Model name: model_name=SNAP_LiHuChen_2018_NiMo__MO_468686727341_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.17069959640503
cohesive_energy=3.1278918027780973
mass=95.95
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: -7.72422066253157 eV

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

Energy: 0.007882189685386273
Energy: 0.009460777496586475
Energy: 0.00789011270236419
Energy: 0.009460221139325027
Energy: 0.007882189685386273
Energy: 0.009459994274209434
Energy: 0.009460484162665319
Energy: 6.699011646594672
Energy: 0.009460505980141524
Energy: 6.699011646594672
Energy: 0.009460108944654244
Energy: 6.699011646594672
Energy: 0.00789011270236419
Energy: 0.009461414988496297
Energy: 0.007882189685386273
Energy: 0.009460643295185197
Energy: 0.00789011270236419
Energy: 0.0094615138070119
Energy: 0.009460655988448669
Energy: 6.6990116465942755
Energy: 0.009460373921436688
Energy: 6.699011646594672
Energy: 0.009461809771310612
Energy: 6.6990116465942755
Energy: 0.007882189685386273
Energy: 0.009461276929990034
Energy: 0.00789011270236419
Energy: 0.00946111809667832
Energy: 0.007882189685386273
Energy: 0.009461985153394132
Energy: 0.00946237085143643
Energy: 6.699011646594672
Energy: 0.00946088301772506
Energy: 6.699011646594672
Energy: 0.00946186549511989
Energy: 6.699011646594672

minimum gb energy = 0.007882189685386273 eV
minimum distance =  2.41326039007011 Angstroms
sigma value = 1


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

Energy: 2.4201629863150713
Energy: 2.419354709996291
Energy: 2.1954531331849436
Energy: 2.419354709996291
Energy: 2.4201629863150713
Energy: 2.419354709996291
Energy: 2.34699534720793
Energy: 2.353605548930078
Energy: 2.2004001753608136
Energy: 2.3536055489290963
Energy: 2.34699534720793
Energy: 2.353605548930078
Energy: 2.186962220388842
Energy: 2.356143491596708
Energy: 2.3395748667178022
Energy: 2.3561434915957267
Energy: 2.186962220388842
Energy: 2.3561434915957267
Energy: 2.1980913442113996
Energy: 2.390950342211443
Energy: 2.292451467537843
Energy: 2.390950342211443
Energy: 2.1980913442113996
Energy: 2.3909503422124243
Energy: 2.3479568146829766
Energy: 2.37846929635633
Energy: 2.2378555189710707
Energy: 2.37846929635633
Energy: 2.3479568146829766
Energy: 2.37846929635633
Energy: 2.332028998592169
Energy: 2.3553943897864955
Energy: 2.1933101930901167
Energy: 2.3553943897864955
Energy: 2.332028998592169
Energy: 2.3553943897864955
Energy: 2.332534828084833
Energy: 2.3528027579152084
Energy: 2.201014823209034
Energy: 2.3528027579152084
Energy: 2.332534828084833
Energy: 2.3528027579152084
Energy: 2.2247771156125897
Energy: 2.3789486140910574
Energy: 2.174963211783965
Energy: 2.3789486140910574
Energy: 2.2247771156116083
Energy: 2.3789486140910574
Energy: 2.3220700279942683
Energy: 2.3585563042399698
Energy: 2.1751615947571805
Energy: 2.3585563042399698
Energy: 2.3220700279942683
Energy: 2.3585563042399698
Energy: 2.333232987292824
Energy: 2.3527624899688293
Energy: 2.2010352847820656
Energy: 2.3527624899688293
Energy: 2.333232987292824
Energy: 2.3527624899688293
Energy: 2.3790938812272358
Energy: 2.3855349568005275
Energy: 2.317435601051163
Energy: 2.3855349568005275
Energy: 2.3790938812272358
Energy: 2.3855349568005275
Energy: 2.20132162938053
Energy: 2.3792175856603888
Energy: 2.201748333812119
Energy: 2.3792175856603888
Energy: 2.201321629381511
Energy: 2.3792175856603888
Energy: 2.281373932357073
Energy: 2.3944181348898756
Energy: 2.3120446129409093
Energy: 2.3944181348898756
Energy: 2.281373932357073
Energy: 2.3944181348898756
Energy: 2.203188318916527
Energy: 2.352739909550071
Energy: 2.333165453398339
Energy: 2.352739909550071
Energy: 2.203188318916527
Energy: 2.352739909550071
Energy: 2.250102791191706
Energy: 2.3422973310741653
Energy: 2.2965648253514983
Energy: 2.3422973310741653
Energy: 2.250102791191706
Energy: 2.3422973310741653
Energy: 2.198045238015351
Energy: 2.4170188933458245
Energy: 2.2250936229297595
Energy: 2.4170188933458245
Energy: 2.1980452380163324
Energy: 2.4170188933458245
Energy: 2.2013768359669665
Energy: 2.345360078317546
Energy: 2.3323057386525026
Energy: 2.345360078317546
Energy: 2.2013768359669665
Energy: 2.345360078317546
Energy: 2.1852375751412354
Energy: 2.352555918504056
Energy: 2.3333249885787537
Energy: 2.352555918504056
Energy: 2.1852375751412354
Energy: 2.352555918504056
Energy: 2.1860274395123893
Energy: 2.379297269950631
Energy: 2.3477363696523783
Energy: 2.379297269950631
Energy: 2.1860274395123893
Energy: 2.379297269950631
Energy: 2.2244239384957174
Energy: 2.3906191910465706
Energy: 2.198590343401397
Energy: 2.3906191910465706
Energy: 2.2244239384957174
Energy: 2.3906191910465706
Energy: 2.3395928453024992
Energy: 2.3429658067168653
Energy: 2.1866129388480746
Energy: 2.3429658067168653
Energy: 2.3395928453024992
Energy: 2.3429658067168653
Energy: 2.1999514721508833
Energy: 2.339570514735866
Energy: 2.315071259244418
Energy: 2.339570514735866
Energy: 2.1999514721518647
Energy: 2.339570514735866
Energy: 2.238309909605785
Energy: 2.3785907767598222
Energy: 2.245391274116354
Energy: 2.3785907767598222
Energy: 2.238309909605785
Energy: 2.3785907767598222

minimum gb energy = 2.174963211783965 eV
minimum distance =  2.37568622267254 Angstroms
sigma value = 33


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

Energy: 2.6512338748579287
Energy: 2.556229512387707
Energy: 2.305802415773675
Energy: 2.556229512387149
Energy: 2.6512338748579287
Energy: 2.556229512387149
Energy: 2.4234299502040577
Energy: 2.459997746552364
Energy: 2.2707319788391387
Energy: 2.459997746552364
Energy: 2.4234299502040577
Energy: 2.459997746552364
Energy: 2.261226235914877
Energy: 2.5539001618316344
Energy: 2.309444164959935
Energy: 2.5539001618316344
Energy: 2.261226235914877
Energy: 2.5539001618316344
Energy: 2.248079837259345
Energy: 2.492773537179879
Energy: 2.3109483536553386
Energy: 2.492773537179879
Energy: 2.248079837259345
Energy: 2.492773537179879
Energy: 2.2480886172050574
Energy: 2.490841296578429
Energy: 2.2955660097255404
Energy: 2.490841296578429
Energy: 2.2480886172050574
Energy: 2.490841296578429
Energy: 2.255373889279659
Energy: 2.4917871594854915
Energy: 2.2795347458768376
Energy: 2.4917871594854915
Energy: 2.255373889279659
Energy: 2.4917871594854915
Energy: 2.2554230462303626
Energy: 2.4940042528338418
Energy: 2.320467836342301
Energy: 2.4940042528338418
Energy: 2.2554230462303626
Energy: 2.4940042528338418
Energy: 2.2805388998355096
Energy: 2.493769785530126
Energy: 2.484384012076816
Energy: 2.493769785530126
Energy: 2.2805388998355096
Energy: 2.493769785530126
Energy: 2.371887568679813
Energy: 2.4909046516840947
Energy: 2.257089721912109
Energy: 2.4909046516840947
Energy: 2.371887568679813
Energy: 2.490904651683537
Energy: 2.2549788848842223
Energy: 2.561052302890486
Energy: 2.2477489662181376
Energy: 2.561052302890486
Energy: 2.2549788848842223
Energy: 2.561052302890486
Energy: 2.364831144044479
Energy: 2.4706269336641262
Energy: 2.3542843810521963
Energy: 2.4706269336641262
Energy: 2.364831144044479
Energy: 2.4706269336641262
Energy: 2.3096194753251047
Energy: 2.495081222747899
Energy: 2.270486201761415
Energy: 2.495081222747899
Energy: 2.3096194753251047
Energy: 2.495081222747899
Energy: 2.4093018819371186
Energy: 2.4179058490484397
Energy: 2.3673405228005016
Energy: 2.4179058490484397
Energy: 2.4093018819371186
Energy: 2.4179058490484397
Energy: 2.3169653933871226
Energy: 2.5435443194565748
Energy: 2.6567764659526993
Energy: 2.5435443194565748
Energy: 2.3169653933871226
Energy: 2.5435443194565748
Energy: 2.3100493027376214
Energy: 2.4916130625039314
Energy: 2.2913349929609472
Energy: 2.4916130625039314
Energy: 2.3100493027376214
Energy: 2.4916130625039314
Energy: 2.3101919790671515
Energy: 2.491377187640253
Energy: 2.2704562343195374
Energy: 2.491377187640253
Energy: 2.3101919790671515
Energy: 2.491377187640253
Energy: 2.3099233679987283
Energy: 2.491408045432946
Energy: 2.2473742240669683
Energy: 2.491408045432946
Energy: 2.3099233679987283
Energy: 2.4914080454318297
Energy: 2.3099393459642386
Energy: 2.4612530928975707
Energy: 2.29007196422532
Energy: 2.4612530928975707
Energy: 2.3099393459642386
Energy: 2.4612530928975707
Energy: 2.2796920742688527
Energy: 2.4938534330054054
Energy: 2.48430570743788
Energy: 2.4938534330054054
Energy: 2.2796920742688527
Energy: 2.4938534330054054
Energy: 2.4039067752742866
Energy: 2.4908921301993727
Energy: 2.361329645786597
Energy: 2.4908921301993727
Energy: 2.4039067752742866
Energy: 2.4908921301993727
Energy: 2.3452286663569217
Energy: 2.5612782707068162
Energy: 2.3062222361186056
Energy: 2.5612782707068162
Energy: 2.3452286663569217
Energy: 2.5612782707068162
Energy: 2.3696521090183773
Energy: 2.4658289872931216
Energy: 2.4121648660779567
Energy: 2.4658289872931216
Energy: 2.3696521090183773
Energy: 2.4658289872931216
Energy: 2.2470186513770622
Energy: 2.4949209128127743
Energy: 2.2956560344504338
Energy: 2.4949209128127743
Energy: 2.2470186513770622
Energy: 2.4949209128127743
Energy: 2.310738854033659
Energy: 2.459924812727288
Energy: 2.2847038943162703
Energy: 2.459924812727288
Energy: 2.310738854033659
Energy: 2.459924812727288
Energy: 2.3100549579734166
Energy: 2.4914377990001055
Energy: 2.309655100494652
Energy: 2.4914377990001055
Energy: 2.3100549579734166
Energy: 2.4914377990001055
Energy: 2.6665546999412753
Energy: 2.559278137034206
Energy: 2.322025352546489
Energy: 2.559278137034206
Energy: 2.6665546999412753
Energy: 2.559278137034206
Energy: 2.6663076341577
Energy: 2.5592272413933714
Energy: 2.3338305717623222
Energy: 2.5592272413928137
Energy: 2.6663076341577
Energy: 2.5592272413928137
Energy: 2.3100805814959275
Energy: 2.4913910997348396
Energy: 2.3096492361801206
Energy: 2.4913910997348396
Energy: 2.3100805814959275
Energy: 2.4913910997348396
Energy: 2.3104188607950933
Energy: 2.459756446072338
Energy: 2.283485872950727
Energy: 2.459756446072338
Energy: 2.3104188607950933
Energy: 2.459756446072338
Energy: 2.2470131900010237
Energy: 2.4949271660140067
Energy: 2.2775320000297845
Energy: 2.4949271660140067
Energy: 2.2470131900010237
Energy: 2.4949271660140067
Energy: 2.3696287321379406
Energy: 2.46582898729368
Energy: 2.4121130435974223
Energy: 2.46582898729368
Energy: 2.3696287321379406
Energy: 2.46582898729368
Energy: 2.3452238103895198
Energy: 2.5612332971091893
Energy: 2.306217995884323
Energy: 2.5612332971091893
Energy: 2.3452238103895198
Energy: 2.5612332971091893
Energy: 2.403895632666282
Energy: 2.4910716625326135
Energy: 2.3612922639145646
Energy: 2.491071662533172
Energy: 2.403895632666282
Energy: 2.491071662533172
Energy: 2.2797003657210344
Energy: 2.493828260478841
Energy: 2.6261178189956214
Energy: 2.493828260478841
Energy: 2.2797003657210344
Energy: 2.493828260478841
Energy: 2.3099228730319066
Energy: 2.4611737804002143
Energy: 2.3461858084322342
Energy: 2.4611737804002143
Energy: 2.3099228730319066
Energy: 2.4611737804002143
Energy: 2.3099462946241087
Energy: 2.491533243508529
Energy: 2.247363027410762
Energy: 2.491533243508529
Energy: 2.3099462946241087
Energy: 2.491533243508529
Energy: 2.309865571055763
Energy: 2.49160594416505
Energy: 2.26216188235935
Energy: 2.49160594416505
Energy: 2.309865571055763
Energy: 2.49160594416505
Energy: 2.30976602940038
Energy: 2.491494099746107
Energy: 2.2915669255511317
Energy: 2.491494099746107
Energy: 2.30976602940038
Energy: 2.491494099746107
Energy: 2.3169380225811684
Energy: 2.543505107976313
Energy: 2.6567420234727908
Energy: 2.543505107975755
Energy: 2.3169380225811684
Energy: 2.543505107975755
Energy: 2.409380017675305
Energy: 2.4179774586815665
Energy: 2.367674587440764
Energy: 2.4179774586815665
Energy: 2.409380017675305
Energy: 2.4179774586815665
Energy: 2.3099728193735705
Energy: 2.495080299984222
Energy: 2.2620185520074596
Energy: 2.495080299984222
Energy: 2.3099728193735705
Energy: 2.495080299984222

minimum gb energy = 2.2470131900010237 eV
minimum distance =  2.34429504679895 Angstroms
sigma value = 51


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

Energy: 2.3718443014651025
Energy: 2.6780006896506023
Energy: 2.3214331923894433
Energy: 2.6780006896506023
Energy: 2.3718443014651025
Energy: 2.6780006896506023
Energy: 2.2800873317357695
Energy: 2.4939862259633814
Energy: 2.491850230476996
Energy: 2.493986225962088
Energy: 2.2800873317357695
Energy: 2.4939862259633814
Energy: 2.27954603821238
Energy: 2.5573910580436205
Energy: 2.350231536047834
Energy: 2.5573910580436205
Energy: 2.27954603821238
Energy: 2.5573910580436205
Energy: 2.297646179895574
Energy: 2.5048689831402786
Energy: 2.4195385838218066
Energy: 2.5048689831402786
Energy: 2.297646179895574
Energy: 2.5048689831402786
Energy: 2.280010123758095
Energy: 2.532994156439056
Energy: 2.394202045425281
Energy: 2.532994156439056
Energy: 2.280010123758095
Energy: 2.532994156439056
Energy: 2.3722141527549985
Energy: 2.5423116449217833
Energy: 2.4655273472047314
Energy: 2.5423116449217833
Energy: 2.3722141527549985
Energy: 2.5423116449217833
Energy: 2.3730842895245488
Energy: 2.5335256808847015
Energy: 2.419541692700582
Energy: 2.5335256808847015
Energy: 2.3730842895245488
Energy: 2.5335256808847015
Energy: 2.300010463155208
Energy: 2.5356423772153547
Energy: 2.2921472073661384
Energy: 2.5356423772153547
Energy: 2.300010463155208
Energy: 2.5356423772153547
Energy: 2.457196435988545
Energy: 2.6255725556318876
Energy: 2.334594473645427
Energy: 2.6255725556318876
Energy: 2.457196435988545
Energy: 2.6255725556318876
Energy: 2.2842320485238945
Energy: 2.5390878953722162
Energy: 2.291934293267154
Energy: 2.5390878953722162
Energy: 2.2842320485238945
Energy: 2.5390878953722162
Energy: 2.45633888606149
Energy: 2.5330194114585614
Energy: 2.494585370237655
Energy: 2.5330194114585614
Energy: 2.45633888606149
Energy: 2.5330194114585614
Energy: 2.3760960392244623
Energy: 2.6718510810836142
Energy: 2.4651711689733653
Energy: 2.6718510810836142
Energy: 2.3760960392244623
Energy: 2.6718510810836142
Energy: 2.344800506075193
Energy: 2.5345982182529085
Energy: 2.4187283219148017
Energy: 2.5345982182529085
Energy: 2.344800506075193
Energy: 2.5345982182529085
Energy: 2.2792787728862733
Energy: 2.5583787526738386
Energy: 2.4175109922894498
Energy: 2.5583787526738386
Energy: 2.2792787728862733
Energy: 2.5583787526738386
Energy: 2.279323182417122
Energy: 2.3855958712217364
Energy: 2.418321752860169
Energy: 2.3855958712217364
Energy: 2.279323182417122
Energy: 2.3855958712217364
Energy: 2.2818404212282255
Energy: 2.533103668846642
Energy: 2.417477593877016
Energy: 2.533103668846642
Energy: 2.2818404212282255
Energy: 2.533103668846642
Energy: 2.371753911926179
Energy: 2.5346759963232377
Energy: 2.462752436867612
Energy: 2.5346759963232377
Energy: 2.371753911926179
Energy: 2.5346759963232377
Energy: 2.4552788701564885
Energy: 2.532910479176028
Energy: 2.4174542146833855
Energy: 2.5329104791747348
Energy: 2.4552788701564885
Energy: 2.5329104791747348

minimum gb energy = 2.2792787728862733 eV
minimum distance =  2.36041842940158 Angstroms
sigma value = 19


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

Energy: 2.652429555907433
Energy: 2.689954122801244
Energy: 2.426058089469236
Energy: 2.689954122801244
Energy: 2.652429555907433
Energy: 2.689954122801244
Energy: 2.443575583015636
Energy: 2.6723027424567394
Energy: 2.3583373797341807
Energy: 2.6723027424559724
Energy: 2.443575583015636
Energy: 2.6723027424559724
Energy: 2.321543897835987
Energy: 2.6934077318214205
Energy: 2.3570184253274564
Energy: 2.6934077318214205
Energy: 2.321543897835987
Energy: 2.6934077318214205
Energy: 2.347688238379445
Energy: 2.7325694466016826
Energy: 2.3569766637788927
Energy: 2.7325694466016826
Energy: 2.347688238379445
Energy: 2.7325694466016826
Energy: 2.3504521298012113
Energy: 2.6794774200430362
Energy: 2.497677129310723
Energy: 2.6794774200430362
Energy: 2.3504521298012113
Energy: 2.6794774200430362
Energy: 2.497249875019268
Energy: 2.679468158318988
Energy: 2.3504353287122304
Energy: 2.679468158318988
Energy: 2.497249875019268
Energy: 2.679468158319755
Energy: 2.356942618167729
Energy: 2.7326944795746635
Energy: 2.347701190683981
Energy: 2.7326944795746635
Energy: 2.356942618167729
Energy: 2.7326944795746635
Energy: 2.3572346178166588
Energy: 2.693025676716513
Energy: 2.321540080626695
Energy: 2.6930256767157466
Energy: 2.3572346178166588
Energy: 2.693025676716513
Energy: 2.358389302327679
Energy: 2.671939191116451
Energy: 2.427528578843606
Energy: 2.671939191116451
Energy: 2.358389302327679
Energy: 2.671939191116451
Energy: 2.496231693746346
Energy: 2.689954122801244
Energy: 2.652429555907433
Energy: 2.689954122801244
Energy: 2.496231693746346
Energy: 2.689954122801244
Energy: 2.3583373797341807
Energy: 2.6723027424559724
Energy: 2.4277131339502978
Energy: 2.6723027424559724
Energy: 2.3583373797341807
Energy: 2.6723027424567394
Energy: 2.3570184253274564
Energy: 2.6934077318214205
Energy: 2.321543897835987
Energy: 2.6934077318214205
Energy: 2.3570184253274564
Energy: 2.6934077318214205
Energy: 2.3569766637788927
Energy: 2.7325694466016826
Energy: 2.347688238379445
Energy: 2.7325694466016826
Energy: 2.3569766637788927
Energy: 2.7325694466016826
Energy: 2.497677129310723
Energy: 2.6794774200430362
Energy: 2.3504521298012113
Energy: 2.6794774200430362
Energy: 2.497677129310723
Energy: 2.6794774200430362
Energy: 2.3504353287122304
Energy: 2.679468158319755
Energy: 2.571844064447816
Energy: 2.679468158319755
Energy: 2.3504353287122304
Energy: 2.679468158318988
Energy: 2.3531132885709045
Energy: 2.7326944795746635
Energy: 2.356942618167729
Energy: 2.7326944795746635
Energy: 2.3531132885709045
Energy: 2.7326944795746635
Energy: 2.321540080626695
Energy: 2.693025676716513
Energy: 2.3572346178166588
Energy: 2.693025676716513
Energy: 2.321540080626695
Energy: 2.693025676716513
Energy: 2.427528578843606
Energy: 2.6719391911156842
Energy: 2.358389302327679
Energy: 2.6719391911156842
Energy: 2.427528578843606
Energy: 2.6719391911156842
Energy: 2.652429555907433
Energy: 2.689954122801244
Energy: 2.496231693746346
Energy: 2.689954122801244
Energy: 2.652429555907433
Energy: 2.689954122801244
Energy: 2.4277131339502978
Energy: 2.6723027424567394
Energy: 2.3583373797341807
Energy: 2.6723027424567394
Energy: 2.4277131339502978
Energy: 2.6723027424567394
Energy: 2.321543897835987
Energy: 2.6934077318214205
Energy: 2.3570184253274564
Energy: 2.6934077318214205
Energy: 2.321543897835987
Energy: 2.6934077318214205
Energy: 2.347688238379445
Energy: 2.7325694466016826
Energy: 2.3569766637788927
Energy: 2.7325694466016826
Energy: 2.347688238379445
Energy: 2.7325694466016826
Energy: 2.3504521298012113
Energy: 2.6794774200430362
Energy: 2.497677129310723
Energy: 2.6794774200430362
Energy: 2.3504521298012113
Energy: 2.6794774200430362
Energy: 2.624302777614913
Energy: 2.679468158318988
Energy: 2.3504353287122304
Energy: 2.679468158318988
Energy: 2.624302777614913
Energy: 2.679468158318988
Energy: 2.356942618167729
Energy: 2.7326944795746635
Energy: 2.3497244099703916
Energy: 2.7326944795746635
Energy: 2.356942618167729
Energy: 2.7326944795746635
Energy: 2.3572346178166588
Energy: 2.693025676716513
Energy: 2.321540080626695
Energy: 2.693025676716513
Energy: 2.3572346178166588
Energy: 2.6930256767157466
Energy: 2.358389302327679
Energy: 2.671939191116451
Energy: 2.427528578843606
Energy: 2.671939191116451
Energy: 2.358389302327679
Energy: 2.671939191116451
Energy: 2.496231693747113
Energy: 2.689954122801244
Energy: 2.652429555907433
Energy: 2.689954122801244
Energy: 2.496231693747113
Energy: 2.689954122801244
Energy: 2.3583373797341807
Energy: 2.6723027424567394
Energy: 2.4277131339502978
Energy: 2.6723027424567394
Energy: 2.3583373797341807
Energy: 2.6723027424567394
Energy: 2.3570184253274564
Energy: 2.6934077318214205
Energy: 2.321543897835987
Energy: 2.6934077318214205
Energy: 2.3570184253274564
Energy: 2.6934077318214205

minimum gb energy = 2.321540080626695 eV
minimum distance =  2.27492914218756 Angstroms
sigma value = 27


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

Energy: 2.178818764227843
Energy: 2.6945046918686377
Energy: 2.150694533106241
Energy: 2.6945046918686377
Energy: 2.178818764229722
Energy: 2.6945046918686377
Energy: 2.1010802273744584
Energy: 2.1125904626208043
Energy: 2.1120005537293283
Energy: 2.1125904626208043
Energy: 2.1010802273744584
Energy: 2.1125904626208043
Energy: 2.112084808300812
Energy: 2.329511318644914
Energy: 2.150717056496516
Energy: 2.329511318644914
Energy: 2.112084808300812
Energy: 2.329511318644914
Energy: 2.1802014684552784
Energy: 2.446890268194568
Energy: 2.1127662572184125
Energy: 2.446890268194568
Energy: 2.1802014684552784
Energy: 2.446890268194568
Energy: 2.1517922746115814
Energy: 2.695190706551399
Energy: 2.177307089914144
Energy: 2.695190706551399
Energy: 2.1517922746115814
Energy: 2.695190706551399
Energy: 2.1117999354021797
Energy: 2.6269052093955976
Energy: 2.1511478332539897
Energy: 2.6269052093955976
Energy: 2.1117999354021797
Energy: 2.6269052093955976
Energy: 2.15034503016327
Energy: 2.112941071640506
Energy: 2.111616214366253
Energy: 2.112941071640506
Energy: 2.15034503016327
Energy: 2.112941071640506
Energy: 2.1786790487508
Energy: 2.695623328541265
Energy: 2.149559639109998
Energy: 2.695623328541265
Energy: 2.1786790487508
Energy: 2.695623328541265
Energy: 2.1119452226071784
Energy: 2.4467093662615085
Energy: 2.101629610604554
Energy: 2.4467093662615085
Energy: 2.1119452226071784
Energy: 2.4467093662615085
Energy: 2.111624364549074
Energy: 2.448200452962132
Energy: 2.1116407241277497
Energy: 2.448200452962132
Energy: 2.111624364549074
Energy: 2.448200452962132
Energy: 2.180184858614078
Energy: 2.4468642112963055
Energy: 2.111952516344533
Energy: 2.4468642112963055
Energy: 2.180184858614078
Energy: 2.4468642112963055
Energy: 2.149234719212842
Energy: 2.695667719500604
Energy: 2.178665111757665
Energy: 2.695667719500604
Energy: 2.149234719212842
Energy: 2.695667719500604

minimum gb energy = 2.1010802273744584 eV
minimum distance =  2.3613415114102 Angstroms
sigma value = 9


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

Energy: 2.782809318204697
Energy: 2.92305675296125
Energy: 2.345026023219058
Energy: 2.92305675296125
Energy: 2.782809318204697
Energy: 2.923056752961778
Energy: 2.4245854708134553
Energy: 2.662697181562172
Energy: 2.346152735752825
Energy: 2.662697181562172
Energy: 2.4245854708134553
Energy: 2.662697181562172
Energy: 2.347899935449782
Energy: 2.9505423612188912
Energy: 2.3582680150930537
Energy: 2.9505423612188912
Energy: 2.347899935449782
Energy: 2.9505423612188912
Energy: 2.346290272276684
Energy: 2.347721594146245
Energy: 2.290302246082305
Energy: 2.347721594146245
Energy: 2.346290272276684
Energy: 2.347721594146245
Energy: 2.3031930995431367
Energy: 2.913513218844311
Energy: 2.3326488069557283
Energy: 2.913513218844311
Energy: 2.3031930995431367
Energy: 2.913513218844311
Energy: 2.2862959842371144
Energy: 2.8447544048507996
Energy: 2.368102455798707
Energy: 2.8447544048507996
Energy: 2.286295984236059
Energy: 2.8447544048507996
Energy: 2.4510906032488307
Energy: 2.3275635915218555
Energy: 2.3496117920289783
Energy: 2.3275635915229116
Energy: 2.4510906032488307
Energy: 2.3275635915218555
Energy: 2.3492840010259073
Energy: 2.91219684792638
Energy: 2.4234377085458694
Energy: 2.91219684792638
Energy: 2.3492840010264353
Energy: 2.91219684792638
Energy: 2.4006201536346023
Energy: 2.7420613340734636
Energy: 2.371237397167148
Energy: 2.7420613340734636
Energy: 2.4006201536346023
Energy: 2.7420613340734636
Energy: 2.3812081005257313
Energy: 2.9299264675821095
Energy: 2.303004675323998
Energy: 2.9299264675826375
Energy: 2.3812081005257313
Energy: 2.9299264675826375
Energy: 2.401344028890323
Energy: 2.3440539089639727
Energy: 2.357444310883778
Energy: 2.3440539089639727
Energy: 2.401344028890851
Energy: 2.3440539089639727
Energy: 2.3458580150855712
Energy: 2.928968536414609
Energy: 2.3542643969314487
Energy: 2.928968536414609
Energy: 2.3458580150855712
Energy: 2.928968536414609
Energy: 2.329855374718508
Energy: 2.7766340299778545
Energy: 2.3755338271197783
Energy: 2.7766340299778545
Energy: 2.329855374718508
Energy: 2.7766340299778545
Energy: 2.453901932242103
Energy: 2.927586875455458
Energy: 2.3260998889519224
Energy: 2.927586875455986
Energy: 2.453901932242103
Energy: 2.927586875455458
Energy: 2.3463616575837354
Energy: 2.9095839237828893
Energy: 2.3594083947755804
Energy: 2.9095839237828893
Energy: 2.3463616575837354
Energy: 2.9095839237828893
Energy: 2.3857797076447205
Energy: 2.867804814113207
Energy: 2.354210197292243
Energy: 2.867804814113207
Energy: 2.3857797076447205
Energy: 2.867804814113207
Energy: 2.381516204883058
Energy: 2.9092388252547794
Energy: 2.304649636228115
Energy: 2.9092388252547794
Energy: 2.381516204883586
Energy: 2.9092388252547794
Energy: 2.336524967957693
Energy: 2.718698687150221
Energy: 2.351886500672927
Energy: 2.718698687150221
Energy: 2.336524967957693
Energy: 2.718698687150221
Energy: 2.3490520646545705
Energy: 2.8594582331918925
Energy: 2.282548246162232
Energy: 2.8594582331918925
Energy: 2.3490520646550985
Energy: 2.8594582331918925
Energy: 2.282399663697572
Energy: 2.817072998780075
Energy: 2.2824220091764142
Energy: 2.8726438580417963
Energy: 2.282399663697572
Energy: 2.817072998780075
Energy: 2.2825511357789816
Energy: 2.859121197344675
Energy: 2.3490514050096327
Energy: 2.859121197344675
Energy: 2.2825511357789816
Energy: 2.859121197344675
Energy: 2.3518682241144697
Energy: 2.7190513367495797
Energy: 2.3362611238243973
Energy: 2.7190513367495797
Energy: 2.3518682241144697
Energy: 2.7190513367495797
Energy: 2.304254898020207
Energy: 2.9091477369620775
Energy: 2.3810186140222633
Energy: 2.9091477369620775
Energy: 2.304254898020207
Energy: 2.9091477369615495
Energy: 2.354186846430504
Energy: 2.867852013010326
Energy: 2.385804543631858
Energy: 2.867852013010326
Energy: 2.354186846430504
Energy: 2.867852013010326
Energy: 2.3593137072919994
Energy: 2.9091660041620604
Energy: 2.346362314100879
Energy: 2.9091660041620604
Energy: 2.3593137072909434
Energy: 2.909166004163116
Energy: 2.3261298084801068
Energy: 2.927834685242063
Energy: 2.4534628088132973
Energy: 2.927834685242063
Energy: 2.3261298084801068
Energy: 2.9278346852415353
Energy: 2.375485349879667
Energy: 2.776749174924279
Energy: 2.3335458994910057
Energy: 2.776749174924279
Energy: 2.375485349879667
Energy: 2.776749174924279
Energy: 2.354176518175806
Energy: 2.9289420875151353
Energy: 2.345893911293768
Energy: 2.9289420875151353
Energy: 2.354176518175806
Energy: 2.9289420875151353
Energy: 2.3574235405483144
Energy: 2.344286115113758
Energy: 2.355239972544099
Energy: 2.34428611511323
Energy: 2.3574235405472588
Energy: 2.344286115113758
Energy: 2.3030021790303046
Energy: 2.9300030629839657
Energy: 2.3813608472492436
Energy: 2.9300030629839657
Energy: 2.303002179030833
Energy: 2.9300030629839657
Energy: 2.365248252780162
Energy: 2.742061334072408
Energy: 2.400490371618892
Energy: 2.742061334072935
Energy: 2.365248252780162
Energy: 2.742061334072935
Energy: 2.4234601093218817
Energy: 2.912560370913228
Energy: 2.3489376043400942
Energy: 2.912560370913228
Energy: 2.4234601093224093
Energy: 2.912560370913228
Energy: 2.3496637127835656
Energy: 2.3275742320618233
Energy: 2.659528562215157
Energy: 2.3275742320618233
Energy: 2.3496637127835656
Energy: 2.3275742320607673
Energy: 2.368204084806783
Energy: 2.8158694110224607
Energy: 2.2863010859649724
Energy: 2.8158694110224607
Energy: 2.368204084806783
Energy: 2.8158694110224607
Energy: 2.3328716336120023
Energy: 2.913648023854687
Energy: 2.3031826334790746
Energy: 2.913648023854687
Energy: 2.3328716336120023
Energy: 2.913648023854687
Energy: 2.289954202352828
Energy: 2.34742446883022
Energy: 2.346225523679126
Energy: 2.34742446883022
Energy: 2.289954202353356
Energy: 2.347424468829164
Energy: 2.3582446912848583
Energy: 2.950588493289568
Energy: 2.3478730373665146
Energy: 2.950588493289568
Energy: 2.3582446912848583
Energy: 2.950588493289568
Energy: 2.3463424803225483
Energy: 2.7815933269444275
Energy: 2.4246847527718347
Energy: 2.7815933269444275
Energy: 2.3463424803225483
Energy: 2.7815933269454827
Energy: 2.345026023255463
Energy: 2.92305675296125
Energy: 2.782809318204697
Energy: 2.92305675296125
Energy: 2.3450260232559916
Energy: 2.92305675296125
Energy: 2.346152735752825
Energy: 2.662697181562172
Energy: 2.4245854708139833
Energy: 2.662697181562172
Energy: 2.346152735752825
Energy: 2.662697181562172
Energy: 2.3582680150930537
Energy: 2.9505423612188912
Energy: 2.347899935449254
Energy: 2.950542361218363
Energy: 2.3582680150930537
Energy: 2.9505423612188912
Energy: 2.290302246082305
Energy: 2.347721594146245
Energy: 2.346290272276684
Energy: 2.347721594146245
Energy: 2.290302246082305
Energy: 2.347721594146245
Energy: 2.3326488069552003
Energy: 2.913513218844311
Energy: 2.3031930995431367
Energy: 2.913513218844311
Energy: 2.3326488069552003
Energy: 2.913513218844311

minimum gb energy = 2.282399663697572 eV
minimum distance =  2.33162499486939 Angstroms
sigma value = 57


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

Energy: 2.4873337803852653
Energy: 2.344336299629866
Energy: 2.234934596793059
Energy: 2.344336299629866
Energy: 2.4873337803852653
Energy: 2.344336299629866
Energy: 2.633680907406676
Energy: 2.8994362989474687
Energy: 2.2525297736972174
Energy: 2.8994362989474687
Energy: 2.633680907406676
Energy: 2.8994362989474687
Energy: 2.1704160337985337
Energy: 2.816555101897466
Energy: 2.233997799381145
Energy: 2.816555101897466
Energy: 2.1704160337985337
Energy: 2.816555101897466
Energy: 2.1816345301537643
Energy: 2.1802619229972167
Energy: 2.2015310836991793
Energy: 2.1802619229972167
Energy: 2.1816345301537643
Energy: 2.1802619229972167
Energy: 2.1803461568910367
Energy: 2.430735646404567
Energy: 2.251801393256389
Energy: 2.430735646404567
Energy: 2.1803461568910367
Energy: 2.430735646404567
Energy: 2.6582113670488003
Energy: 2.8856691399205117
Energy: 2.1706952399788904
Energy: 2.8856691399205117
Energy: 2.6582113670488003
Energy: 2.8856691399205117
Energy: 2.658225239216531
Energy: 2.8855884581451052
Energy: 2.17064767375195
Energy: 2.8855884581451052
Energy: 2.658225239216531
Energy: 2.8855884581451052
Energy: 2.1803416078327102
Energy: 2.429313829212768
Energy: 2.2015373283026163
Energy: 2.429313829212768
Energy: 2.1803416078327102
Energy: 2.429313829212768
Energy: 2.1816548531921747
Energy: 2.180255389581673
Energy: 2.2524209236612798
Energy: 2.180255389581673
Energy: 2.1816548531921747
Energy: 2.180255389581673
Energy: 2.1704059688821506
Energy: 2.8165250233567294
Energy: 2.233829444516373
Energy: 2.8165250233567294
Energy: 2.1704059688821506
Energy: 2.8165250233567294
Energy: 2.6335538665432776
Energy: 2.8994362989474687
Energy: 2.2016532089813086
Energy: 2.8994362989474687
Energy: 2.6335538665432776
Energy: 2.8994362989474687
Energy: 2.4873337803852653
Energy: 2.344336299629866
Energy: 2.426886861041254
Energy: 2.344336299629866
Energy: 2.4873337803852653
Energy: 2.344336299629866
Energy: 2.633680907406676
Energy: 2.8994362989474687
Energy: 2.1803480077606627
Energy: 2.8994362989474687
Energy: 2.633680907406676
Energy: 2.8994362989474687
Energy: 2.1704160337985337
Energy: 2.816555101897466
Energy: 2.23399779930065
Energy: 2.816555101897466
Energy: 2.1704160337985337
Energy: 2.816555101897466
Energy: 2.1816345301537643
Energy: 2.1802619229972167
Energy: 2.2015310836991793
Energy: 2.1802619229972167
Energy: 2.1816345301537643
Energy: 2.1802619229972167
Energy: 2.1803461568910367
Energy: 2.430735646404567
Energy: 2.1803914309960573
Energy: 2.430735646404567
Energy: 2.1803461568910367
Energy: 2.430735646404567
Energy: 2.6582113670488003
Energy: 2.8856691399205117
Energy: 2.1706952399788904
Energy: 2.8856691399205117
Energy: 2.6582113670488003
Energy: 2.8856691399205117
Energy: 2.658225239216531
Energy: 2.8855884581451052
Energy: 2.17064767375195
Energy: 2.8855884581451052
Energy: 2.658225239216531
Energy: 2.8855884581451052
Energy: 2.1803416078327102
Energy: 2.429313829212768
Energy: 2.2015373283026163
Energy: 2.429313829212768
Energy: 2.1803416078327102
Energy: 2.429313829212768

minimum gb energy = 2.1704059688821506 eV
minimum distance =  2.38838124238109 Angstroms
sigma value = 11


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

Energy: 2.3207460785721334
Energy: 2.6829808956036594
Energy: 2.2742121214986932
Energy: 2.6829808956036594
Energy: 2.3207460785721334
Energy: 2.6829808956036594
Energy: 2.6154573266611654
Energy: 2.1454576439258948
Energy: 2.046710186020352
Energy: 2.1454576439258948
Energy: 2.6154573266611654
Energy: 2.1454576439258948
Energy: 2.2735708869593587
Energy: 2.1426980794333943
Energy: 2.2736124022850683
Energy: 2.1426980794333943
Energy: 2.2735708869593587
Energy: 2.1426980794333943
Energy: 2.402619919130613
Energy: 2.0670398391751705
Energy: 2.0466677298520954
Energy: 2.0670398391751705
Energy: 2.402619919130613
Energy: 2.0670398391751705
Energy: 2.0445040420543785
Energy: 2.6912015480480522
Energy: 2.258731384770887
Energy: 2.6912015480480522
Energy: 2.0445040420543785
Energy: 2.6912015480480522
Energy: 2.0592641978708714
Energy: 2.656140814570265
Energy: 2.04611061415998
Energy: 2.656140814570265
Energy: 2.0592641978708714
Energy: 2.656140814570265
Energy: 2.0574821342786467
Energy: 2.419603692712356
Energy: 2.060158946422669
Energy: 2.419603692712356
Energy: 2.0574821342786467
Energy: 2.419603692712356
Energy: 2.427771931361531
Energy: 2.6886835584516957
Energy: 2.1002561382688483
Energy: 2.6886835584516957
Energy: 2.427771931360651
Energy: 2.6886835584516957
Energy: 2.425496464378805
Energy: 2.6906302821859014
Energy: 2.2431903145023395
Energy: 2.6906302821859014
Energy: 2.425496464378805
Energy: 2.6906302821859014
Energy: 2.0587200473436873
Energy: 2.242529757538426
Energy: 2.046709366428519
Energy: 2.242529757538426
Energy: 2.0587200473436873
Energy: 2.242529757538426
Energy: 2.0580931083787384
Energy: 2.655748350458093
Energy: 2.061001509264672
Energy: 2.655748350458093
Energy: 2.0580931083787384
Energy: 2.655748350458093
Energy: 2.0460580800824766
Energy: 2.6861390875659397
Energy: 2.0464295367923797
Energy: 2.6861390875659397
Energy: 2.0460580800824766
Energy: 2.6861390875659397
Energy: 2.425328976507975
Energy: 2.0644300476503368
Energy: 2.0655638122861024
Energy: 2.0644300476503368
Energy: 2.425328976507975
Energy: 2.0644300476503368
Energy: 2.048917068867118
Energy: 2.243256880768556
Energy: 2.0594364010949504
Energy: 2.243256880768556
Energy: 2.048917068867118
Energy: 2.243256880768556
Energy: 2.4062781473598642
Energy: 2.1437588706237767
Energy: 2.060814203890119
Energy: 2.1437588706237767
Energy: 2.4062781473598642
Energy: 2.1437588706237767
Energy: 2.1048462359109346
Energy: 2.670353000794407
Energy: 2.2446175756692557
Energy: 2.670353000794407
Energy: 2.1048462359109346
Energy: 2.670353000794407
Energy: 2.4067717416640657
Energy: 2.1450388211092735
Energy: 2.065443908352314
Energy: 2.145038821110154
Energy: 2.4067717416640657
Energy: 2.1450388211092735
Energy: 2.0492841578230716
Energy: 2.0580865026237363
Energy: 2.0905021753445823
Energy: 2.0580865026237363
Energy: 2.0492841578230716
Energy: 2.0580865026237363
Energy: 2.4035924430661404
Energy: 2.0678013702108013
Energy: 2.0604656669083
Energy: 2.0678013702108013
Energy: 2.4035924430661404
Energy: 2.0678013702108013
Energy: 2.045590611341574
Energy: 2.6891089367050993
Energy: 2.068976807212477
Energy: 2.6891089367050993
Energy: 2.0455906113406934
Energy: 2.6891089367050993
Energy: 2.4940872480990355
Energy: 2.6567245473968932
Energy: 2.0466017591565224
Energy: 2.6567245473968932
Energy: 2.4940872480990355
Energy: 2.6567245473968932
Energy: 2.0587444748743957
Energy: 2.3771717270604302
Energy: 2.2352560031121382
Energy: 2.3771717270604302
Energy: 2.0587444748743957
Energy: 2.37717172705955
Energy: 2.427282670814473
Energy: 2.6845236242430524
Energy: 2.1008257514293462
Energy: 2.6845236242430524
Energy: 2.427282670814473
Energy: 2.6845236242430524
Energy: 2.046065833030362
Energy: 2.687327413482038
Energy: 2.4011905659611745
Energy: 2.687327413482038
Energy: 2.046065833030362
Energy: 2.687327413482038
Energy: 2.062600888970171
Energy: 2.2415953212833104
Energy: 2.04668284635301
Energy: 2.2415953212833104
Energy: 2.062600888970171
Energy: 2.2415953212833104
Energy: 2.059677418658481
Energy: 2.655792541903691
Energy: 2.0546408424901608
Energy: 2.655792541903691
Energy: 2.059677418658481
Energy: 2.655792541903691

minimum gb energy = 2.0445040420543785 eV
minimum distance =  2.31531859321702 Angstroms
sigma value = 41


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

Energy: 2.40574378453684
Energy: 2.505244189079762
Energy: 1.9715128954105554
Energy: 2.505244189079762
Energy: 2.40574378453684
Energy: 2.505244189079762
Energy: 2.5324625791091973
Energy: 2.0228834399228997
Energy: 1.9171189822390253
Energy: 2.0228834399228997
Energy: 2.5324625791085036
Energy: 2.0228834399228997
Energy: 2.1321324301367772
Energy: 2.451487574806527
Energy: 1.96926774472545
Energy: 2.451487574806527
Energy: 2.1321324301367772
Energy: 2.451487574806527
Energy: 2.3788731043977642
Energy: 1.940974954925554
Energy: 1.9168175656278001
Energy: 1.940974954925554
Energy: 2.3788731043977642
Energy: 1.940974954925554
Energy: 2.0936428692295084
Energy: 2.0769275310243644
Energy: 1.927750692459843
Energy: 2.0769275310243644
Energy: 2.0936428692295084
Energy: 2.0769275310243644
Energy: 2.228197464779652
Energy: 2.4204099187625094
Energy: 1.9170203693954555
Energy: 2.4204099187625094
Energy: 2.228197464779652
Energy: 2.4204099187625094
Energy: 1.9145916456166168
Energy: 2.5252988360704554
Energy: 1.9203646030275283
Energy: 2.5252988360704554
Energy: 1.9145916456166168
Energy: 2.5252988360711495
Energy: 2.3038227073132003
Energy: 2.4212011374859355
Energy: 1.9603085079286209
Energy: 2.4212011374859355
Energy: 2.3038227073132003
Energy: 2.4212011374859355
Energy: 1.934895798647163
Energy: 2.0771309123230455
Energy: 2.076632839365017
Energy: 2.0771309123237396
Energy: 1.934895798647163
Energy: 2.0771309123230455
Energy: 2.2376147393841355
Energy: 2.5243437076357846
Energy: 2.2499570547392245
Energy: 2.5243437076357846
Energy: 2.2376147393841355
Energy: 2.5243437076357846
Energy: 2.2342809469565568
Energy: 2.5192224631551707
Energy: 2.2491575832147555
Energy: 2.5192224631558644
Energy: 2.2342809469565568
Energy: 2.5192224631558644
Energy: 1.9367118716553047
Energy: 2.629334009592644
Energy: 1.9603275364956303
Energy: 2.629334009592644
Energy: 1.9367118716553047
Energy: 2.629334009592644
Energy: 1.9358079284098961
Energy: 2.5712407817849394
Energy: 2.0790005207513356
Energy: 2.5712407817849394
Energy: 1.9358079284098961
Energy: 2.5712407817849394
Energy: 1.9157805031915593
Energy: 2.5243244049654634
Energy: 1.9168857051328587
Energy: 2.5243244049654634
Energy: 1.9157805031915593
Energy: 2.5243244049654634
Energy: 2.227027985227576
Energy: 2.4199192265197667
Energy: 1.9205066283251944
Energy: 2.4199192265197667
Energy: 2.227027985227576
Energy: 2.4199192265197667
Energy: 1.917037801656731
Energy: 2.6301113839887957
Energy: 1.9181679912542187
Energy: 2.6301113839887957
Energy: 1.917037801656731
Energy: 2.6301113839887957
Energy: 2.2101804775816345
Energy: 2.474101723581161
Energy: 1.934565074905935
Energy: 2.474101723581161
Energy: 2.2101804775816345
Energy: 2.474101723581161
Energy: 1.960419158781089
Energy: 2.4321206738886203
Energy: 1.9381648660864417
Energy: 2.4321206738886203
Energy: 1.960419158781089
Energy: 2.4321206738886203
Energy: 2.5313745536199024
Energy: 2.021396460137881
Energy: 1.9199908017251082
Energy: 2.021396460137881
Energy: 2.5313745536199024
Energy: 2.021396460137881
Energy: 2.2483766176312745
Energy: 2.5348862771958682
Energy: 2.2351153055338737
Energy: 2.5348862771958682
Energy: 2.2483766176312745
Energy: 2.5348862771958682
Energy: 2.5344277943601594
Energy: 2.469010598461923
Energy: 1.9347228549134334
Energy: 2.469010598461923
Energy: 2.5344277943601594
Energy: 2.469010598461923
Energy: 1.9603633441018937
Energy: 2.431723191061956
Energy: 1.9720651332008388
Energy: 2.431723191061956
Energy: 1.9603633441018937
Energy: 2.4317231910626496
Energy: 2.3774946240796804
Energy: 1.9384441085113389
Energy: 1.919550008219443
Energy: 1.938444108510645
Energy: 2.3774946240796804
Energy: 1.9384441085113389
Energy: 1.916808518522272
Energy: 2.245170542011465
Energy: 2.0843093370891026
Energy: 2.245170542011465
Energy: 1.916808518522272
Energy: 2.245170542011465
Energy: 2.0845586046968263
Energy: 2.4246716633166683
Energy: 1.916691864488925
Energy: 2.4246716633166683
Energy: 2.0845586046968263
Energy: 2.4246716633166683
Energy: 1.9155519958846143
Energy: 2.419414697502017
Energy: 2.070995511628636
Energy: 2.419414697502017
Energy: 1.9155519958846143
Energy: 2.419414697502017
Energy: 2.3083190298857508
Energy: 2.4240243539710984
Energy: 1.9603594757762413
Energy: 2.4240243539710984
Energy: 2.3083190298857508
Energy: 2.4240243539710984
Energy: 1.936068018890363
Energy: 2.279998308429093
Energy: 2.3692887467547283
Energy: 2.279998308429093
Energy: 1.936068018890363
Energy: 2.279998308429093
Energy: 2.2353036687765804
Energy: 2.5694217584451495
Energy: 2.2489642244425703
Energy: 2.5694217584451495
Energy: 2.2353036687765804
Energy: 2.5694217584451495
Energy: 1.9162548079805188
Energy: 2.417549643137155
Energy: 2.395365545793561
Energy: 2.417549643137155
Energy: 1.9162548079805188
Energy: 2.417549643137155
Energy: 1.941176046078112
Energy: 2.5268187881447273
Energy: 1.9602742483458995
Energy: 2.5268187881447273
Energy: 1.941176046078112
Energy: 2.5268187881447273
Energy: 1.9366203909192345
Energy: 2.566972984189871
Energy: 2.209423279650765
Energy: 2.566972984189871
Energy: 1.9366203909192345
Energy: 2.566972984189871
Energy: 1.9200923180890108
Energy: 2.525866991598809
Energy: 1.9168086917111853
Energy: 2.525866991598809
Energy: 1.9200923180890108
Energy: 2.525866991598809

minimum gb energy = 1.9145916456166168 eV
minimum distance =  2.30485514706584 Angstroms
sigma value = 33


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

Energy: 2.123195678259107
Energy: 2.3878389698320097
Energy: 1.7687912167721522
Energy: 2.3878389698320097
Energy: 2.123195678259107
Energy: 2.3878389698320097
Energy: 2.6155950195590014
Energy: 2.118184807501937
Energy: 1.7371562164241428
Energy: 2.118184807501937
Energy: 2.6155950195590014
Energy: 2.118184807501937
Energy: 2.0811646706499283
Energy: 2.314377536811025
Energy: 1.7692917316449912
Energy: 2.314377536811025
Energy: 2.0811646706499283
Energy: 2.314377536811025
Energy: 2.450262804336356
Energy: 1.7417608667998872
Energy: 1.7367827751798153
Energy: 1.7417608667998872
Energy: 2.450262804336356
Energy: 1.7417608667998872
Energy: 1.895546905032631
Energy: 2.192205360772923
Energy: 1.74836022993216
Energy: 2.192205360772923
Energy: 1.895546905032631
Energy: 2.192205360772923
Energy: 2.1615576201247104
Energy: 2.0968619766361867
Energy: 1.7362843419264014
Energy: 2.0968619766361867
Energy: 2.1615576201247104
Energy: 2.0968619766361867
Energy: 1.7963308844759927
Energy: 2.1284125288083895
Energy: 1.729915384508898
Energy: 2.1284125288083895
Energy: 1.7963308844759927
Energy: 2.1284125288083895
Energy: 2.0590454192145824
Energy: 2.0953990402086293
Energy: 1.7475517835449985
Energy: 2.0953990402086293
Energy: 2.0590454192145824
Energy: 2.0953990402086293
Energy: 1.7433098842623747
Energy: 2.296640671097772
Energy: 1.92008255003651
Energy: 2.296640671097772
Energy: 1.7433098842623747
Energy: 2.296640671097772
Energy: 1.9563792207010626
Energy: 2.1842954529598515
Energy: 1.9929995649565448
Energy: 2.1842954529598515
Energy: 1.9563792207010626
Energy: 2.1842954529598515
Energy: 1.7324576448658278
Energy: 2.164257907784758
Energy: 1.9848151209589442
Energy: 2.164257907784758
Energy: 1.7324576448658278
Energy: 2.164257907784758
Energy: 2.2452931947767665
Energy: 2.269907785382881
Energy: 2.0172000129719994
Energy: 2.269907785382881
Energy: 2.2452931947767665
Energy: 2.269907785382881
Energy: 1.9559458586928615
Energy: 2.2979992331404238
Energy: 2.1196503343822344
Energy: 2.2979992331404238
Energy: 1.9559458586928615
Energy: 2.2979992331404238
Energy: 1.9712935368554763
Energy: 2.3144982941705163
Energy: 2.1840730017799617
Energy: 2.3144982941705163
Energy: 1.9712935368554763
Energy: 2.3144982941705163
Energy: 1.9642422470842413
Energy: 2.193207644574848
Energy: 2.1834090671042805
Energy: 2.193207644574848
Energy: 1.9642422470842413
Energy: 2.193207644574848
Energy: 1.9614997711584563
Energy: 2.2693683697724825
Energy: 2.01708439721433
Energy: 2.2693683697724825
Energy: 1.9614997711584563
Energy: 2.2693683697724825
Energy: 1.955393851810832
Energy: 2.2961949929048338
Energy: 2.1195809493650346
Energy: 2.2961949929048338
Energy: 1.955393851810832
Energy: 2.2961949929048338
Energy: 1.7294771059145686
Energy: 2.3148448974920477
Energy: 1.9930427291640038
Energy: 2.3148448974920477
Energy: 1.729477105909699
Energy: 2.3148448974920477
Energy: 1.9651400166359478
Energy: 2.296963405570133
Energy: 1.9850513629857673
Energy: 2.296963405570133
Energy: 1.9651400166359478
Energy: 2.296963405570133
Energy: 1.7397874955738566
Energy: 2.3185989702308825
Energy: 1.747628728977267
Energy: 2.3185989702308825
Energy: 1.7397874955738566
Energy: 2.3185989702308825
Energy: 1.9549517321752508
Energy: 2.183097070424577
Energy: 1.978873059732789
Energy: 2.183097070424577
Energy: 1.9549517321752508
Energy: 2.183097070424577
Energy: 1.7398938789247105
Energy: 2.3147634208738457
Energy: 1.7357312894669747
Energy: 2.3147634208738457
Energy: 1.7398938789247105
Energy: 2.3147634208738457
Energy: 2.1689577277189547
Energy: 2.230639547835416
Energy: 1.7287263092265357
Energy: 2.230639547835416
Energy: 2.1689577277189547
Energy: 2.230639547835416
Energy: 1.7739505647919622
Energy: 2.318336304634791
Energy: 1.7363403237966364
Energy: 2.318336304634791
Energy: 1.7739505647919622
Energy: 2.318336304634791
Energy: 2.311204629650085
Energy: 2.2123328306983154
Energy: 1.904648520043129
Energy: 2.2123328306983154
Energy: 2.311204629650085
Energy: 2.2123328306983154
Energy: 2.0112669987003087
Energy: 2.2674869718973367
Energy: 1.747784271092527
Energy: 2.2674869718973367
Energy: 2.0112669987003087
Energy: 2.2674869718973367
Energy: 2.622032193994411
Energy: 2.0951548689645674
Energy: 1.7286884191909409
Energy: 2.0951548689645674
Energy: 2.622032193994411
Energy: 2.0951548689645674
Energy: 2.058562417626691
Energy: 2.3148785747037812
Energy: 1.9872867075896936
Energy: 2.3148785746989122
Energy: 2.058562417626691
Energy: 2.3148785747037812
Energy: 2.3117357029634142
Energy: 2.197408583459251
Energy: 1.9615159051632722
Energy: 2.197408583459251
Energy: 2.3117357029634142
Energy: 2.197408583459251
Energy: 2.011210352410023
Energy: 2.2675538440708816
Energy: 1.9984289554123866
Energy: 2.2675538440708816
Energy: 2.011210352410023
Energy: 2.2675538440708816
Energy: 2.31583957541874
Energy: 1.9250575342074656
Energy: 1.7294111371395002
Energy: 1.9250575342074656
Energy: 2.31583957541874
Energy: 1.9250575342074656
Energy: 1.7741943745253608
Energy: 2.184106882305388
Energy: 1.9569645223622107
Energy: 2.184106882305388
Energy: 1.7741943745253608
Energy: 2.184106882305388
Energy: 2.0614076235900987
Energy: 2.1832470064463294
Energy: 1.739711250016336
Energy: 2.1832470064463294
Energy: 2.061407623594968
Energy: 2.1832470064463294
Energy: 1.7398760951623127
Energy: 2.098434735053694
Energy: 2.0738705179916894
Energy: 2.098434735053694
Energy: 1.7398760951623127
Energy: 2.098434735053694
Energy: 2.073990707428828
Energy: 2.0985779414361
Energy: 1.740175381595041
Energy: 2.0985779414361
Energy: 2.073990707428828
Energy: 2.0985779414361
Energy: 1.7398299721482817
Energy: 2.1831878338879283
Energy: 2.061584056271115
Energy: 2.183187833892798
Energy: 1.7398299721482817
Energy: 2.1831878338879283
Energy: 1.9569956052098454
Energy: 2.184277715472506
Energy: 1.774134691763108
Energy: 2.184277715472506
Energy: 1.9569956052098454
Energy: 2.184277715472506
Energy: 1.7293416869419456
Energy: 1.9252550802568142
Energy: 2.3158376972986736
Energy: 1.9252550802568142
Energy: 1.7293416869419456
Energy: 1.9252550802568142
Energy: 1.9984289554123866
Energy: 2.2675257648884486
Energy: 2.0111296549188244
Energy: 2.2675257648884486
Energy: 1.9984289554123866
Energy: 2.2675257648884486
Energy: 1.8550021805766517
Energy: 2.197408203338672
Energy: 2.311796368867989
Energy: 2.197408203338672
Energy: 1.8550021805717818
Energy: 2.197408203338672
Energy: 1.9871708410446187
Energy: 2.314716071947347
Energy: 2.058711688469061
Energy: 2.314716071947347
Energy: 1.9871708410446187
Energy: 2.314716071947347
Energy: 1.7287103939611823
Energy: 2.0946291089770632
Energy: 2.6215964007960286
Energy: 2.0946291089770632
Energy: 1.7287103939611823
Energy: 2.0946291089770632
Energy: 1.7477673535215914
Energy: 2.2674613323176485
Energy: 2.0110300299059465
Energy: 2.2674613323176485
Energy: 1.7477673535215914
Energy: 2.2674613323176485
Energy: 1.8552757670000206
Energy: 2.212595926910175
Energy: 2.311294918807197
Energy: 2.212595926910175
Energy: 1.8552757670000206
Energy: 2.212595926910175
Energy: 1.7363337371539553
Energy: 2.318325698840238
Energy: 1.7741418397916056
Energy: 2.318325698840238
Energy: 1.7363337371539553
Energy: 2.318325698840238
Energy: 1.7287074352909166
Energy: 2.230639547835416
Energy: 2.169074108181755
Energy: 2.230639547835416
Energy: 1.7287074352909166
Energy: 2.230639547835416
Energy: 1.7357629564992032
Energy: 2.314762003908103
Energy: 1.7399451792137963
Energy: 2.314762003908103
Energy: 1.7357629564992032
Energy: 2.314762003908103

minimum gb energy = 1.7286884191909409 eV
minimum distance =  2.39578158704711 Angstroms
sigma value = 67


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

Energy: 0.7471481494636036
Energy: 0.7485456048366999
Energy: 0.7468252660465329
Energy: 0.7485456048366999
Energy: 0.7471481494636036
Energy: 0.7485456048366999
Energy: 0.7242912124956588
Energy: 1.4874917376138237
Energy: 1.3311244944178615
Energy: 1.4874917376138237
Energy: 0.7242912124956588
Energy: 1.4874917376138237
Energy: 0.7471481494636036
Energy: 0.7485456048366999
Energy: 0.7468252660465329
Energy: 0.7485456048366999
Energy: 0.7471481494636036
Energy: 0.7485456048366999
Energy: 0.7242912124956588
Energy: 1.4874917376138237
Energy: 1.3311244944178615
Energy: 1.4874917376138237
Energy: 0.7242912124956588
Energy: 1.4874917376138237
Energy: 0.7471481494636036
Energy: 0.7485456048366999
Energy: 0.7468252660465329
Energy: 0.7485456048366999
Energy: 0.7471481494636036
Energy: 0.7485456048366999
Energy: 0.7242912124956588
Energy: 1.4874917376138237
Energy: 1.3311244944178615
Energy: 1.4874917376138237
Energy: 0.7242912124956588
Energy: 1.4874917376138237
Energy: 0.7471481494636036
Energy: 0.7485456048366999
Energy: 0.7468252660465329
Energy: 0.7485456048366999
Energy: 0.7471481494636036
Energy: 0.7485456048366999

minimum gb energy = 0.7242912124956588 eV
minimum distance =  2.65320967318843 Angstroms
sigma value = 3


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

Energy: 2.224856244899541
Energy: 2.186468502933744
Energy: 1.6904432220001613
Energy: 2.186468502933744
Energy: 2.224856244899541
Energy: 2.186468502933744
Energy: 2.6807842983374837
Energy: 1.7878063722505526
Energy: 1.6374495081719669
Energy: 1.7878063722505526
Energy: 2.6807842983374837
Energy: 1.7878063722505526
Energy: 2.0792318605177744
Energy: 2.146459696717496
Energy: 1.792711472144332
Energy: 2.146459696717496
Energy: 2.0792318605177744
Energy: 2.146459696717496
Energy: 2.515247169899718
Energy: 1.9278160692881063
Energy: 1.6513662382745935
Energy: 1.9278160692881063
Energy: 2.515247169899718
Energy: 1.9278160692881063
Energy: 1.9411786799302475
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Energy: 1.6436791580636125
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Energy: 1.7350025460088543
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Energy: 1.9309867602644637
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Energy: 2.1202355995085536
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Energy: 2.1200986457993243
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Energy: 2.1877461347268037
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Energy: 2.1877461347268037
Energy: 2.090006466891081
Energy: 2.2168727397866563
Energy: 2.094251115640025
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Energy: 2.187781957783681
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Energy: 2.1710514087534003
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Energy: 1.696856273098066
Energy: 1.952061937870328
Energy: 2.1826095911314103
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Energy: 1.696856273098066
Energy: 1.952061937870328
Energy: 1.6956543994007924
Energy: 2.086943344256763
Energy: 1.9328154618545237
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Energy: 1.6956543994007924
Energy: 2.086943344256763
Energy: 1.6437006549292619
Energy: 1.8929776678749808
Energy: 2.184590714958048
Energy: 1.8929776678749808
Energy: 1.6437006549292619
Energy: 1.8929776678749808
Energy: 1.6895813200931844
Energy: 2.1310882768672696
Energy: 2.184103343993798
Energy: 2.1310882768672696
Energy: 1.6895813200931844
Energy: 2.1310882768672696
Energy: 1.646107220096449
Energy: 1.874980202626216
Energy: 2.4547435830547135
Energy: 1.874980202626216
Energy: 1.646107220096449
Energy: 1.874980202626216
Energy: 1.6473046459579626
Energy: 2.15447982604238
Energy: 2.1357772554962073
Energy: 2.15447982604238
Energy: 1.6473046459579626
Energy: 2.15447982604238
Energy: 1.6415894837574097
Energy: 1.6485714015331565
Energy: 2.38614897554535
Energy: 1.6485714015331565
Energy: 1.6415894837574097
Energy: 1.6485714015331565
Energy: 1.6918081585839952
Energy: 2.1307622134004904
Energy: 2.1844163959933387
Energy: 2.1307622134004904
Energy: 1.6918081585839952
Energy: 2.1307622134004904
Energy: 1.6546196647366425
Energy: 1.6454837756935083
Energy: 2.3557622821689885
Energy: 1.6454837756935083
Energy: 1.6546196647366425
Energy: 1.6454837756935083
Energy: 1.6784903052355953
Energy: 2.087024398137768
Energy: 1.9333775523911447
Energy: 2.087024398137768
Energy: 1.6784903052355953
Energy: 2.087024398137768
Energy: 1.707651570514854
Energy: 1.9545676781261698
Energy: 2.0594937595064646
Energy: 1.9545676781261698
Energy: 1.707651570514854
Energy: 1.9545676781261698
Energy: 1.8990560065166997
Energy: 2.0625149880265186
Energy: 1.905311438220492
Energy: 2.0625149880265186
Energy: 1.8990560065166997
Energy: 2.0625149880265186

minimum gb energy = 1.6243932841210775 eV
minimum distance =  2.37606775676513 Angstroms
sigma value = 81


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

Energy: 2.251888993988215
Energy: 2.4262554770746143
Energy: 2.4674804879597323
Energy: 2.4262554770746143
Energy: 2.251888993988215
Energy: 2.4262554770746143
Energy: 2.6003652698687634
Energy: 1.9935405706772478
Energy: 1.7861742836413368
Energy: 1.9935405706772478
Energy: 2.6003652698687634
Energy: 1.9935405706772478
Energy: 2.1785477893091785
Energy: 2.362165692884804
Energy: 1.8298892909281093
Energy: 2.362165692884804
Energy: 2.1785477893091785
Energy: 2.362165692884804
Energy: 2.3824768176564857
Energy: 1.8876816714348557
Energy: 1.8088317208147655
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Energy: 2.3824768176570936
Energy: 1.8876816714348557
Energy: 1.938688767593488
Energy: 2.262327261349506
Energy: 1.930303062865829
Energy: 2.262327261348898
Energy: 1.938688767593488
Energy: 2.262327261348898
Energy: 2.002700281345096
Energy: 2.2068495086486566
Energy: 1.871088533159795
Energy: 2.2068495086486566
Energy: 2.002700281345096
Energy: 2.2068495086486566
Energy: 1.8796678571833485
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Energy: 2.020891584849903
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Energy: 1.8796678571833485
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Energy: 1.836027195332715
Energy: 2.232032932282057
Energy: 1.9307634117949766
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Energy: 1.836027195332715
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Energy: 1.7628903841941823
Energy: 2.3649284084755666
Energy: 2.1448656955687055
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Energy: 1.7628903841941823
Energy: 2.3649284084755666
Energy: 1.7902745236648252
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Energy: 2.445622222458336
Energy: 2.1619450307327006
Energy: 1.7902745236648252
Energy: 2.1619450307327006
Energy: 1.8442182812287495
Energy: 2.3357484737019645
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Energy: 2.3357484737019645
Energy: 1.8442182812287495
Energy: 2.3357484737019645
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Energy: 2.22782621766489
Energy: 2.1558840353619497
Energy: 2.2278262176642825
Energy: 1.8427139287910297
Energy: 2.22782621766489
Energy: 1.8650240612236895
Energy: 2.3512199361846
Energy: 1.9309076231102387
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Energy: 1.8650240612236895
Energy: 2.3512199361846
Energy: 1.8630342899705343
Energy: 2.207800403863643
Energy: 2.083406928749074
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Energy: 1.8630342899705343
Energy: 2.207800403863643
Energy: 2.14376018864491
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Energy: 2.14376018864491
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Energy: 2.1439218329974006
Energy: 2.3173767422355303
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Energy: 2.3173767422355303
Energy: 2.1439218329974006
Energy: 2.3173767422355303
Energy: 2.178149593615538
Energy: 2.314989280689519
Energy: 1.8090627157146588
Energy: 2.314989280689519
Energy: 2.178149593615538
Energy: 2.314989280689519
Energy: 2.178441230564626
Energy: 2.354854385070761
Energy: 1.9110310780738067
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Energy: 2.354854385070761
Energy: 2.5503070999213526
Energy: 2.1850661416845845
Energy: 1.7835602112387534
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Energy: 2.5503070999213526
Energy: 2.1850661416845845
Energy: 2.5505029816724356
Energy: 2.240750427248036
Energy: 1.7736956957794334
Energy: 2.2407504272486443
Energy: 2.5505029816724356
Energy: 2.240750427248036
Energy: 2.1783533307264435
Energy: 2.342718105680977
Energy: 1.8987712979018168
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Energy: 2.1783533307264435
Energy: 2.342718105680977
Energy: 2.1782524823207305
Energy: 2.314450566831881
Energy: 1.8004516396849197
Energy: 2.314450566831881
Energy: 2.1782524823207305
Energy: 2.314450566831881
Energy: 2.143896838679881
Energy: 2.3227003242111603
Energy: 1.829622907354886
Energy: 2.3227003242111603
Energy: 2.1438968386804613
Energy: 2.3227003242111603
Energy: 2.1436670628186674
Energy: 2.259711082273831
Energy: 1.8712032670943888
Energy: 2.259711082273831
Energy: 2.1436670628186674
Energy: 2.259711082273831
Energy: 1.8637990881931712
Energy: 2.2078313357312114
Energy: 1.9799630403085702
Energy: 2.2078313357312114
Energy: 1.8637990881931712
Energy: 2.2078313357312114
Energy: 1.8648866569554439
Energy: 2.3150493664334717
Energy: 1.9306254991441425
Energy: 2.3150493664334717
Energy: 1.8648866569554439
Energy: 2.3150493664334717
Energy: 1.8432191106201794
Energy: 2.2278262176642825
Energy: 2.1556117729951807
Energy: 2.2278262176642825
Energy: 1.8432191106201794
Energy: 2.2278262176642825
Energy: 1.843974677697136
Energy: 2.3352752484035815
Energy: 2.1727741063421697
Energy: 2.3352752484035815
Energy: 1.843974677697136
Energy: 2.3352752484035815
Energy: 1.790942489091622
Energy: 2.1739138870730077
Energy: 2.3515313853822772
Energy: 2.1739138870730077
Energy: 1.790942489091622
Energy: 2.1739138870730077
Energy: 1.7858493323045466
Energy: 2.3653189948648072
Energy: 2.1448927129594906
Energy: 2.3653189948648072
Energy: 1.7858493323045466
Energy: 2.3653189948648072
Energy: 1.7832605111212427
Energy: 1.962972828147139
Energy: 2.4390270689053692
Energy: 1.962972828147139
Energy: 1.7832605111212427
Energy: 1.962972828147139
Energy: 1.8535723427201847
Energy: 2.3355162670258736
Energy: 2.172871190666555
Energy: 2.3355162670258736
Energy: 1.8535723427201847
Energy: 2.3355162670258736
Energy: 1.8098409287617065
Energy: 2.002147204394
Energy: 2.2154393125207337
Energy: 2.002147204394
Energy: 1.8098409287617065
Energy: 2.002147204394
Energy: 1.8364555697366631
Energy: 2.2324233454342934
Energy: 1.9306422158139884
Energy: 2.2324233454342934
Energy: 1.8364555697366631
Energy: 2.2324233454342934
Energy: 1.8796125238983423
Energy: 2.207099277858974
Energy: 2.0132459361442545
Energy: 2.207099277858974
Energy: 1.87961252389895
Energy: 2.207099277858974

minimum gb energy = 1.7628903841941823 eV
minimum distance =  2.30728545662649 Angstroms
sigma value = 43


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

Energy: 2.2625511009259713
Energy: 2.5140590709590644
Energy: 1.8705574405594694
Energy: 2.5140590709590644
Energy: 2.2625511009259713
Energy: 2.5140590709590644
Energy: 2.5270867247257214
Energy: 2.3751255515356764
Energy: 1.883949554652191
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Energy: 2.5270867247257214
Energy: 2.3751255515356764
Energy: 2.0051226865250005
Energy: 2.3904918972454174
Energy: 1.8337748829884475
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Energy: 2.0051226865250005
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Energy: 2.2636705119503095
Energy: 1.866857737223951
Energy: 1.884061050531454
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Energy: 2.2636705119510565
Energy: 1.866857737223951
Energy: 1.9067748926773425
Energy: 2.330468223278353
Energy: 1.9637296150435526
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Energy: 2.330468223278353
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Energy: 2.331860902841632
Energy: 1.899556709842636
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Energy: 1.9981053130372086
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Energy: 1.8745730323850927
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Energy: 1.8556391779854757
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Energy: 2.4786966706132376
Energy: 1.8871964072099958
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Energy: 1.8343547255009391
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Energy: 1.9981502134812248
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Energy: 1.8343547255009391
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Energy: 1.8559027091193325
Energy: 1.8363291007575253
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Energy: 1.8363291007575253
Energy: 1.8559027091193325
Energy: 1.8363291007575253
Energy: 1.865661117904264
Energy: 2.449976939491646
Energy: 1.899645842440799
Energy: 2.449976939491646
Energy: 1.865661117904264
Energy: 2.449976939491646
Energy: 1.8877319383789868
Energy: 2.3314515988359314
Energy: 1.8348925874355293
Energy: 2.3314515988359314
Energy: 1.8877319383789868
Energy: 2.3314515988359314
Energy: 2.2120056040054785
Energy: 2.12515240976095
Energy: 1.883905590349099
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Energy: 2.2120056040054785
Energy: 2.12515240976095
Energy: 2.208562020458648
Energy: 2.3606612267276996
Energy: 2.1455099166356386
Energy: 2.3606612267276996
Energy: 2.208562020458648
Energy: 2.3606612267276996
Energy: 2.272270131323179
Energy: 2.449761146084372
Energy: 1.853293755830293
Energy: 2.449761146084372
Energy: 2.272270131323179
Energy: 2.449761146084372
Energy: 2.26770364683481
Energy: 2.449946367314337
Energy: 1.853222096518945
Energy: 2.449946367314337
Energy: 2.26770364683481
Energy: 2.449946367314337
Energy: 2.212175480127173
Energy: 2.4168462938291038
Energy: 1.8845256012757972
Energy: 2.4168462938291038
Energy: 2.212175480127173
Energy: 2.4168462938291038
Energy: 2.2086704663901355
Energy: 2.573355609300605
Energy: 1.8841514964028705
Energy: 2.573355609300605
Energy: 2.2086704663901355
Energy: 2.573355609300605
Energy: 1.866509377747688
Energy: 2.3325691205216392
Energy: 1.8378209569159054
Energy: 2.3325691205216392
Energy: 1.866509377747688
Energy: 2.3325691205216392
Energy: 1.8889244666705163
Energy: 2.4503483664190107
Energy: 1.896951096295428
Energy: 2.4503483664190107
Energy: 1.8889244666705163
Energy: 2.4503483664190107
Energy: 1.8496071344117044
Energy: 2.3356670935671735
Energy: 1.8694297562287228
Energy: 2.3356670935671735
Energy: 1.8496071344117044
Energy: 2.3356670935671735
Energy: 1.8581565277569116
Energy: 2.571851213453603
Energy: 1.9952007928757733
Energy: 2.571851213453603
Energy: 1.8581565277569116
Energy: 2.571851213453603
Energy: 1.8868186900110933
Energy: 2.4157755025580254
Energy: 2.204851438794961
Energy: 2.4157755025580254
Energy: 1.8868186900110933
Energy: 2.4157755025580254
Energy: 1.8568008103351767
Energy: 2.479018304628256
Energy: 2.261564393566558
Energy: 2.47901830462751
Energy: 1.8568008103351767
Energy: 2.479018304628256
Energy: 1.8550906255838997
Energy: 2.447344595127117
Energy: 2.261229984889007
Energy: 2.447344595127117
Energy: 1.8550906255838997
Energy: 2.447344595127117
Energy: 1.8761325193787288
Energy: 2.3595689448973265
Energy: 1.9956395724263616
Energy: 2.3595689448973265
Energy: 1.8761325193787288
Energy: 2.3595689448973265
Energy: 1.8862418047980978
Energy: 1.8655657079054235
Energy: 2.2102994417620567
Energy: 1.8655657079054235
Energy: 1.8862418047980978
Energy: 1.8655657079054235
Energy: 1.8361887603361868
Energy: 2.330847314300815
Energy: 1.8965346177867846
Energy: 2.3308473143015616
Energy: 1.8361887603361868
Energy: 2.3308473143015616

minimum gb energy = 1.8337748829884475 eV
minimum distance =  2.31350891433468 Angstroms
sigma value = 57


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

Energy: 2.1472723968665055
Energy: 2.6288482651674956
Energy: 1.9364082107000788
Energy: 2.6288482651674956
Energy: 2.1472723968665055
Energy: 2.6288482651674956
Energy: 2.262595861136017
Energy: 2.6143469731892046
Energy: 1.992450105894401
Energy: 2.6143469731892046
Energy: 2.262595861136017
Energy: 2.6143469731892046
Energy: 2.0055818073296723
Energy: 2.588314980943624
Energy: 2.292794840470776
Energy: 2.588314980943624
Energy: 2.0055818073296723
Energy: 2.588314980943624
Energy: 1.9644209193182107
Energy: 1.956695478300585
Energy: 1.992377989880623
Energy: 1.956695478300585
Energy: 1.9644209193182107
Energy: 1.956695478300585
Energy: 1.9949068067252165
Energy: 1.9612359921241773
Energy: 1.97027962947841
Energy: 1.9612359921241773
Energy: 1.9949068067252165
Energy: 1.9612359921241773
Energy: 1.935409530261592
Energy: 2.5608014972763495
Energy: 2.0026438078830253
Energy: 2.5608014972763495
Energy: 1.935409530261592
Energy: 2.5608014972763495
Energy: 1.949490486859377
Energy: 2.2867278154956723
Energy: 2.2583158378580253
Energy: 2.2867278154956723
Energy: 1.949490486859377
Energy: 2.2867278154956723
Energy: 1.9525885621185324
Energy: 2.6061828625511403
Energy: 2.143277974232013
Energy: 2.6061828625511403
Energy: 1.9525885621194992
Energy: 2.6061828625511403
Energy: 1.9953053728757897
Energy: 2.6187055110222883
Energy: 2.194109836940147
Energy: 2.6187055110222883
Energy: 1.9953053728757897
Energy: 2.6187055110222883
Energy: 1.9393128893701335
Energy: 2.63092089911768
Energy: 2.0024082789085673
Energy: 2.63092089911768
Energy: 1.9393128893701335
Energy: 2.63092089911768
Energy: 1.9503662298586826
Energy: 1.9460155519954592
Energy: 1.9371144799460471
Energy: 1.9460155519954592
Energy: 1.9503662298586826
Energy: 1.9460155519954592
Energy: 1.9838173370305694
Energy: 2.3135541518923874
Energy: 1.9921748066755347
Energy: 2.3135541518923874
Energy: 1.9838173370305694
Energy: 2.3135541518923874
Energy: 1.9953620984684526
Energy: 2.5599491240102665
Energy: 1.9573918151535694
Energy: 2.5599491240102665
Energy: 1.9953620984684526
Energy: 2.5599491240102665
Energy: 2.435130639944218
Energy: 2.631453987316918
Energy: 1.9470208532498574
Energy: 2.631453987316918
Energy: 2.435130639944218
Energy: 2.631453987316918
Energy: 2.441036077856264
Energy: 2.606655426859145
Energy: 1.9495709282509788
Energy: 2.606655426859145
Energy: 2.441036077856264
Energy: 2.606655426859145
Energy: 1.982930158665527
Energy: 2.560949894469945
Energy: 1.9931488377123527
Energy: 2.560949894469945
Energy: 1.9829301586664938
Energy: 2.560949894469945
Energy: 1.995752624883538
Energy: 2.3130289858373523
Energy: 1.950985130689812
Energy: 2.3130289858373523
Energy: 1.995752624883538
Energy: 2.3130289858373523
Energy: 1.9374112513079829
Energy: 2.6461889684868516
Energy: 1.9370897685526616
Energy: 2.6461889684868516
Energy: 1.9374112513079829
Energy: 2.6461889684868516
Energy: 1.9509566736202402
Energy: 2.3128381455905576
Energy: 1.9957524572847236
Energy: 2.3128381455905576
Energy: 1.9509566736202402
Energy: 2.3128381455905576
Energy: 1.9932101026274118
Energy: 2.560951798182615
Energy: 1.9831208171560883
Energy: 2.560951798182615
Energy: 1.9932101026274118
Energy: 2.560951798182615
Energy: 1.9495324206418776
Energy: 2.606625242244942
Energy: 2.441021632823974
Energy: 2.606625242244942
Energy: 1.9495324206418776
Energy: 2.606625242244942
Energy: 1.9470516406552598
Energy: 2.56091881350039
Energy: 2.434933979144045
Energy: 2.56091881350039
Energy: 1.9470516406552598
Energy: 2.56091881350039
Energy: 1.9931618014946388
Energy: 2.5599484421178604
Energy: 1.9954175066862434
Energy: 2.5599484421178604
Energy: 1.9931618014946388
Energy: 2.5599484421178604
Energy: 1.9921894440402985
Energy: 2.3132536257854355
Energy: 1.9836647454835281
Energy: 2.3132536257854355
Energy: 1.9921894440402985
Energy: 2.3132536257854355

minimum gb energy = 1.935409530261592 eV
minimum distance =  2.32668769645861 Angstroms
sigma value = 17


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

Energy: 2.1050240405365153
Energy: 2.1064333236482216
Energy: 2.073991401062447
Energy: 2.1064333236482216
Energy: 2.1050240405365153
Energy: 2.1064333236482216
Energy: 2.1257220313092837
Energy: 2.0211293475684378
Energy: 2.0201795741830937
Energy: 2.0211293475684378
Energy: 2.1257220313092837
Energy: 2.0211293475684378
Energy: 2.0156273407907364
Energy: 2.0160708236329596
Energy: 2.0240769480589513
Energy: 2.0160708236329596
Energy: 2.0156273407907364
Energy: 2.0160708236329596
Energy: 2.072098183893597
Energy: 2.0170474645153513
Energy: 2.0161345689780594
Energy: 2.0170474645153513
Energy: 2.072098183893597
Energy: 2.0170474645153513
Energy: 2.0188127742217943
Energy: 2.018973663301082
Energy: 2.128612596760894
Energy: 2.018973663301082
Energy: 2.0188127742204274
Energy: 2.018973663301082
Energy: 2.021455722185545
Energy: 2.10674521242995
Energy: 2.10613751221404
Energy: 2.10674521242995
Energy: 2.021455722185545
Energy: 2.10674521242995
Energy: 2.0246229292269198
Energy: 2.932795523000192
Energy: 2.1286681280665767
Energy: 2.932795522998825
Energy: 2.0246229292269198
Energy: 2.932795522998825
Energy: 2.0185183122295687
Energy: 2.5855454275719465
Energy: 2.0163711805432043
Energy: 2.5855454275719465
Energy: 2.0185183122295687
Energy: 2.5855454275719465
Energy: 2.0190235404864745
Energy: 2.018634556602502
Energy: 2.0497167042566096
Energy: 2.018634556602502
Energy: 2.0190235404864745
Energy: 2.018634556602502
Energy: 2.114661470884922
Energy: 2.041490737738105
Energy: 2.020437863362225
Energy: 2.041490737738105
Energy: 2.114661470884922
Energy: 2.041490737738105
Energy: 2.1113181907132583
Energy: 2.824092599967607
Energy: 2.0213813039069537
Energy: 2.824092599967607
Energy: 2.1113181907132583
Energy: 2.824092599967607
Energy: 2.021304382769005
Energy: 2.4816883007905957
Energy: 2.0291092238170365
Energy: 2.4816883007905957
Energy: 2.021304382769005
Energy: 2.4816883007905957
Energy: 2.0188910949795233
Energy: 2.3550603209250287
Energy: 2.021466158877485
Energy: 2.3550603209250287
Energy: 2.0188910949795233
Energy: 2.3550603209250287
Energy: 2.0217351822657066
Energy: 2.0213810510806987
Energy: 2.024549816181878
Energy: 2.0213810510806987
Energy: 2.0217351822657066
Energy: 2.0213810510806987
Energy: 2.024833819315062
Energy: 2.4816239855232416
Energy: 2.125041214659226
Energy: 2.4816239855232416
Energy: 2.024833819315062
Energy: 2.4816239855232416
Energy: 2.027616711170588
Energy: 2.823961956746896
Energy: 2.1170019718513258
Energy: 2.823961956746896
Energy: 2.027616711170588
Energy: 2.823961956746896
Energy: 2.0204861890568937
Energy: 2.024311198215594
Energy: 2.019794506173369
Energy: 2.024311198215594
Energy: 2.0204861890568937
Energy: 2.024311198215594

minimum gb energy = 2.0156273407907364 eV
minimum distance =  2.32614833496605 Angstroms
sigma value = 17


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

Energy: 2.4872116988999804
Energy: 2.936619149807346
Energy: 2.201885462312357
Energy: 2.936619149807346
Energy: 2.4872116988999804
Energy: 2.936619149807346
Energy: 2.4124357317647074
Energy: 2.038888128111104
Energy: 2.051206796493425
Energy: 2.038888128111104
Energy: 2.4124357317647074
Energy: 2.038888128111104
Energy: 2.0758596220129566
Energy: 2.129997108644867
Energy: 2.4069913614569445
Energy: 2.129997108644867
Energy: 2.0758596220129566
Energy: 2.129997108644867
Energy: 2.291224640923399
Energy: 2.0463409124004404
Energy: 2.1588249386381486
Energy: 2.0463409124004404
Energy: 2.291224640923399
Energy: 2.0463409124014964
Energy: 2.0543383274990723
Energy: 2.0535040345204774
Energy: 2.421276463244152
Energy: 2.0535040345204774
Energy: 2.0543383274990723
Energy: 2.0535040345204774
Energy: 2.127147589605449
Energy: 2.0784196486926305
Energy: 2.214430690302817
Energy: 2.0784196486926305
Energy: 2.127147589604921
Energy: 2.0784196486926305
Energy: 2.0521526440950892
Energy: 2.1244262216038314
Energy: 2.318382101907411
Energy: 2.1244262216038314
Energy: 2.0521526440950892
Energy: 2.1244262216038314
Energy: 2.451792245092129
Energy: 2.0453723677421967
Energy: 2.046309843818569
Energy: 2.0453723677421967
Energy: 2.451792245091601
Energy: 2.0453723677421967
Energy: 2.2175961449910226
Energy: 2.0796439536312663
Energy: 2.0441604212675406
Energy: 2.0796439536312663
Energy: 2.2175961449910226
Energy: 2.0796439536312663
Energy: 2.4249559679631654
Energy: 2.0904091362903983
Energy: 2.059773902352241
Energy: 2.0904091362914543
Energy: 2.4249559679631654
Energy: 2.075760855154267
Energy: 2.162289044132567
Energy: 2.5374863801983785
Energy: 2.1314903515679346
Energy: 2.5374863801983785
Energy: 2.162289044132567
Energy: 2.5374863801983785
Energy: 2.0414126137714796
Energy: 2.040344448138455
Energy: 2.0925653142448986
Energy: 2.0403444481379274
Energy: 2.0414126137714796
Energy: 2.0403444481379274
Energy: 2.056825334029829
Energy: 2.0608190854808583
Energy: 2.4908879275705784
Energy: 2.0608190854808583
Energy: 2.056825334029829
Energy: 2.0608190854808583
Energy: 2.040107412634564
Energy: 2.921711667822164
Energy: 2.5020310355305337
Energy: 2.921711667822164
Energy: 2.040107412634564
Energy: 2.921711667822692
Energy: 2.0399237196892277
Energy: 2.5059458389790956
Energy: 2.1301511243638878
Energy: 2.5059458389790956
Energy: 2.0399237196892277
Energy: 2.5059458389790956
Energy: 2.1863420152230435
Energy: 2.5550804780519116
Energy: 2.0931227304830955
Energy: 2.5550804780519116
Energy: 2.1863420152230435
Energy: 2.5550804780519116
Energy: 2.175763957027853
Energy: 2.050079254420357
Energy: 2.05037569691959
Energy: 2.050079254420357
Energy: 2.175763957027853
Energy: 2.050079254420357
Energy: 2.443356446115433
Energy: 2.5812318601441486
Energy: 2.048220270370259
Energy: 2.5812318601441486
Energy: 2.443356446115433
Energy: 2.5812318601441486
Energy: 2.3368410994387494
Energy: 2.536000487073695
Energy: 2.0465623675589946
Energy: 2.5360004870742228
Energy: 2.3368410994387494
Energy: 2.5360004870742228
Energy: 2.046371704441125
Energy: 2.507490068614722
Energy: 2.04640314538604
Energy: 2.507490068614722
Energy: 2.046371704441125
Energy: 2.507490068614722
Energy: 2.046522480683383
Energy: 2.5359664905831774
Energy: 2.3381823779802686
Energy: 2.53596649058265
Energy: 2.0465224806823277
Energy: 2.53596649058265
Energy: 2.04821157738843
Energy: 2.5810834842143793
Energy: 2.44318456014135
Energy: 2.5810834842143793
Energy: 2.04821157738843
Energy: 2.5810834842143793
Energy: 2.03985834593114
Energy: 2.049617201416725
Energy: 2.1759227357158526
Energy: 2.049617201416725
Energy: 2.03985834593114
Energy: 2.049617201416725
Energy: 2.0928722337253345
Energy: 2.6612869450539565
Energy: 2.185079088201546
Energy: 2.6612869450539565
Energy: 2.0928722337253345
Energy: 2.6612869450539565
Energy: 2.130044734101366
Energy: 2.506061153305752
Energy: 2.039742582045482
Energy: 2.506061153305752
Energy: 2.130044734101366
Energy: 2.506061153305752
Energy: 2.502023408561377
Energy: 2.9214835722921513
Energy: 2.0401345060260088
Energy: 2.9214835722921513
Energy: 2.502023408561377
Energy: 2.9214835722921513
Energy: 2.490034091241556
Energy: 2.0608094930058196
Energy: 2.056819049869461
Energy: 2.0608094930058196
Energy: 2.490034091241556
Energy: 2.0608094930058196
Energy: 2.092578077881203
Energy: 2.040777990200334
Energy: 2.0413182225938082
Energy: 2.040777990200862
Energy: 2.092578077881203
Energy: 2.040777990200862
Energy: 2.1314158020522034
Energy: 2.537047177720783
Energy: 2.1628316319738627
Energy: 2.537047177720783
Energy: 2.1314158020522034
Energy: 2.537047177720783
Energy: 2.059678325676011
Energy: 2.077980634154622
Energy: 2.4248605282725237
Energy: 2.0581440953631165
Energy: 2.059678325676011
Energy: 2.0779806341551503
Energy: 2.0440581864182326
Energy: 2.079408376728528
Energy: 2.2173946614576723
Energy: 2.079408376728528
Energy: 2.0440581864182326
Energy: 2.079408376728528
Energy: 2.0463154779205746
Energy: 2.0455427454661845
Energy: 2.4514986746432297
Energy: 2.0455427454661845
Energy: 2.0463154779205746
Energy: 2.0455427454661845
Energy: 2.3184336476756684
Energy: 2.1246775721679665
Energy: 2.052184505973909
Energy: 2.1246775721679665
Energy: 2.3184336476756684
Energy: 2.1246775721679665
Energy: 2.213871210291442
Energy: 2.078479270177915
Energy: 2.1269332119173865
Energy: 2.078479270177915
Energy: 2.213871210291442
Energy: 2.078479270177915
Energy: 2.4132329211511987
Energy: 2.0535040345204774
Energy: 2.0543440325852402
Energy: 2.0535040345204774
Energy: 2.4132329211511987
Energy: 2.0535040345204774
Energy: 2.1589398129649244
Energy: 2.0465770240710714
Energy: 2.2913529112904976
Energy: 2.0465770240710714
Energy: 2.1589398129649244
Energy: 2.0465770240710714
Energy: 2.4069052056073574
Energy: 2.1286643900923172
Energy: 2.0758618190365636
Energy: 2.1286643900923172
Energy: 2.4069052056073574
Energy: 2.1286643900923172
Energy: 2.051186460171389
Energy: 2.0388691374813046
Energy: 2.412442302350483
Energy: 2.0388691374818326
Energy: 2.051186460171389
Energy: 2.0388691374818326
Energy: 2.2018854689199485
Energy: 2.936619149807346
Energy: 2.4872116988999804
Energy: 2.936619149807346
Energy: 2.201885477146585
Energy: 2.936619149807346
Energy: 2.051206796493425
Energy: 2.038888128111632
Energy: 2.4124357317647074
Energy: 2.038888128111632
Energy: 2.051206796493425
Energy: 2.038888128111632
Energy: 2.4069913614569445
Energy: 2.1299971086438108
Energy: 2.0758596220124286
Energy: 2.1299971086438108
Energy: 2.4069913614569445
Energy: 2.1299971086438108
Energy: 2.15882493863762
Energy: 2.0463409124014964
Energy: 2.291224640923399
Energy: 2.0463409124014964
Energy: 2.15882493863762
Energy: 2.0463409124004404
Energy: 2.4212764632446806
Energy: 2.0535040345199738
Energy: 2.0543383274990723
Energy: 2.0535040345204774
Energy: 2.4212764632446806
Energy: 2.0535040345204774

minimum gb energy = 2.0388691374813046 eV
minimum distance =  2.24748258821936 Angstroms
sigma value = 57


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

Energy: 2.207212291703823
Energy: 2.032068720900788
Energy: 2.5967095805878597
Energy: 2.032068720900788
Energy: 2.2072122917029633
Energy: 2.032068720900788
Energy: 2.2283772323324302
Energy: 2.006383355363976
Energy: 2.007028244581173
Energy: 2.006383355363976
Energy: 2.2283772323324302
Energy: 2.006383355363976
Energy: 2.0283930321597294
Energy: 2.1198957887791936
Energy: 2.1561505407742048
Energy: 2.1198957887791936
Energy: 2.0283930321597294
Energy: 2.1198957887791936
Energy: 2.435376344313931
Energy: 2.136234140517758
Energy: 2.136578840708082
Energy: 2.136234140517758
Energy: 2.435376344313931
Energy: 2.136234140517758
Energy: 2.034114359533899
Energy: 2.033467273816489
Energy: 2.2501352739253733
Energy: 2.033467273816489
Energy: 2.034114359533899
Energy: 2.033467273816489
Energy: 2.1220844485183017
Energy: 2.1360095186709676
Energy: 2.136323457392787
Energy: 2.1360095186709676
Energy: 2.122084448517442
Energy: 2.1360095186709676
Energy: 2.0340044607621666
Energy: 2.122109718844373
Energy: 2.0081779332680405
Energy: 2.122109718843513
Energy: 2.0340044607621666
Energy: 2.122109718843513
Energy: 2.456146958959844
Energy: 2.067575609647107
Energy: 2.006685043532444
Energy: 2.067575609647107
Energy: 2.4561469589589846
Energy: 2.067575609647107
Energy: 2.211260172985146
Energy: 2.029724956272478
Energy: 2.0099651737397415
Energy: 2.029724956272478
Energy: 2.211260172985146
Energy: 2.029724956272478
Energy: 2.1653939269890934
Energy: 2.0069287408453302
Energy: 2.0085119956108537
Energy: 2.0069287408453302
Energy: 2.1653939269890934
Energy: 2.0069287408453302
Energy: 2.034058760207383
Energy: 2.0297971850025323
Energy: 2.138142346586442
Energy: 2.0297971850025323
Energy: 2.0340587602065234
Energy: 2.0297971850025323
Energy: 2.0361406765438232
Energy: 2.1389815239378103
Energy: 2.145446786792796
Energy: 2.1389815239378103
Energy: 2.0361406765438232
Energy: 2.1389815239378103
Energy: 2.046342068993851
Energy: 2.5459729642105025
Energy: 2.1377138662160795
Energy: 2.5459729642105025
Energy: 2.046342068993851
Energy: 2.5459729642105025
Energy: 2.1204793457778637
Energy: 2.1044200864967735
Energy: 2.1452088193095453
Energy: 2.1044200864967735
Energy: 2.1204793457778637
Energy: 2.1044200864967735
Energy: 2.051565723467984
Energy: 2.1260877523997515
Energy: 2.005670192069179
Energy: 2.1260877523997515
Energy: 2.051565723467984
Energy: 2.1260877523997515
Energy: 2.669076613736063
Energy: 2.1140720077131436
Energy: 2.0165608228491116
Energy: 2.1140720077131436
Energy: 2.669076613736922
Energy: 2.1140720077131436
Energy: 2.223507271596702
Energy: 2.031903287363454
Energy: 2.007325487094147
Energy: 2.0319032873643144
Energy: 2.2235072715975615
Energy: 2.0319032873643144
Energy: 2.121016607698206
Energy: 2.007572594047178
Energy: 2.00577835069305
Energy: 2.007572594047178
Energy: 2.121016607698206
Energy: 2.007572594047178
Energy: 2.0515458478356137
Energy: 2.0282239232353776
Energy: 2.136871263024994
Energy: 2.0282239232353776
Energy: 2.0515458478356137
Energy: 2.0282239232353776
Energy: 2.13259300109164
Energy: 2.0060215402534296
Energy: 2.1621048692183042
Energy: 2.0060215402534296
Energy: 2.13259300109164
Energy: 2.0060215402534296
Energy: 2.03566022303518
Energy: 2.00594000186616
Energy: 2.136626060303139
Energy: 2.00594000186616
Energy: 2.03566022303518
Energy: 2.00594000186616
Energy: 2.0301338585231323
Energy: 2.029951110344709
Energy: 2.161667520649957
Energy: 2.029951110344709
Energy: 2.0301338585231323
Energy: 2.029951110345569
Energy: 2.0303088247775944
Energy: 2.547605981830842
Energy: 2.0061934606177307
Energy: 2.547605981830842
Energy: 2.0303088247775944
Energy: 2.547605981830842
Energy: 2.231797770108745
Energy: 2.0287584086083688
Energy: 2.007190451460077
Energy: 2.0287584086083688
Energy: 2.231797770108745
Energy: 2.0287584086083688
Energy: 2.242053857399882
Energy: 2.5690020299406973
Energy: 2.0061786567281983
Energy: 2.5690020299406973
Energy: 2.242053857399882
Energy: 2.5690020299406973
Energy: 2.030380022466507
Energy: 2.1282102290497504
Energy: 2.0067098588101158
Energy: 2.1282102290497504
Energy: 2.030380022466507
Energy: 2.1282102290497504
Energy: 2.0304815205135243
Energy: 2.0292317279401044
Energy: 2.1527031896032782
Energy: 2.0292317279401044
Energy: 2.0304815205135243
Energy: 2.0292317279401044

minimum gb energy = 2.005670192069179 eV
minimum distance =  2.33045111732941 Angstroms
sigma value = 43


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

Energy: 2.2982949586834964
Energy: 2.091738197723982
Energy: 2.6456397907532954
Energy: 2.091738197724608
Energy: 2.2982949586828845
Energy: 2.091738197724608
Energy: 2.2312093756205478
Energy: 2.02377516685052
Energy: 2.038377532522198
Energy: 2.02377516685052
Energy: 2.231209375621174
Energy: 2.02377516685052
Energy: 2.037820506737905
Energy: 2.135067863481411
Energy: 2.4466713592897946
Energy: 2.135067863481411
Energy: 2.037820506737905
Energy: 2.135067863481411
Energy: 2.0785760297427314
Energy: 2.037032168767283
Energy: 2.2020535619864217
Energy: 2.037032168767283
Energy: 2.0785760297427314
Energy: 2.037032168767283
Energy: 2.0408566478784227
Energy: 2.0456570256698763
Energy: 2.2588436489875696
Energy: 2.0456570256698763
Energy: 2.0408566478784227
Energy: 2.0456570256698763
Energy: 2.1493129608411667
Energy: 2.147019152422443
Energy: 2.093086369288977
Energy: 2.147019152422443
Energy: 2.149312960841793
Energy: 2.147019152422443
Energy: 2.0961730177015085
Energy: 2.1477561994615613
Energy: 2.0233603552447814
Energy: 2.1477561994615613
Energy: 2.0961730177015085
Energy: 2.1477561994615613
Energy: 2.316209033104802
Energy: 2.049191243715488
Energy: 2.0426210072405384
Energy: 2.049191243715488
Energy: 2.316209033104802
Energy: 2.049191243715488
Energy: 2.204095068379233
Energy: 2.037702620188449
Energy: 2.135417107856724
Energy: 2.037702620188449
Energy: 2.204095068379233
Energy: 2.037702620188449
Energy: 2.2609184819570456
Energy: 2.1352457522897437
Energy: 2.0380818594595542
Energy: 2.1352457522897437
Energy: 2.2609184819570456
Energy: 2.1352457522897437
Energy: 2.0415265147549153
Energy: 2.0800895370031474
Energy: 2.7057457629497734
Energy: 2.0800895370031474
Energy: 2.0415265147549153
Energy: 2.0800895370031474
Energy: 2.0233801836003313
Energy: 2.0917544308630145
Energy: 2.3036481295139675
Energy: 2.0917544308630145
Energy: 2.0233801836003313
Energy: 2.0917544308630145
Energy: 2.0401224826749282
Energy: 2.0226935511530733
Energy: 2.134686426370954
Energy: 2.0226935511530733
Energy: 2.0401224826749282
Energy: 2.0226935511530733
Energy: 2.2032736637873214
Energy: 2.0374268377902687
Energy: 2.037820008850736
Energy: 2.0374268377902687
Energy: 2.2032736637873214
Energy: 2.0374268377902687
Energy: 2.2120363729432997
Energy: 2.0382074866744233
Energy: 2.0268201772305408
Energy: 2.0382074866744233
Energy: 2.2120363729432997
Energy: 2.0382074866744233
Energy: 2.1479120074665796
Energy: 2.1364541875876117
Energy: 2.040408246213599
Energy: 2.1364541875876117
Energy: 2.1479120074659535
Energy: 2.1364541875876117
Energy: 2.0958574164079
Energy: 2.0911936033192577
Energy: 2.1475316434791365
Energy: 2.0911936033192577
Energy: 2.0958574164079
Energy: 2.0911936033192577
Energy: 2.0255771050230504
Energy: 2.1516989025791893
Energy: 2.092009320363374
Energy: 2.1516989025791893
Energy: 2.0255771050230504
Energy: 2.1516989025791893
Energy: 2.0340132590748126
Energy: 2.0229776088220506
Energy: 2.2025076357830233
Energy: 2.0229776088220506
Energy: 2.0340132590748126
Energy: 2.0229776088220506
Energy: 2.037981755805969
Energy: 2.3251781448927558
Energy: 2.217709479352483
Energy: 2.3251781448927558
Energy: 2.0379817558053426
Energy: 2.3251781448927558
Energy: 2.03990812832823
Energy: 2.1397641937646874
Energy: 2.022533285205492
Energy: 2.1397641937646874
Energy: 2.03990812832823
Energy: 2.1397641937646874
Energy: 2.5766052530599652
Energy: 2.0596515404445057
Energy: 2.0409815975760526
Energy: 2.0596515404445057
Energy: 2.5766052530599652
Energy: 2.0596515404445057
Energy: 2.4265070459573397
Energy: 2.82346378899894
Energy: 2.0227084130208963
Energy: 2.82346378899894
Energy: 2.426507045956713
Energy: 2.82346378899894
Energy: 2.0379982084592396
Energy: 2.02177530290894
Energy: 2.0215156264951815
Energy: 2.02177530290894
Energy: 2.0379982084592396
Energy: 2.02177530290894
Energy: 2.038620197565963
Energy: 2.324957898771073
Energy: 2.2027942203135487
Energy: 2.324957898771073
Energy: 2.038620197565963
Energy: 2.324957898771073
Energy: 2.025653139309659
Energy: 2.038965589418639
Energy: 2.2024674315547625
Energy: 2.038965589418639
Energy: 2.025653139309659
Energy: 2.038965589418639
Energy: 2.027335947304064
Energy: 2.3066825650601097
Energy: 2.1465672558973705
Energy: 2.3066825650601097
Energy: 2.027335947304064
Energy: 2.306682565060736
Energy: 2.146861336480445
Energy: 2.8226300020213944
Energy: 2.1468472270581804
Energy: 2.8226300020213944
Energy: 2.146861336480445
Energy: 2.8226300020213944
Energy: 2.146516001026091
Energy: 2.2960170226548087
Energy: 2.0258570804961322
Energy: 2.2960170226548087
Energy: 2.146516001026091
Energy: 2.2960170226548087
Energy: 2.202454718608113
Energy: 2.0385359484117473
Energy: 2.0256778162921334
Energy: 2.0385359484117473
Energy: 2.202454718608113
Energy: 2.0385359484117473
Energy: 2.2023448117174165
Energy: 2.3249098770414642
Energy: 2.0386299136465946
Energy: 2.324909877042091
Energy: 2.2023448117174165
Energy: 2.3249098770414642
Energy: 2.021640395105317
Energy: 2.0216478564662115
Energy: 2.0379167835246603
Energy: 2.0216478564662115
Energy: 2.021640395105317
Energy: 2.0216478564662115
Energy: 2.0227091821758973
Energy: 2.82400382619232
Energy: 2.5761146044092382
Energy: 2.82400382619232
Energy: 2.0227091821758973
Energy: 2.82400382619232
Energy: 2.040983991475685
Energy: 2.0596120847683506
Energy: 2.5765220306617467
Energy: 2.0596120847683506
Energy: 2.040983991475685
Energy: 2.0596120847683506
Energy: 2.0229197329926407
Energy: 2.134583300069066
Energy: 2.039934844187407
Energy: 2.134583300069066
Energy: 2.0229197329926407
Energy: 2.134583300069066
Energy: 2.217757692311084
Energy: 2.325295503642038
Energy: 2.037937859727471
Energy: 2.325295503642038
Energy: 2.217757692311711
Energy: 2.325295503642038

minimum gb energy = 2.0215156264951815 eV
minimum distance =  2.32496848443506 Angstroms
sigma value = 81


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

Energy: 1.8997909929809575
Energy: 1.9010026473895982
Energy: 1.8999077106566264
Energy: 1.9010026473895982
Energy: 1.8997909929809575
Energy: 1.9010026473895982
Energy: 1.8998659885478617
Energy: 1.9009709333364988
Energy: 1.899779354818845
Energy: 1.9009709333364988
Energy: 1.8998659885478617
Energy: 1.9009709333364988
Energy: 1.8997711414016627
Energy: 1.9012449908860547
Energy: 2.044167115774319
Energy: 1.9012449908860547
Energy: 1.8997711414016627
Energy: 1.9012449908860547
Energy: 1.8999077106566264
Energy: 1.9010026473895982
Energy: 1.8997909929809575
Energy: 1.9010026473895982
Energy: 1.8999077106566264
Energy: 1.9010026473895982
Energy: 1.899779354818845
Energy: 1.9009709333364988
Energy: 1.8998659885547655
Energy: 1.9009709333364988
Energy: 1.899779354818845
Energy: 1.9009709333364988
Energy: 2.044167115762812
Energy: 1.9012449908860547
Energy: 1.8997711414016627
Energy: 1.9012449908860547
Energy: 2.044167115762812
Energy: 1.9012449908860547
Energy: 1.8997909929809575
Energy: 1.9010026473895982
Energy: 2.064812741898898
Energy: 1.9010026473895982
Energy: 1.8997909929809575
Energy: 1.9010026473895982
Energy: 1.8998659885593683
Energy: 1.9009709333364988
Energy: 1.899779354818845
Energy: 1.9009709333364988
Energy: 1.8998659885593683
Energy: 1.9009709333364988
Energy: 1.8997711414016627
Energy: 1.9012449908860547
Energy: 2.0441671157513057
Energy: 1.9012449908860547
Energy: 1.8997711414016627
Energy: 1.9012449908860547
Energy: 1.8999077106566264
Energy: 1.9010026473895982
Energy: 1.8997909929809575
Energy: 1.9010026473895982
Energy: 1.8999077106589275
Energy: 1.9010026473895982

minimum gb energy = 1.8997711414016627 eV
minimum distance =  2.29383803422864 Angstroms
sigma value = 3


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

Energy: 2.4857714534243143
Energy: 2.487285852126553
Energy: 2.5162745310258576
Energy: 2.487285852127241
Energy: 2.4857714534243143
Energy: 2.487285852126553
Energy: 2.887292376266814
Energy: 2.060134044790456
Energy: 2.0316982656565274
Energy: 2.060134044790456
Energy: 2.887292376266814
Energy: 2.060134044790456
Energy: 2.013462802274815
Energy: 2.0144631386820646
Energy: 2.5448716379424656
Energy: 2.0144631386820646
Energy: 2.013462802274815
Energy: 2.0144631386820646
Energy: 2.5558121250365087
Energy: 2.4249558983296895
Energy: 2.1495858225734654
Energy: 2.4249558983296895
Energy: 2.5558121250365087
Energy: 2.4249558983296895
Energy: 2.080351268201703
Energy: 2.0764763445131473
Energy: 2.426499565235626
Energy: 2.0764763445131473
Energy: 2.080351268201703
Energy: 2.0764763445131473
Energy: 2.291389134181811
Energy: 2.044465779268758
Energy: 2.0361064175912142
Energy: 2.044465779268758
Energy: 2.291389134181811
Energy: 2.044465779268758
Energy: 2.0801986967346298
Energy: 2.076598769507579
Energy: 2.266853928411511
Energy: 2.076598769507579
Energy: 2.0801986967346298
Energy: 2.076598769507579
Energy: 2.076195659735896
Energy: 2.4251540911825087
Energy: 2.1571563228559874
Energy: 2.4251540911825087
Energy: 2.076195659735896
Energy: 2.4251540911825087
Energy: 2.015533134910437
Energy: 2.01172383238202
Energy: 2.4248541541606934
Energy: 2.0117238323813313
Energy: 2.015533134910437
Energy: 2.0117238323813313
Energy: 2.0147074662012816
Energy: 2.0606130823965274
Energy: 2.030515279313097
Energy: 2.0606130823965274
Energy: 2.01470746620197
Energy: 2.0606130823965274
Energy: 2.4866583286333026
Energy: 2.2735070896099225
Energy: 2.0582743751845314
Energy: 2.2735070896099225
Energy: 2.4866583286333026
Energy: 2.2735070896099225
Energy: 2.486664237148015
Energy: 2.080249078986499
Energy: 2.030235193124885
Energy: 2.080249078986499
Energy: 2.486664237148015
Energy: 2.080249078986499
Energy: 2.0146507866746868
Energy: 2.0957918798955877
Energy: 2.042616491438731
Energy: 2.0957918798955877
Energy: 2.0146507866746868
Energy: 2.0957918798955877
Energy: 2.0159570447729633
Energy: 2.424275998911427
Energy: 2.148801700799625
Energy: 2.424275998911427
Energy: 2.0159570447729633
Energy: 2.424275998911427
Energy: 2.076022754459817
Energy: 2.2732829601190425
Energy: 2.1496787099567563
Energy: 2.2732829601190425
Energy: 2.076022754459817
Energy: 2.2732829601190425
Energy: 2.0760962215480205
Energy: 2.058680498129689
Energy: 2.034198366143422
Energy: 2.058680498129689
Energy: 2.0760962215480205
Energy: 2.058680498129689
Energy: 2.0757950245616783
Energy: 2.453447193848318
Energy: 2.034332407634883
Energy: 2.453447193848318
Energy: 2.0757950245616783
Energy: 2.453447193848318
Energy: 2.076105289603231
Energy: 2.345998802587168
Energy: 2.1493487160041025
Energy: 2.345998802587168
Energy: 2.0761052896039196
Energy: 2.345998802587168
Energy: 2.013678593728327
Energy: 2.4664353486583748
Energy: 2.148961782033145
Energy: 2.4664353486583748
Energy: 2.013678593728327
Energy: 2.4664353486583748
Energy: 2.0142485400802466
Energy: 2.2142120563038357
Energy: 2.0300963289510023
Energy: 2.2142120563038357
Energy: 2.0142485400802466
Energy: 2.214212056304525
Energy: 2.486653030826982
Energy: 2.275581724336434
Energy: 2.0301475515577883
Energy: 2.275581724336434
Energy: 2.486653030826982
Energy: 2.275581724336434
Energy: 2.4866631683334806
Energy: 2.2768051480374787
Energy: 2.0583375325889635
Energy: 2.2768051480374787
Energy: 2.4866631683334806
Energy: 2.2768051480374787
Energy: 2.0172376408783848
Energy: 2.059886258052451
Energy: 2.030442183188875
Energy: 2.059886258052451
Energy: 2.0172376408783848
Energy: 2.059886258052451
Energy: 2.0148100245386806
Energy: 2.0119303500521575
Energy: 2.424135305871787
Energy: 2.0119303500521575
Energy: 2.0148100245386806
Energy: 2.0119303500521575
Energy: 2.077517182158538
Energy: 2.3460163838252526
Energy: 2.1486542568504667
Energy: 2.3460163838252526
Energy: 2.077517182158538
Energy: 2.3460163838252526
Energy: 2.086616624216802
Energy: 2.417139474512101
Energy: 2.045367529005836
Energy: 2.417139474512101
Energy: 2.086616624216802
Energy: 2.417139474512101
Energy: 2.078014188722142
Energy: 2.0588994442246213
Energy: 2.034422449900028
Energy: 2.0588994442246213
Energy: 2.078014188722142
Energy: 2.0588994442246213
Energy: 2.0867757124481425
Energy: 2.0760360196100622
Energy: 2.425110586907077
Energy: 2.0760360196100622
Energy: 2.0867757124481425
Energy: 2.0760360196100622
Energy: 2.0950050277891603
Energy: 2.425714828107623
Energy: 2.1526398231742307
Energy: 2.425714828108312
Energy: 2.0950050277891603
Energy: 2.425714828108312
Energy: 2.014504587849594
Energy: 2.0139195722518086
Energy: 2.2274059826446577
Energy: 2.0139195722518086
Energy: 2.014504587849594
Energy: 2.0139195722518086
Energy: 2.888315515859973
Energy: 2.0608014610038192
Energy: 2.0363317867198965
Energy: 2.0608014610038192
Energy: 2.888315515859973
Energy: 2.0608014610038192
Energy: 2.4879105899832834
Energy: 2.4878830426821783
Energy: 2.057680855198431
Energy: 2.4878830426821783
Energy: 2.4879105899832834
Energy: 2.4878830426821783
Energy: 2.5412122147511464
Energy: 2.05989305335393
Energy: 2.03021458026722
Energy: 2.05989305335393
Energy: 2.5412122147511464
Energy: 2.05989305335393

minimum gb energy = 2.0117238323813313 eV
minimum distance =  2.22251219475855 Angstroms
sigma value = 67


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

Energy: 2.1454243661349
Energy: 2.513849982083387
Energy: 2.262024104837417
Energy: 2.513849982083387
Energy: 2.1454243661349
Energy: 2.513849982083387
Energy: 2.5183820543512603
Energy: 2.013861126212309
Energy: 2.0520540041361723
Energy: 2.01386112621329
Energy: 2.5183820543512603
Energy: 2.013861126212309
Energy: 2.0340229941218766
Energy: 2.066006916874295
Energy: 2.2809571045445836
Energy: 2.066006916874295
Energy: 2.0340229941218766
Energy: 2.066006916874295
Energy: 2.6942459182387006
Energy: 2.5084841298503626
Energy: 2.041343845919772
Energy: 2.5084841298503626
Energy: 2.6942459182387006
Energy: 2.5084841298503626
Energy: 2.0498333658583237
Energy: 2.5077790854939446
Energy: 2.508056699469
Energy: 2.5077790854939446
Energy: 2.0498333658583237
Energy: 2.5077790854939446
Energy: 2.0394386627145114
Energy: 2.015500041857594
Energy: 2.0506141443601056
Energy: 2.015500041857594
Energy: 2.0394386627145114
Energy: 2.015500041857594
Energy: 2.02888196489372
Energy: 2.014157282537588
Energy: 2.0207664173042375
Energy: 2.014157282537588
Energy: 2.02888196489372
Energy: 2.014157282537588
Energy: 2.0139123073749796
Energy: 2.441716087571699
Energy: 2.51327326519768
Energy: 2.44171608757268
Energy: 2.0139123073749796
Energy: 2.441716087571699
Energy: 2.0128058900425603
Energy: 2.258080800784316
Energy: 2.5134827850604236
Energy: 2.258080800784316
Energy: 2.0128058900425603
Energy: 2.258080800784316
Energy: 2.0131726776619874
Energy: 2.4254534382221133
Energy: 2.0234785180678148
Energy: 2.4254534382221133
Energy: 2.0131726776619874
Energy: 2.4254534382221133
Energy: 2.0388471072535324
Energy: 2.425343002118605
Energy: 2.02127648615878
Energy: 2.425343002117624
Energy: 2.0388471072535324
Energy: 2.425343002117624
Energy: 2.0390403430247592
Energy: 2.2145361934300496
Energy: 2.038994241250595
Energy: 2.2145361934300496
Energy: 2.0390403430247592
Energy: 2.2145361934300496
Energy: 2.0218743003327018
Energy: 2.4253809579815355
Energy: 2.038730550699535
Energy: 2.4253809579815355
Energy: 2.0218743003327018
Energy: 2.4253809579815355
Energy: 2.023489104868645
Energy: 2.4264074509498657
Energy: 2.013334918844822
Energy: 2.4264074509498657
Energy: 2.023489104868645
Energy: 2.4264074509498657
Energy: 2.51339878952729
Energy: 2.257992588856714
Energy: 2.012906866638933
Energy: 2.257992588856714
Energy: 2.51339878952729
Energy: 2.257992588856714
Energy: 2.5131998351232516
Energy: 2.441664591923564
Energy: 2.013969756640218
Energy: 2.441664591923564
Energy: 2.5131998351232516
Energy: 2.441664591923564
Energy: 2.020780141041509
Energy: 2.014829575987957
Energy: 2.021740129536706
Energy: 2.014829575987957
Energy: 2.020780141041509
Energy: 2.014829575987957
Energy: 2.0505858748613037
Energy: 2.0154308730139143
Energy: 2.0396480920562885
Energy: 2.0154308730139143
Energy: 2.0505858748613037
Energy: 2.0154308730139143
Energy: 2.508345668989793
Energy: 2.5077751278554485
Energy: 2.049881347625524
Energy: 2.5077751278554485
Energy: 2.508345668989793
Energy: 2.5077751278554485
Energy: 2.041320962573777
Energy: 2.5084810562282667
Energy: 2.693848229186355
Energy: 2.5084810562282667
Energy: 2.041320962573777
Energy: 2.5084810562282667
Energy: 2.2809184111216685
Energy: 2.0660069168733135
Energy: 2.02257157083684
Energy: 2.0660069168733135
Energy: 2.2809184111216685
Energy: 2.0660069168733135
Energy: 2.052042354676168
Energy: 2.01392036488095
Energy: 2.5163287366800775
Energy: 2.01392036488095
Energy: 2.052042354676168
Energy: 2.01392036488095
Energy: 2.0316530789178473
Energy: 2.513849982083387
Energy: 2.1454243661349
Energy: 2.513849982083387
Energy: 2.032303799302852
Energy: 2.513849982083387

minimum gb energy = 2.0128058900425603 eV
minimum distance =  2.2241189976258 Angstroms
sigma value = 33


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

Energy: 2.3777268903666617
Energy: 2.6449698186651367
Energy: 2.9506967249369414
Energy: 2.6449698186651367
Energy: 2.3777268903666617
Energy: 2.6449698186651367
Energy: 2.5377121456178804
Energy: 2.264923864147537
Energy: 2.0216811289325323
Energy: 2.264923864147537
Energy: 2.5377121456178804
Energy: 2.264923864147537
Energy: 2.033725625178596
Energy: 2.041483739887199
Energy: 2.5438009806685318
Energy: 2.0414837398865764
Energy: 2.033725625178596
Energy: 2.041483739887199
Energy: 2.0432706237947906
Energy: 2.2616311892773155
Energy: 2.072496268636059
Energy: 2.2616311892773155
Energy: 2.0432706237947906
Energy: 2.2616311892773155
Energy: 2.31280724074773
Energy: 2.618439713807492
Energy: 2.2625912047782077
Energy: 2.618439713807492
Energy: 2.31280724074773
Energy: 2.618439713807492
Energy: 2.3001775947155587
Energy: 2.2422636330225294
Energy: 2.0356962166604697
Energy: 2.2422636330225294
Energy: 2.3001775947155587
Energy: 2.2422636330225294
Energy: 2.0329888776928144
Energy: 2.01313421966929
Energy: 2.014261507660697
Energy: 2.01313421966929
Energy: 2.0329888776928144
Energy: 2.01313421966929
Energy: 2.0146634762782
Energy: 2.5001214360005966
Energy: 2.2996383528360878
Energy: 2.5001214360005966
Energy: 2.0146634762782
Energy: 2.5001214360012187
Energy: 2.2612460331264024
Energy: 2.382440193053269
Energy: 2.2995831385554513
Energy: 2.3824401930538914
Energy: 2.2612460331264024
Energy: 2.3824401930538914
Energy: 2.078719047964909
Energy: 2.4336527010728357
Energy: 2.0334047832098294
Energy: 2.311484588524039
Energy: 2.078719047964909
Energy: 2.4336527010734583
Energy: 2.0247094635504292
Energy: 2.1423424418323562
Energy: 2.0209520507155143
Energy: 2.1423424418323562
Energy: 2.0247094635498066
Energy: 2.1423424418323562
Energy: 2.032776753090029
Energy: 2.2260145881559215
Energy: 2.6447197347733975
Energy: 2.2260145881559215
Energy: 2.032776753090029
Energy: 2.2260145881559215
Energy: 2.2648531412444113
Energy: 2.5362023693213214
Energy: 2.3895387142053583
Energy: 2.5362023693213214
Energy: 2.264853141245034
Energy: 2.5362023693213214
Energy: 2.0214441266301275
Energy: 2.2651004611630894
Energy: 2.0179482647523765
Energy: 2.2651004611630894
Energy: 2.0214441266301275
Energy: 2.2651004611630894
Energy: 2.262746282404575
Energy: 2.0449285538496373
Energy: 2.0258756308831223
Energy: 2.0449285538496373
Energy: 2.262746282404575
Energy: 2.0449285538496373
Energy: 2.072583959102202
Energy: 2.2616214032611035
Energy: 2.5039974405654615
Energy: 2.2616214032611035
Energy: 2.072583959102202
Energy: 2.2616214032611035
Energy: 3.0005982682068546
Energy: 2.6193068288325536
Energy: 2.2984130846635673
Energy: 2.6193068288325536
Energy: 3.0005982682068546
Energy: 2.6193068288325536
Energy: 2.0278792959206156
Energy: 2.0119186550161943
Energy: 2.575578129864348
Energy: 2.0119186550161943
Energy: 2.0278792959206156
Energy: 2.0119186550161943
Energy: 2.337117906254209
Energy: 2.0112719037868256
Energy: 2.0259020285737384
Energy: 2.0112719037868256
Energy: 2.3371179062535865
Energy: 2.0112719037868256
Energy: 2.301510733203958
Energy: 2.496877093053724
Energy: 2.0176816124532078
Energy: 2.496877093053724
Energy: 2.301510733203958
Energy: 2.496877093053724
Energy: 2.6207201920005563
Energy: 2.4503151675882484
Energy: 2.0745907120836007
Energy: 2.4503151675882484
Energy: 2.6207201920005563
Energy: 2.4503151675882484
Energy: 2.0277833187383325
Energy: 2.011896632160373
Energy: 2.261671945472614
Energy: 2.011896632160373
Energy: 2.0277833187383325
Energy: 2.011896632160373
Energy: 2.0177371223603346
Energy: 2.263504728821554
Energy: 2.0255832924467887
Energy: 2.263504728821554
Energy: 2.0177371223603346
Energy: 2.263504728821554
Energy: 2.3779826814116563
Energy: 2.3379384028087955
Energy: 2.024253762898344
Energy: 2.3379384028087955
Energy: 2.3779826814116563
Energy: 2.3379384028087955
Energy: 2.644214706204162
Energy: 2.2234376997196343
Energy: 2.0230864263815422
Energy: 2.2234376997196343
Energy: 2.644214706204162
Energy: 2.2234376997196343
Energy: 2.024961834142014
Energy: 2.139895027202013
Energy: 2.032685721587099
Energy: 2.139895027202013
Energy: 2.024961834142014
Energy: 2.139895027202013
Energy: 2.0308962009457265
Energy: 2.012797056091768
Energy: 2.261379162836779
Energy: 2.012797056091768
Energy: 2.0308962009457265
Energy: 2.012797056091768
Energy: 2.299878385755325
Energy: 2.334096791306754
Energy: 2.0793813149562204
Energy: 2.334096791306754
Energy: 2.299878385755325
Energy: 2.334096791306754
Energy: 2.3126077424236775
Energy: 2.496366970880519
Energy: 2.0147505951331985
Energy: 2.496366970880519
Energy: 2.3126077424236775
Energy: 2.496366970880519
Energy: 2.0158965676322764
Energy: 2.011035611762064
Energy: 2.027799320787843
Energy: 2.011035611762064
Energy: 2.0158965676322764
Energy: 2.011035611762064
Energy: 2.0332926916124525
Energy: 2.2411132012386945
Energy: 2.620326371569574
Energy: 2.2411132012386945
Energy: 2.0332926916124525
Energy: 2.2411132012386945
Energy: 2.2645544179792485
Energy: 2.619067093827126
Energy: 2.3017432429735187
Energy: 2.619067093827126
Energy: 2.264554417978626
Energy: 2.619067093827126
Energy: 2.072645601786726
Energy: 2.2614674346699752
Energy: 2.334358105925036
Energy: 2.2614674346699752
Energy: 2.072645601786726
Energy: 2.2614674346699752
Energy: 2.5753687250428055
Energy: 2.040908867543258
Energy: 2.028333201956005
Energy: 2.040908867543258
Energy: 2.5753687250428055
Energy: 2.040908867543258
Energy: 2.020288715074468
Energy: 2.2633948071585395
Energy: 2.444669173298054
Energy: 2.2633948071585395
Energy: 2.020288715074468
Energy: 2.2633948071585395
Energy: 2.2672009002111246
Energy: 2.64442821404788
Energy: 2.3806445652688972
Energy: 2.64442821404788
Energy: 2.2672009002105025
Energy: 2.64442821404788
Energy: 2.025634769892327
Energy: 2.4394105432530875
Energy: 2.6464903208923443
Energy: 2.4394105432530875
Energy: 2.025634769892327
Energy: 2.4394105432530875

minimum gb energy = 2.011035611762064 eV
minimum distance =  2.20967414556083 Angstroms
sigma value = 41


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

Energy: 1.949303313092513
Energy: 2.6769808153402828
Energy: 3.0689321151871254
Energy: 2.6769808153402828
Energy: 1.949303313092513
Energy: 2.6769808153402828
Energy: 2.777127100502484
Energy: 1.824804236043378
Energy: 1.8232162928671602
Energy: 1.824804236043378
Energy: 2.777127100502484
Energy: 1.824804236043378
Energy: 1.950119406641795
Energy: 1.9943269045275147
Energy: 2.2757210153473264
Energy: 1.9943269045275147
Energy: 1.950119406641795
Energy: 1.9943269045275147
Energy: 2.705317832231707
Energy: 1.8241719636588762
Energy: 1.8233265896566198
Energy: 1.8241719636588762
Energy: 2.705317832233561
Energy: 1.8241719636588762
Energy: 1.9498958890216165
Energy: 2.400384533719597
Energy: 1.8266997927490467
Energy: 2.400384533719597
Energy: 1.9498958890216165
Energy: 2.400384533719597
Energy: 1.947926428547622
Energy: 1.996769547425917
Energy: 1.8242108511640232
Energy: 1.996769547425917
Energy: 1.947926428547622
Energy: 1.996769547425917
Energy: 2.706651120172449
Energy: 1.8257536453915588
Energy: 1.8269557555220801
Energy: 1.8257536453915588
Energy: 2.706651120172449
Energy: 1.8257536453915588
Energy: 1.9485675657540826
Energy: 1.8267062957222404
Energy: 1.8238224497520623
Energy: 1.8267062957222404
Energy: 1.9485675657540826
Energy: 1.8267062957222404
Energy: 2.73720179207877
Energy: 1.9977047738770854
Energy: 1.8268819866218242
Energy: 1.9977047738770854
Energy: 2.73720179207877
Energy: 1.9977047738770854
Energy: 1.9481406487019446
Energy: 2.3938020395547333
Energy: 1.8258459782463117
Energy: 2.3938020395547333
Energy: 1.9481406487019446
Energy: 2.3938020395547333
Energy: 2.8635569677629897
Energy: 1.83171679702394
Energy: 1.8267180763019009
Energy: 1.83171679702394
Energy: 2.8635569677629897
Energy: 1.8317167970256396
Energy: 1.9489271694365546
Energy: 1.991091430984359
Energy: 2.784517328439675
Energy: 1.991091430984359
Energy: 1.9489271694365546
Energy: 1.991091430984359
Energy: 2.86221272722012
Energy: 1.8319269517824348
Energy: 1.8267102069730847
Energy: 1.8319269517824348
Energy: 2.86221272722012
Energy: 1.8319269517824348
Energy: 1.9481683742892661
Energy: 2.3941196135982103
Energy: 1.8258669480807053
Energy: 2.3941196135982103
Energy: 1.9481683742892661
Energy: 2.3941196135982103

minimum gb energy = 1.8232162928671602 eV
minimum distance =  2.30311938272911 Angstroms
sigma value = 11


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

Energy: 2.5394410277583517
Energy: 2.191802554442039
Energy: 2.737994884979126
Energy: 2.1918025544412925
Energy: 2.5394410277583517
Energy: 2.191802554442039
Energy: 2.4790226053690505
Energy: 2.5069133447043974
Energy: 2.185675526594682
Energy: 2.5069133447043974
Energy: 2.4790226053690505
Energy: 2.5069133447043974
Energy: 2.2361876760192834
Energy: 2.328561049168872
Energy: 2.247903623669828
Energy: 2.328561049168872
Energy: 2.2361876760192834
Energy: 2.328561049168872
Energy: 2.179911796885218
Energy: 2.1805511259283388
Energy: 2.185708824214903
Energy: 2.1805511259283388
Energy: 2.179911796885218
Energy: 2.1805511259283388
Energy: 2.4801738169723233
Energy: 2.5272021647787457
Energy: 2.2124527099334106
Energy: 2.5272021647787457
Energy: 2.4801738169723233
Energy: 2.5272021647787457
Energy: 2.264129466742875
Energy: 2.5935391585009038
Energy: 2.47944365190386
Energy: 2.5935391585009038
Energy: 2.2641294667436216
Energy: 2.5935391585009038
Energy: 2.1815134535311618
Energy: 2.493403472780983
Energy: 2.265592183087972
Energy: 2.493403472780983
Energy: 2.1815134535311618
Energy: 2.493403472780983
Energy: 2.18587088186974
Energy: 2.1791288078158564
Energy: 2.37911986624484
Energy: 2.1791288078158564
Energy: 2.18587088186974
Energy: 2.1791288078158564
Energy: 2.598763980317593
Energy: 2.2444885361383924
Energy: 2.185673479409325
Energy: 2.2444885361391385
Energy: 2.598763980317593
Energy: 2.2444885361383924
Energy: 2.1871140128912803
Energy: 2.503890024420158
Energy: 2.331336976141302
Energy: 2.503890024420158
Energy: 2.1871140128912803
Energy: 2.503890024420158
Energy: 2.3318489341602877
Energy: 2.7611891254295453
Energy: 2.5609280463907664
Energy: 2.7611891254295453
Energy: 2.3318489341602877
Energy: 2.7611891254295453
Energy: 2.1860398664618734
Energy: 2.591012001527446
Energy: 2.5515923548785797
Energy: 2.591012001527446
Energy: 2.1860398664618734
Energy: 2.591012001527446
Energy: 2.185752598793553
Energy: 2.3287215952591285
Energy: 2.480058750076973
Energy: 2.3287215952583815
Energy: 2.185752598793553
Energy: 2.3287215952591285
Energy: 2.215518726894697
Energy: 2.241655815125741
Energy: 2.214522853670172
Energy: 2.241655815125741
Energy: 2.215518726894697
Energy: 2.241655815125741
Energy: 2.185535914372409
Energy: 2.5224506174246453
Energy: 2.47925676731528
Energy: 2.5224506174246453
Energy: 2.185535914372409
Energy: 2.5224506174246453
Energy: 2.591030497669453
Energy: 2.487811419670271
Energy: 2.2659345323248186
Energy: 2.487811419670271
Energy: 2.591030497668706
Energy: 2.487811419670271
Energy: 2.265568811259025
Energy: 2.491941207827468
Energy: 2.4796290770000793
Energy: 2.491941207827468
Energy: 2.265568811259025
Energy: 2.491941207827468
Energy: 2.479288188554918
Energy: 2.518553332114257
Energy: 2.188460428617416
Energy: 2.518553332114257
Energy: 2.479288188554918
Energy: 2.518553332114257
Energy: 2.1791440155860875
Energy: 2.328679341236596
Energy: 2.2147660659998816
Energy: 2.328679341236596
Energy: 2.1791440155860875
Energy: 2.328679341236596
Energy: 2.1860045890271103
Energy: 2.328650302336241
Energy: 2.1858292258228347
Energy: 2.328650302336241
Energy: 2.1860045890263637
Energy: 2.328650302336241
Energy: 2.55320239472715
Energy: 2.5853264807386096
Energy: 2.1858864884488525
Energy: 2.5853264807386096
Energy: 2.55320239472715
Energy: 2.5853264807386096
Energy: 2.5539360492530014
Energy: 2.757459456214892
Energy: 2.479007922109449
Energy: 2.757459456214892
Energy: 2.5539360492530014
Energy: 2.757459456214892
Energy: 2.563782184119796
Energy: 2.5043872282692945
Energy: 2.1856851976177056
Energy: 2.5043872282692945
Energy: 2.563782184119796
Energy: 2.5043872282692945
Energy: 2.1858456051683746
Energy: 2.2461913833025196
Energy: 2.478814540087202
Energy: 2.2461913833025196
Energy: 2.185845605167628
Energy: 2.2461913833025196
Energy: 2.33266158237505
Energy: 2.180340688454747
Energy: 2.236005056934528
Energy: 2.180340688454747
Energy: 2.33266158237505
Energy: 2.180340688454747
Energy: 2.2639254226680476
Energy: 2.493814385716241
Energy: 2.179982485634378
Energy: 2.493814385716241
Energy: 2.2639254226680476
Energy: 2.493814385716241
Energy: 2.4807576945635
Energy: 2.5929756823720695
Energy: 2.4801361315103145
Energy: 2.5929756823720695
Energy: 2.4807576945635
Energy: 2.5929756823720695
Energy: 2.1796313182280906
Energy: 2.526584388913962
Energy: 2.2642083746357993
Energy: 2.526584388913962
Energy: 2.1796313182280906
Energy: 2.526584388913962
Energy: 2.188382877258299
Energy: 2.1799913242206017
Energy: 2.1798790510530357
Energy: 2.1799913242206017
Energy: 2.188382877258299
Energy: 2.1799913242206017
Energy: 2.1870683557660526
Energy: 2.328673264425846
Energy: 2.185506653827237
Energy: 2.328673264425846
Energy: 2.1870683557653057
Energy: 2.328673264425846
Energy: 2.19238601253888
Energy: 2.504702607609472
Energy: 2.565896866599216
Energy: 2.504702607609472
Energy: 2.19238601253888
Energy: 2.504702607609472

minimum gb energy = 2.1791288078158564 eV
minimum distance =  2.22494863112561 Angstroms
sigma value = 57


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

Energy: 2.2918643554214566
Energy: 2.292225953785176
Energy: 2.6807891583684875
Energy: 2.292225953785176
Energy: 2.2918643554214566
Energy: 2.292225953785176
Energy: 2.2929747138616405
Energy: 2.4252956083715977
Energy: 2.263333043550061
Energy: 2.4252956083715977
Energy: 2.2929747138616405
Energy: 2.4252956083715977
Energy: 2.2731587547340966
Energy: 2.4517156709531527
Energy: 2.301635039042096
Energy: 2.451715670954481
Energy: 2.2731587547340966
Energy: 2.4517156709531527
Energy: 2.295663725208524
Energy: 2.263658974162351
Energy: 2.295478028964894
Energy: 2.263658974162351
Energy: 2.295663725208524
Energy: 2.263658974162351
Energy: 2.301621160469539
Energy: 2.4518783102162875
Energy: 2.2733651834777264
Energy: 2.4518783102162875
Energy: 2.301621160469539
Energy: 2.4518783102162875
Energy: 2.2633050488257744
Energy: 2.2649119989095343
Energy: 2.2922113170738383
Energy: 2.2649119989095343
Energy: 2.2633050488257744
Energy: 2.2649119989095343
Energy: 2.5375870850038655
Energy: 2.292225953785176
Energy: 2.2918643554214566
Energy: 2.292225953785176
Energy: 2.5375870850038655
Energy: 2.292225953785176
Energy: 2.26333304355139
Energy: 2.4252956083715977
Energy: 2.2929747138616405
Energy: 2.4252956083715977
Energy: 2.263333043550061
Energy: 2.4252956083715977
Energy: 2.301635039042096
Energy: 2.4517156709531527
Energy: 2.2731587547340966
Energy: 2.4517156709531527
Energy: 2.301635039042096
Energy: 2.4517156709531527
Energy: 2.295478028964894
Energy: 2.263658974162351
Energy: 2.295663725208524
Energy: 2.263658974162351
Energy: 2.295478028964894
Energy: 2.309840089641859
Energy: 2.2733651834777264
Energy: 2.4518783102162875
Energy: 2.301621160469539
Energy: 2.4518783102162875
Energy: 2.2733651834777264
Energy: 2.4518783102162875
Energy: 2.2922113170738383
Energy: 2.2649119989095343
Energy: 2.2633050488257744
Energy: 2.2649119989095343
Energy: 2.2922113170738383
Energy: 2.2649119989095343
Energy: 2.2918643554214566
Energy: 2.292225953785176
Energy: 2.5375870850038655
Energy: 2.292225953785176
Energy: 2.2918643554214566
Energy: 2.292225953785176
Energy: 2.2929747138616405
Energy: 2.4252956083715977
Energy: 2.263333043550061
Energy: 2.4252956083715977
Energy: 2.2929747138616405
Energy: 2.4252956083715977
Energy: 2.2731587547340966
Energy: 2.4517156709531527
Energy: 2.301635039042096
Energy: 2.4517156709531527
Energy: 2.2731587547340966
Energy: 2.4517156709531527
Energy: 2.295663725208524
Energy: 2.263658974162351
Energy: 2.295478028964894
Energy: 2.309840089641859
Energy: 2.295663725208524
Energy: 2.263658974162351
Energy: 2.301621160469539
Energy: 2.4518783102162875
Energy: 2.2733651834777264
Energy: 2.4518783102162875
Energy: 2.301621160469539
Energy: 2.4518783102162875

minimum gb energy = 2.2633050488257744 eV
minimum distance =  2.36579620523445 Angstroms
sigma value = 9


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

Energy: 2.619021783899483
Energy: 2.326032624930454
Energy: 2.489357057017101
Energy: 2.326032624930454
Energy: 2.619021783899483
Energy: 2.326032624930454
Energy: 2.5310244730257394
Energy: 2.7028736602212198
Energy: 2.3279528303306085
Energy: 2.7028736602212198
Energy: 2.5310244730257394
Energy: 2.7028736602212198
Energy: 2.261759940816003
Energy: 2.5638978862084443
Energy: 2.308913423703619
Energy: 2.563897886209529
Energy: 2.261759940816003
Energy: 2.5638978862084443
Energy: 2.264922522472034
Energy: 2.262269942840684
Energy: 2.520581080086083
Energy: 2.262269942840684
Energy: 2.264922522472034
Energy: 2.262269942840684
Energy: 2.5370098633506295
Energy: 2.355712138706356
Energy: 2.3091715124792107
Energy: 2.355712138706356
Energy: 2.5370098633506295
Energy: 2.355712138706356
Energy: 2.265092239502067
Energy: 2.26193580800064
Energy: 2.6064117631924253
Energy: 2.26193580800064
Energy: 2.265092239502067
Energy: 2.26193580800064
Energy: 2.2619848577107686
Energy: 2.5639644337465843
Energy: 2.284345573810916
Energy: 2.5639644337455
Energy: 2.2619848577107686
Energy: 2.5639644337465843
Energy: 2.535209398358932
Energy: 2.6945889724534426
Energy: 2.2858263219578063
Energy: 2.6945889724534426
Energy: 2.535209398358932
Energy: 2.6945889724534426
Energy: 2.5320727017370492
Energy: 2.597536737798405
Energy: 2.51895986315883
Energy: 2.597536737798405
Energy: 2.5320727017381346
Energy: 2.597536737798405
Energy: 2.473587821676768
Energy: 2.264736305261573
Energy: 2.2874829502127536
Energy: 2.264736305261573
Energy: 2.4735878216778535
Energy: 2.264736305261573
Energy: 2.2633428682480696
Energy: 2.421998103656522
Energy: 2.470202995245364
Energy: 2.421998103656522
Energy: 2.2633428682480696
Energy: 2.421998103656522
Energy: 2.261117115762975
Energy: 2.2635943476656504
Energy: 2.5220471025522264
Energy: 2.2635943476656504
Energy: 2.261117115762975
Energy: 2.2635943476656504
Energy: 2.263611217866104
Energy: 2.285388875696163
Energy: 2.4706771387677855
Energy: 2.285388875696163
Energy: 2.263611217866104
Energy: 2.285388875696163
Energy: 2.3007488936861833
Energy: 2.2987904759529516
Energy: 2.519357562325234
Energy: 2.2987904759529516
Energy: 2.3007488936861833
Energy: 2.2987904759529516
Energy: 2.4757380484631146
Energy: 2.5871674207570012
Energy: 2.283352388511487
Energy: 2.5871674207570012
Energy: 2.4757380484641995
Energy: 2.5871674207570012
Energy: 2.548851649030798
Energy: 2.5950224226978293
Energy: 2.52033273815351
Energy: 2.5950224226978293
Energy: 2.548851649030798
Energy: 2.5950224226978293
Energy: 2.542578909190941
Energy: 2.5832385644081466
Energy: 2.385381340869609
Energy: 2.5832385644081466
Energy: 2.542578909190941
Energy: 2.5832385644081466
Energy: 2.6120902215499
Energy: 2.5943411558317426
Energy: 2.287197352545121
Energy: 2.5943411558317426
Energy: 2.6120902215499
Energy: 2.5943411558317426
Energy: 2.2612388453378744
Energy: 2.2629523800522686
Energy: 2.7421730994229514
Energy: 2.2629523800522686
Energy: 2.2612388453378744
Energy: 2.2629523800522686
Energy: 2.26624796714581
Energy: 2.3529481827182797
Energy: 2.2858177796803414
Energy: 2.3529481827182797
Energy: 2.26624796714581
Energy: 2.3529481827182797
Energy: 2.2611907576366916
Energy: 2.2623430141296903
Energy: 2.5228942978053523
Energy: 2.2623430141296903
Energy: 2.2611907576366916
Energy: 2.2623430141296903

minimum gb energy = 2.261117115762975 eV
minimum distance =  2.34903433024976 Angstroms
sigma value = 27


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

Energy: 2.481039735428836
Energy: 2.349801153530977
Energy: 2.4347928873620814
Energy: 2.349801153530977
Energy: 2.481039735428836
Energy: 2.349801153530977
Energy: 2.332240790683163
Energy: 2.3327923804086743
Energy: 2.3255521123611667
Energy: 2.3327923804086743
Energy: 2.332240790683163
Energy: 2.3327923804086743
Energy: 2.301997521037433
Energy: 2.301721036169384
Energy: 2.325287424696445
Energy: 2.301721036169384
Energy: 2.301997521037433
Energy: 2.301721036169384
Energy: 2.330764512080092
Energy: 2.3543846571678673
Energy: 2.4492162941883073
Energy: 2.3543846571678673
Energy: 2.330764512080092
Energy: 2.3543846571678673
Energy: 2.379014369551734
Energy: 2.430697216226197
Energy: 2.3290907625713904
Energy: 2.430697216226197
Energy: 2.379014369551734
Energy: 2.430697216226197
Energy: 2.300949102066105
Energy: 2.302165118299099
Energy: 2.3322736301534914
Energy: 2.302165118299099
Energy: 2.300949102066105
Energy: 2.3021651183000134
Energy: 2.3240811455682735
Energy: 2.5503900883149364
Energy: 2.329343194164635
Energy: 2.5503900883149364
Energy: 2.3240811455682735
Energy: 2.5503900883149364
Energy: 2.3260125060865535
Energy: 2.7821150646505615
Energy: 2.329589543959222
Energy: 2.7821150646505615
Energy: 2.3260125060865535
Energy: 2.7821150646505615
Energy: 2.3958645594267707
Energy: 2.3968004971538766
Energy: 2.434995609713874
Energy: 2.3968004971529617
Energy: 2.3958645594267707
Energy: 2.3968004971529617
Energy: 2.325320312244049
Energy: 2.5141042687215824
Energy: 2.416748511795131
Energy: 2.5141042687215824
Energy: 2.325320312244049
Energy: 2.5141042687215824
Energy: 2.3251397967469236
Energy: 2.5140730376103457
Energy: 2.4166617127376635
Energy: 2.514073037609431
Energy: 2.3251397967469236
Energy: 2.5140730376103457
Energy: 2.3958777112638625
Energy: 2.397107700296515
Energy: 2.4349084983908185
Energy: 2.397107700296515
Energy: 2.3958777112638625
Energy: 2.397107700296515
Energy: 2.3260062229243665
Energy: 2.7821308391208484
Energy: 2.3294906662788892
Energy: 2.7821308391208484
Energy: 2.3260062229243665
Energy: 2.7821308391208484
Energy: 2.3233837065535448
Energy: 2.550586467954049
Energy: 2.329015830415392
Energy: 2.550586467954049
Energy: 2.3233837065526304
Energy: 2.550586467954049
Energy: 2.3009669422068333
Energy: 2.3021570915854026
Energy: 2.332291178472007
Energy: 2.3021570915854026
Energy: 2.3009669422068333
Energy: 2.3021570915854026
Energy: 2.37865184936815
Energy: 2.430697216227111
Energy: 2.3292821282634173
Energy: 2.430697216227111
Energy: 2.37865184936815
Energy: 2.430697216227111
Energy: 2.3307676829743773
Energy: 2.3549958261850326
Energy: 2.3546989826816
Energy: 2.3549958261850326
Energy: 2.3307676829743773
Energy: 2.3549958261850326
Energy: 2.302011630506795
Energy: 2.301706267161181
Energy: 2.3622834276412683
Energy: 2.301706267161181
Energy: 2.302011630506795
Energy: 2.301706267161181
Energy: 2.3326237869847173
Energy: 2.332636573782943
Energy: 2.3253774968897867
Energy: 2.332636573782943
Energy: 2.3326237869847173
Energy: 2.332636573782943
Energy: 2.481039735428836
Energy: 2.349801153530977
Energy: 2.469247809946796
Energy: 2.349801153530977
Energy: 2.481039735428836
Energy: 2.349801153530977
Energy: 2.332240790683163
Energy: 2.3327923804086743
Energy: 2.3255521123611667
Energy: 2.3327923804086743
Energy: 2.332240790683163
Energy: 2.3327923804086743
Energy: 2.301997521037433
Energy: 2.301721036169384
Energy: 2.325287424696445
Energy: 2.301721036169384
Energy: 2.301997521037433
Energy: 2.301721036169384
Energy: 2.330764512080092
Energy: 2.3543846571678673
Energy: 2.3030002147817226
Energy: 2.3543846571678673
Energy: 2.330764512080092
Energy: 2.3543846571678673
Energy: 2.379014369551734
Energy: 2.430697216226197
Energy: 2.3290907625713904
Energy: 2.430697216226197
Energy: 2.379014369551734
Energy: 2.430697216226197
Energy: 2.300949102066105
Energy: 2.3021651183000134
Energy: 2.3322736301534914
Energy: 2.3021651183000134
Energy: 2.300949102066105
Energy: 2.302165118299099

minimum gb energy = 2.300949102066105 eV
minimum distance =  2.35431716701472 Angstroms
sigma value = 19


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

Energy: 2.637658483100402
Energy: 2.340900204070126
Energy: 2.4870611115102452
Energy: 2.340900204070126
Energy: 2.637658483100402
Energy: 2.340900204070126
Energy: 2.366949461387603
Energy: 2.564233481501523
Energy: 2.3041636390304996
Energy: 2.564233481501523
Energy: 2.366949461387603
Energy: 2.564233481501523
Energy: 2.2736659150891323
Energy: 2.2865611544128175
Energy: 2.3081176419256386
Energy: 2.2865611544128175
Energy: 2.2736659150891323
Energy: 2.2865611544128175
Energy: 2.2904946032411972
Energy: 2.2819126982501827
Energy: 2.2741437258410753
Energy: 2.2819126982501827
Energy: 2.2904946032411972
Energy: 2.2819126982501827
Energy: 2.2880572781991333
Energy: 2.2665986612856344
Energy: 2.2636701806901267
Energy: 2.2665986612856344
Energy: 2.2880572781991333
Energy: 2.2665986612856344
Energy: 2.2770360387661164
Energy: 2.2671675241617266
Energy: 2.2656060459662704
Energy: 2.2671675241617266
Energy: 2.2770360387661164
Energy: 2.2671675241617266
Energy: 2.2540605659517614
Energy: 2.354597205648155
Energy: 2.2658084807023218
Energy: 2.354597205648155
Energy: 2.2540605659517614
Energy: 2.354597205648155
Energy: 2.253431147886357
Energy: 2.2664732157658705
Energy: 2.2655181042464387
Energy: 2.2664732157658705
Energy: 2.253431147886357
Energy: 2.266473215765081
Energy: 2.2912007583809135
Energy: 2.5368683778158516
Energy: 2.3106984339762726
Energy: 2.5368683778158516
Energy: 2.2912007583809135
Energy: 2.5368683778158516
Energy: 2.28742738866379
Energy: 2.564716419659959
Energy: 2.2808010030384427
Energy: 2.564716419659959
Energy: 2.28742738866379
Energy: 2.564716419659959
Energy: 2.2536488014664227
Energy: 2.2860101155850403
Energy: 2.3377247739664075
Energy: 2.2860101155850403
Energy: 2.2536488014664227
Energy: 2.2860101155850403
Energy: 2.3411400641139473
Energy: 2.29531386554376
Energy: 2.314958506929098
Energy: 2.29531386554376
Energy: 2.3411400641139473
Energy: 2.29531386554376
Energy: 2.354335578761436
Energy: 2.509396515091352
Energy: 2.2811476471485745
Energy: 2.509396515091352
Energy: 2.354335578761436
Energy: 2.509396515091352
Energy: 2.2878868949497417
Energy: 2.285910096573193
Energy: 2.439732661785461
Energy: 2.285910096573193
Energy: 2.2878868949497417
Energy: 2.285910096573193
Energy: 2.2927721144041007
Energy: 2.274417031669376
Energy: 2.3139620030877737
Energy: 2.274417031669376
Energy: 2.2927721144048907
Energy: 2.274417031669376
Energy: 2.288863820144307
Energy: 2.2672024564566517
Energy: 2.256880655224409
Energy: 2.2672024564566517
Energy: 2.288863820144307
Energy: 2.2672024564566517
Energy: 2.2590011069019607
Energy: 2.267034825358212
Energy: 2.2945298223375543
Energy: 2.267034825358212
Energy: 2.2590011069019607
Energy: 2.267034825358212
Energy: 2.2539807774422185
Energy: 2.3135060913092786
Energy: 2.255170156086616
Energy: 2.3135060913092786
Energy: 2.2539807774422185
Energy: 2.3135060913100687
Energy: 2.2593104839491516
Energy: 2.266874941345027
Energy: 2.294353150995145
Energy: 2.266874941345027
Energy: 2.2593104839491516
Energy: 2.266874941345027
Energy: 2.2886743177830464
Energy: 2.519191278301122
Energy: 2.2616766393183116
Energy: 2.519191278301122
Energy: 2.2886743177830464
Energy: 2.519191278301122
Energy: 2.2869618699454044
Energy: 2.264379331974311
Energy: 2.2804864188569565
Energy: 2.264379331974311
Energy: 2.2869618699454044
Energy: 2.264379331974311
Energy: 2.2849441958372028
Energy: 2.28781885355584
Energy: 2.4683621379356957
Energy: 2.28781885355584
Energy: 2.2849441958372028
Energy: 2.28781885355584
Energy: 2.466624438784419
Energy: 2.564716460548826
Energy: 2.312464957816566
Energy: 2.564716460548826
Energy: 2.46662443878363
Energy: 2.564716460548826
Energy: 2.4639847801736456
Energy: 2.3403668391902412
Energy: 2.2811905272641457
Energy: 2.3403668391902412
Energy: 2.4639847801736456
Energy: 2.3403668391902412
Energy: 2.3989155429896525
Energy: 2.2874036158392785
Energy: 2.337662514518711
Energy: 2.2874036158392785
Energy: 2.3989155429896525
Energy: 2.2874036158392785
Energy: 2.2873141901065797
Energy: 2.2509230139256684
Energy: 2.3122377584477154
Energy: 2.2509230139248793
Energy: 2.2873141901065797
Energy: 2.2509230139248793
Energy: 2.2908930161476224
Energy: 2.2808354866370064
Energy: 2.301460533616627
Energy: 2.2808354866370064
Energy: 2.2908930161476224
Energy: 2.2808354866370064
Energy: 2.2537779179436046
Energy: 2.266784826462657
Energy: 2.2669092948666867
Energy: 2.266784826462657
Energy: 2.2537779179436046
Energy: 2.266784826462657
Energy: 2.255060122863919
Energy: 2.3155342384754007
Energy: 2.2666063963656073
Energy: 2.3155342384754007
Energy: 2.255060122863919
Energy: 2.3155342384754007

minimum gb energy = 2.2509230139248793 eV
minimum distance =  2.32337906791954 Angstroms
sigma value = 101


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

Energy: 2.418786907477192
Energy: 2.2076573990440416
Energy: 2.2810732284694657
Energy: 2.2076573990440416
Energy: 2.418786907477192
Energy: 2.2076573990440416
Energy: 2.230062739155325
Energy: 2.1995462721241
Energy: 2.2072566441204335
Energy: 2.1995462721241
Energy: 2.230062739155325
Energy: 2.1995462721241
Energy: 2.1596274248723346
Energy: 2.146629080951235
Energy: 2.207275574577817
Energy: 2.1466290809519286
Energy: 2.1596274248723346
Energy: 2.146629080951235
Energy: 2.1460940189755746
Energy: 2.188570524384225
Energy: 2.135639376303837
Energy: 2.188570524383531
Energy: 2.1460940189755746
Energy: 2.188570524384225
Energy: 2.1503650719319736
Energy: 2.412340925353931
Energy: 2.145793211715653
Energy: 2.412340925353931
Energy: 2.1503650719319736
Energy: 2.412340925353931
Energy: 2.161758120448305
Energy: 2.5616788237509787
Energy: 2.148715139856159
Energy: 2.5616788237509787
Energy: 2.161758120448305
Energy: 2.5616788237509787
Energy: 2.14526022587285
Energy: 2.6036294759809975
Energy: 2.1669687376157074
Energy: 2.6036294759809975
Energy: 2.14526022587285
Energy: 2.6036294759809975
Energy: 2.1382373603872096
Energy: 2.155022687090436
Energy: 2.1429380822598167
Energy: 2.155022687090436
Energy: 2.1382373603872096
Energy: 2.155022687090436
Energy: 2.146080601691165
Energy: 2.1385315040975157
Energy: 2.184119551009424
Energy: 2.1385315040975157
Energy: 2.146080601691165
Energy: 2.138531504096821
Energy: 2.146251254817822
Energy: 2.559580647510496
Energy: 2.1546202563341117
Energy: 2.559580647510496
Energy: 2.146251254817822
Energy: 2.559580647510496
Energy: 2.1522141993648227
Energy: 2.5643833206839926
Energy: 2.2365932842447886
Energy: 2.5643833206839926
Energy: 2.1522141993648227
Energy: 2.5643833206839926
Energy: 2.207374576378959
Energy: 2.4212501392596812
Energy: 2.1544799394291334
Energy: 2.4212501392596812
Energy: 2.207374576378265
Energy: 2.4212501392596812
Energy: 2.207278270762498
Energy: 2.1475333606523748
Energy: 2.147228802980623
Energy: 2.1475333606530684
Energy: 2.207278270762498
Energy: 2.1475333606530684
Energy: 2.1411741131883404
Energy: 2.198880634661684
Energy: 2.207692426979771
Energy: 2.198880634661684
Energy: 2.1411741131883404
Energy: 2.1988806346623777
Energy: 2.193834464360628
Energy: 2.45452066231896
Energy: 2.2307526714232795
Energy: 2.45452066231896
Energy: 2.193834464360628
Energy: 2.45452066231896
Energy: 2.2074260679366424
Energy: 2.1463864653790465
Energy: 2.15984801009563
Energy: 2.1463864653790465
Energy: 2.2074260679366424
Energy: 2.1463864653790465
Energy: 2.1709803452787617
Energy: 2.1394515742289193
Energy: 2.1461634465259083
Energy: 2.1394515742289193
Energy: 2.1709803452794554
Energy: 2.1394515742289193
Energy: 2.1406777853828145
Energy: 2.140490237437434
Energy: 2.146400503033609
Energy: 2.140490237437434
Energy: 2.1406777853828145
Energy: 2.140490237437434
Energy: 2.1629559995764627
Energy: 2.560445097388433
Energy: 2.159916663636289
Energy: 2.560445097388433
Energy: 2.1629559995764627
Energy: 2.560445097388433
Energy: 2.171250064156279
Energy: 2.603497426938246
Energy: 2.146336412865108
Energy: 2.603497426938246
Energy: 2.171250064156279
Energy: 2.603497426938246
Energy: 2.1597300840618123
Energy: 2.160667006696449
Energy: 2.1401095289539236
Energy: 2.160667006696449
Energy: 2.1597300840618123
Energy: 2.160667006696449
Energy: 2.1528589785549297
Energy: 2.397792586916656
Energy: 2.146123364257181
Energy: 2.3977925869159624
Energy: 2.1528589785549297
Energy: 2.3977925869159624
Energy: 2.1679889018733562
Energy: 2.5604422991117013
Energy: 2.1465055466600997
Energy: 2.5604422991117013
Energy: 2.1679889018733562
Energy: 2.5604422991117013
Energy: 2.1461428820338004
Energy: 2.1418614308400836
Energy: 2.280408268582222
Energy: 2.1418614308400836
Energy: 2.1461428820338004
Energy: 2.1418614308400836
Energy: 2.150611977332676
Energy: 2.414829241727469
Energy: 2.1942163083651414
Energy: 2.414829241727469
Energy: 2.150611977332676
Energy: 2.414829241727469
Energy: 2.2232902627688214
Energy: 2.146303597187295
Energy: 2.207403634528047
Energy: 2.146303597187295
Energy: 2.2232902627688214
Energy: 2.146303597187295
Energy: 2.2288394605257698
Energy: 2.213972161269988
Energy: 2.170778623660585
Energy: 2.213972161269988
Energy: 2.2288394605257698
Energy: 2.213972161269988
Energy: 2.229744522664765
Energy: 2.214058446627215
Energy: 2.1709580855223782
Energy: 2.214058446627215
Energy: 2.229744522664765
Energy: 2.214058446627215
Energy: 2.391391676254219
Energy: 2.1474685013152244
Energy: 2.298340749456234
Energy: 2.1474685013152244
Energy: 2.391391676254219
Energy: 2.1474685013152244
Energy: 2.1461356268623657
Energy: 2.1663512587358302
Energy: 2.1709600620731737
Energy: 2.1663512587351366
Energy: 2.1461356268623657
Energy: 2.1663512587351366
Energy: 2.1461188819331065
Energy: 2.14036065567816
Energy: 2.1406268439147556
Energy: 2.1403606556774664
Energy: 2.1461188819331065
Energy: 2.14036065567816
Energy: 2.223399761795392
Energy: 2.5622497559849617
Energy: 2.1488989379213876
Energy: 2.5622497559849617
Energy: 2.223399761795392
Energy: 2.562249755985656
Energy: 2.150525592067428
Energy: 2.1742176396508373
Energy: 2.1473448098402246
Energy: 2.1742176396508373
Energy: 2.150525592067428
Energy: 2.1742176396508373

minimum gb energy = 2.135639376303837 eV
minimum distance =  2.33591632903228 Angstroms
sigma value = 33


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

Energy: 0.00892025859719593
Energy: 0.009498330161143285
Energy: 2.068671030360104
Energy: 0.009498330161143285
Energy: 0.00892025859719593
Energy: 0.009498330161143285
Energy: 0.010347296677090832
Energy: 1.7260398125248424
Energy: 0.010347296677090832
Energy: 1.7260398125237213
Energy: 0.010347296677090832
Energy: 1.7260398125237213
Energy: 2.068671030360104
Energy: 0.009498330161143285
Energy: 0.00892025859719593
Energy: 0.009498330161143285
Energy: 2.068671030360104
Energy: 0.009498330161143285
Energy: 0.010347296677090832
Energy: 1.7260398125237213
Energy: 0.010347296677090832
Energy: 1.7260398125237213
Energy: 0.010347296677090832
Energy: 1.7260398125237213

minimum gb energy = 0.00892025859719593 eV
minimum distance =  2.72906827375477 Angstroms
sigma value = 1