: 1.2584210176958888
Energy: 1.3172841026649724
Energy: 1.3137605156618581
Energy: 1.3172841026649724
Energy: 1.2752680411642088
Energy: 1.3202214394350698
Energy: 1.2910492694402955
Energy: 1.3202214394370162
Energy: 1.2752680411632353
Energy: 1.3202214394360432
Energy: 1.2918132692904767
Energy: 1.4339390457444694
Energy: 1.2565040669401224
Energy: 1.4339390457454424
Energy: 1.2918132692904767
Energy: 1.4339390457454424
Energy: 1.2753562936519633
Energy: 1.3201570160289087
Energy: 1.290953772486368
Energy: 1.3201570160289087
Energy: 1.27535629365391
Energy: 1.3201570160279352
Energy: 1.313819655693319
Energy: 1.3708876729389736
Energy: 1.2882978055736534
Energy: 1.3708876729360535
Energy: 1.313819655693319
Energy: 1.3708876729360535
Energy: 1.3127656769486244
Energy: 1.4127565948640477
Energy: 1.2730818195900926
Energy: 1.4127565948630743
Energy: 1.3127656769486244
Energy: 1.4127565948640477
Energy: 1.2761703506472422
Energy: 1.3773458193512136
Energy: 1.420349533768787
Energy: 1.377345819349267
Energy: 1.2761703506472422
Energy: 1.377345819349267
Energy: 1.3705786536487083
Energy: 1.4595102221111385
Energy: 1.2729607305114314
Energy: 1.4595102221091916
Energy: 1.3705786536487083
Energy: 1.459510222110165
Energy: 1.328475992015969
Energy: 1.389737069256156
Energy: 1.27312723938013
Energy: 1.3897370695207927
Energy: 1.328475992015969
Energy: 1.3897370694244768
Energy: 1.3836690643329788
Energy: 1.4103395440476043
Energy: 1.3165897568985845
Energy: 1.4103395440476043
Energy: 1.3836690643329788
Energy: 1.4103395440476043
Energy: 1.3133707920651676
Energy: 1.4847385673813225
Energy: 1.2727434048495647
Energy: 1.4847385673832691
Energy: 1.3133707920651676
Energy: 1.4847385673832691
Energy: 1.3135696585375827
Energy: 1.386148246064559
Energy: 1.2947033925669589
Energy: 1.3861482460616392
Energy: 1.3135696585375827
Energy: 1.3861482460616392
Energy: 1.2849709795523387
Energy: 1.3207764105336057
Energy: 1.3076494221907222
Energy: 1.320776410534579
Energy: 1.2849709795523387
Energy: 1.320776410534579
Energy: 1.2936355138039621
Energy: 1.353731729342337
Energy: 1.2836876358430938
Energy: 1.3537317293413638
Energy: 1.2936355138039621
Energy: 1.3537317293403908

minimum gb energy = 1.2565040669401224 eV
minimum distance =  2.21706701648545 Angstroms
sigma value = 101


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

Energy: 1.4516489789204943
Energy: 1.3275256941640956
Energy: 1.324573328950214
Energy: 1.3275256941658067
Energy: 1.4516489789196387
Energy: 1.3275256941623843
Energy: 1.2340896604280807
Energy: 1.3297381918696658
Energy: 1.2335046113647306
Energy: 1.3297381918705213
Energy: 1.2340896604280807
Energy: 1.3297381918722326
Energy: 1.218121480031889
Energy: 1.3364906299054156
Energy: 1.2596553246609492
Energy: 1.336490629906271
Energy: 1.218121480031889
Energy: 1.336490629906271
Energy: 1.2523814409862746
Energy: 1.294502436748835
Energy: 1.2408813926708304
Energy: 1.3495124239224607
Energy: 1.2523814409845633
Energy: 1.2945024367479792
Energy: 1.206960593668026
Energy: 1.2772325661829163
Energy: 1.227408893511167
Energy: 1.2772325661829163
Energy: 1.206960593668026
Energy: 1.277232566183772
Energy: 1.2210061410652657
Energy: 1.3412045628128977
Energy: 1.2060439738192044
Energy: 1.3412045628137534
Energy: 1.22100614106441
Energy: 1.3412045628137534
Energy: 1.2274267578098785
Energy: 1.3491422385750227
Energy: 1.206895115274002
Energy: 1.3491422385784453
Energy: 1.227426757810734
Energy: 1.3491422385733116
Energy: 1.2177888780603827
Energy: 1.307497533303513
Energy: 1.2179885121599168
Energy: 1.3294343189553444
Energy: 1.2177888780586714
Energy: 1.3074975333052246
Energy: 1.206436376546671
Energy: 1.3144415734884567
Energy: 1.2185697943273808
Energy: 1.3144415734867456
Energy: 1.2064363765458157
Energy: 1.3144415734876014
Energy: 1.206417665913236
Energy: 1.303175633257222
Energy: 1.2070378578777143
Energy: 1.303175633257222
Energy: 1.2064176659106691
Energy: 1.3031756332589333
Energy: 1.271676035038201
Energy: 1.291470477613196
Energy: 1.2863504681715219
Energy: 1.2914704776166184
Energy: 1.2716760350390564
Energy: 1.291470477613196
Energy: 1.2333860108115948
Energy: 1.335010107890244
Energy: 1.2059705290191316
Energy: 1.3350101078910996
Energy: 1.2333860108124504
Energy: 1.335010107890244
Energy: 1.2350485486714773
Energy: 1.336520639377495
Energy: 1.252239573385456
Energy: 1.3365206393783509
Energy: 1.235048548672333
Energy: 1.3365206393783509
Energy: 1.258410698464279
Energy: 1.2771570095476863
Energy: 1.2341629253756707
Energy: 1.2870015042446996
Energy: 1.2584106984651349
Energy: 1.2771570095502531
Energy: 1.2138284039366996
Energy: 1.5181417943693054
Energy: 1.233522108324679
Energy: 1.51814179436845
Energy: 1.2138284039366996
Energy: 1.51814179436845
Energy: 1.2779206510705274
Energy: 1.3359684087893235
Energy: 1.2173742409636858
Energy: 1.3359684087893235
Energy: 1.2779206510705274
Energy: 1.335968408787612
Energy: 1.2072537512796195
Energy: 1.3448739152621463
Energy: 1.2513474536637932
Energy: 1.3448739152672802
Energy: 1.2072537512804753
Energy: 1.3448739152698468
Energy: 1.2178769042759985
Energy: 1.277496382975278
Energy: 1.2060030281152496
Energy: 1.2774963829735668
Energy: 1.2178769042759985
Energy: 1.2774963829727108
Energy: 1.2163709033371048
Energy: 1.3010540883310442
Energy: 1.219055670893377
Energy: 1.3010540883301887
Energy: 1.216370903336249
Energy: 1.3010540883301887
Energy: 1.2067451629647978
Energy: 1.4234581697438362
Energy: 1.206584238509187
Energy: 1.4234581697429802
Energy: 1.2067451629647978
Energy: 1.4234581697429802
Energy: 1.2289996083045016
Energy: 1.2766526044063462
Energy: 1.218475603243499
Energy: 1.2766526044054907
Energy: 1.2289996083036463
Energy: 1.2766526044063462
Energy: 1.2060734817693877
Energy: 1.3015270153610878
Energy: 1.2061522809439518
Energy: 1.301527015283266
Energy: 1.2060734817685321
Energy: 1.3015270152234122
Energy: 1.2186294900113905
Energy: 1.3018045408042593
Energy: 1.2066544187425774
Energy: 1.3018045408042593
Energy: 1.218629490012246
Energy: 1.3018045408042593
Energy: 1.2522169819111506
Energy: 1.3721798674703032
Energy: 1.2655215865012062
Energy: 1.3721798674694476
Energy: 1.2522169819120061
Energy: 1.3721798674694476
Energy: 1.206751933315084
Energy: 1.4491148762426325
Energy: 1.2161425505990797
Energy: 1.4491148762443438
Energy: 1.206751933315084
Energy: 1.449114876243488
Energy: 1.2324205406836721
Energy: 1.3355176932647637
Energy: 1.2781671473892176
Energy: 1.3355176932596298
Energy: 1.2324205406845277
Energy: 1.3355176932596298
Energy: 1.2343403995572522
Energy: 1.3987864304439381
Energy: 1.2064062514670393
Energy: 1.398786430446505
Energy: 1.2343403995572522
Energy: 1.3987864304473605
Energy: 1.2344097306430597
Energy: 1.52916042728101
Energy: 1.2067179804394512
Energy: 1.5291604272801547
Energy: 1.2344097306439155
Energy: 1.5291604272801547
Energy: 1.3229854931797358
Energy: 1.408990694294682
Energy: 1.310952244544521
Energy: 1.408990694294682
Energy: 1.322985493181447
Energy: 1.408990694294682
Energy: 1.2061753650141114
Energy: 1.3763213251326687
Energy: 1.2065656857923979
Energy: 1.3763213251343798
Energy: 1.2061753650141114
Energy: 1.376321325133524
Energy: 1.2514328105115504
Energy: 1.3458392122531193
Energy: 1.2190941176992127
Energy: 1.3458392122531193
Energy: 1.251432810510695
Energy: 1.3458392122522636
Energy: 1.232627368517246
Energy: 1.3012514035961609
Energy: 1.205930019159617
Energy: 1.301251403593594
Energy: 1.232627368517246
Energy: 1.3012514035944496
Energy: 1.2067052259603
Energy: 1.3212577916852135
Energy: 1.2181510616405093
Energy: 1.3212577916877803
Energy: 1.2067052259603
Energy: 1.321257791684358

minimum gb energy = 1.205930019159617 eV
minimum distance =  2.22498242153902 Angstroms
sigma value = 33


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

Energy: 0.014457170605013302
Energy: 0.015108537955783916
Energy: 1.354256395862356
Energy: 0.015108537956455321
Energy: 0.014457170605013302
Energy: 0.015108537956455321
Energy: 0.014605468390658183
Energy: 0.6564979079464657
Energy: 0.014605468390658183
Energy: 0.6564979079471767
Energy: 0.014605468391329588
Energy: 0.6564979079464657
Energy: 1.3827452950623045
Energy: 0.015108537956455321
Energy: 0.014457170605013302
Energy: 0.015108537955783916
Energy: 1.3827452950609223
Energy: 0.015108537956455321
Energy: 0.014605468391329588
Energy: 0.6564979079457943
Energy: 0.014605468391329588
Energy: 0.6564979079471767
Energy: 0.014605468391329588
Energy: 0.6564979079464657

minimum gb energy = 0.014457170605013302 eV
minimum distance =  2.41169469331427 Angstroms
sigma value = 1