Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645762205124
cohesive_energy=4.290547094706602
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013215405639822079
Energy: 0.013778709386909655
Energy: 0.5542287490977571
Energy: 0.013778709386909655
Energy: 0.013215405639822079
Energy: 0.013778709386909655
Energy: 0.013778709386909655
Energy: 2.5529779556383385
Energy: 0.013778709386909655
Energy: 3.2051352313531956
Energy: 0.013778709386909655
Energy: 2.5529779556383385
Energy: 0.5542287490977571
Energy: 0.013778709386909655
Energy: 0.013215405640321842
Energy: 0.013778709386909655
Energy: 0.5542287490977571
Energy: 0.013778709386909655
Energy: 0.013778709386909655
Energy: 3.205135231353695
Energy: 0.013778709386909655
Energy: 2.9248879392303824
Energy: 0.013778709386909655
Energy: 2.5529779556383385
Energy: 0.013215405639822079
Energy: 0.013778709386909655
Energy: 0.5542287490982568
Energy: 0.013778709386909655
Energy: 0.013215405639822079
Energy: 0.013778709386909655
Energy: 0.013778709386909655
Energy: 2.552977955637839
Energy: 0.013778709386909655
Energy: 2.5529779556383385
Energy: 0.013778709386909655
Energy: 2.5529779556383385

minimum gb energy = 0.013215405639822079 eV
minimum distance =  2.39144345174453 Angstroms
sigma value = 1


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

Energy: 1.297347649219875
Energy: 1.2738052902096235
Energy: 1.2747209369394559
Energy: 1.2738052902096235
Energy: 1.297347649219875
Energy: 1.2738052902096235
Energy: 1.2580888350551152
Energy: 1.253366761475534
Energy: 1.2042252895506709
Energy: 1.253366761475534
Energy: 1.2580888350551152
Energy: 1.253366761475534
Energy: 1.2125419202381904
Energy: 1.2531258151974185
Energy: 1.2903466750567176
Energy: 1.2531258151974185
Energy: 1.2125419202381904
Energy: 1.2531258151974185
Energy: 1.3609057870395578
Energy: 1.2338082852322634
Energy: 1.210521606057391
Energy: 1.2338082852334664
Energy: 1.3609057870395578
Energy: 1.2338082852334664
Energy: 1.3203362198544513
Energy: 1.2745376602183394
Energy: 1.2573639720870717
Energy: 1.2745376602183394
Energy: 1.3203362198556545
Energy: 1.2745376602183394
Energy: 1.2903394639647026
Energy: 1.2526222106916585
Energy: 1.2199189856551986
Energy: 1.2526222106916585
Energy: 1.2903394639647026
Energy: 1.2526222106916585
Energy: 1.2904590652148251
Energy: 1.2528333038974535
Energy: 1.2159664766596616
Energy: 1.2528333038974535
Energy: 1.290459065216028
Energy: 1.2528333038974535
Energy: 1.3483074167296225
Energy: 1.2744527612708578
Energy: 1.1996551803999562
Energy: 1.2744527612708578
Energy: 1.3483074167296225
Energy: 1.2744527612708578
Energy: 1.3575695209161496
Energy: 1.23383334098216
Energy: 1.208911498852402
Energy: 1.23383334098216
Energy: 1.3575695209161496
Energy: 1.23383334098216
Energy: 1.2928806781219582
Energy: 1.2530673585712582
Energy: 1.219788133268845
Energy: 1.2530673585712582
Energy: 1.2928806781219582
Energy: 1.2530673585712582
Energy: 1.2182009462538461
Energy: 1.2433016388532536
Energy: 1.2715127740763519
Energy: 1.2433016388532536
Energy: 1.2182009462538461
Energy: 1.2433016388532536
Energy: 1.2012992404501004
Energy: 1.2742136971798232
Energy: 1.2012853218059605
Energy: 1.2742136971798232
Energy: 1.2012992404501004
Energy: 1.2742136971786202
Energy: 1.271304153340644
Energy: 1.2433016388520506
Energy: 1.2538197839002667
Energy: 1.2433016388520506
Energy: 1.271304153340644
Energy: 1.2433016388520506
Energy: 1.219786677736312
Energy: 1.2530690330826235
Energy: 1.2927982557328854
Energy: 1.2530690330826235
Energy: 1.219786677736312
Energy: 1.2530690330826235
Energy: 1.2090832037748593
Energy: 1.233828626277128
Energy: 1.357608915800974
Energy: 1.233828626277128
Energy: 1.2090832037748593
Energy: 1.233828626277128
Energy: 1.1998230925473032
Energy: 1.2747821589971617
Energy: 1.3483397945201556
Energy: 1.2747821589971617
Energy: 1.1998230925473032
Energy: 1.2747821589971617
Energy: 1.2172787572211077
Energy: 1.2530310216512808
Energy: 1.2900689601933861
Energy: 1.2530310216512808
Energy: 1.2172787572211077
Energy: 1.2530310216512808
Energy: 1.2200425457955335
Energy: 1.252623402394774
Energy: 1.2904129797025312
Energy: 1.2526234023935712
Energy: 1.2200425457955335
Energy: 1.2526234023935712
Energy: 1.3282653785339427
Energy: 1.27457747476301
Energy: 1.320375241020638
Energy: 1.27457747476301
Energy: 1.3282653785339427
Energy: 1.27457747476301
Energy: 1.2105764570701487
Energy: 1.2338166288531371
Energy: 1.3609022775701256
Energy: 1.2338166288531371
Energy: 1.2105764570701487
Energy: 1.2338166288531371
Energy: 1.290301230007225
Energy: 1.2531182879052096
Energy: 1.2125517560461812
Energy: 1.2531182879052096
Energy: 1.290301230007225
Energy: 1.2531182879052096
Energy: 1.2037665135004336
Energy: 1.2533891254663028
Energy: 1.2582559339893884
Energy: 1.2533891254663028
Energy: 1.2037665134992306
Energy: 1.2533891254663028
Energy: 1.2975671967661584
Energy: 1.2738052902096235
Energy: 1.2973476492210778
Energy: 1.2738052902084205
Energy: 1.2975671967661584
Energy: 1.2738052902084205

minimum gb energy = 1.1996551803999562 eV
minimum distance =  2.28706299292179 Angstroms
sigma value = 33


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

Energy: 1.8645884219584008
Energy: 1.350908905445062
Energy: 1.3066595597226693
Energy: 1.350908905445062
Energy: 1.8645884219584008
Energy: 1.3509089054457466
Energy: 1.3313824996470303
Energy: 1.3153317391174735
Energy: 1.2818588071328214
Energy: 1.3153317391161048
Energy: 1.3313824996470303
Energy: 1.3153317391154205
Energy: 1.2625019656703749
Energy: 1.34178350471185
Energy: 1.384252833110088
Energy: 1.34178350471185
Energy: 1.2625019656703749
Energy: 1.34178350471185
Energy: 1.3258078252347276
Energy: 1.3086016109858287
Energy: 1.4282884006571137
Energy: 1.3086016109851444
Energy: 1.3258078252354117
Energy: 1.3086016109851444
Energy: 1.3246819742173734
Energy: 1.3205946107463273
Energy: 1.3861164325981905
Energy: 1.3205946107463273
Energy: 1.3246819742180576
Energy: 1.3205946107463273
Energy: 1.2922608503135444
Energy: 1.3268655392219377
Energy: 1.276305777466213
Energy: 1.326865539222622
Energy: 1.292260850312176
Energy: 1.3268655392219377
Energy: 1.2949213871815932
Energy: 1.326874267139017
Energy: 1.3119235052174376
Energy: 1.3268742671403857
Energy: 1.2949213871815932
Energy: 1.3268742671403857
Energy: 1.2901335924891892
Energy: 1.3258386297898794
Energy: 1.2792117458808758
Energy: 1.325838629791932
Energy: 1.2901335924885051
Energy: 1.325838629791932
Energy: 1.2936768358542183
Energy: 1.3041093956310281
Energy: 1.2794800385766791
Energy: 1.304109395630344
Energy: 1.293676835853534
Energy: 1.304109395630344
Energy: 1.3186045224912537
Energy: 1.3419446106196542
Energy: 1.3245589170019367
Energy: 1.3419446106176016
Energy: 1.3186045224912537
Energy: 1.341944610618286
Energy: 1.2775342558973433
Energy: 1.395753396174789
Energy: 1.2933465702332485
Energy: 1.3957533961734208
Energy: 1.2775342558973433
Energy: 1.3957533961734208
Energy: 1.5054547630259876
Energy: 1.3283904926962653
Energy: 1.32376363797165
Energy: 1.3283904926962653
Energy: 1.5054547630259876
Energy: 1.328390492695581
Energy: 1.4312187411709805
Energy: 1.3105022055816957
Energy: 1.3038612391913127
Energy: 1.3105022055830642
Energy: 1.4312187411709805
Energy: 1.3105022055823796
Energy: 1.2981729320623463
Energy: 1.3414309286735233
Energy: 1.291444162412516
Energy: 1.3414309286735233
Energy: 1.298172932061662
Energy: 1.3414309286735233
Energy: 1.384214995763295
Energy: 1.3278817405300962
Energy: 1.344187953905944
Energy: 1.3278817405300962
Energy: 1.384214995763295
Energy: 1.3278817405300962
Energy: 1.3845816034798726
Energy: 1.327746367135502
Energy: 1.3113574081149522
Energy: 1.327746367135502
Energy: 1.3845816034798726
Energy: 1.327746367135502
Energy: 1.394239608778516
Energy: 1.3215628624844922
Energy: 1.3243796089465565
Energy: 1.3215628624838078
Energy: 1.394239608778516
Energy: 1.3215628624838078
Energy: 1.4176793050847323
Energy: 1.3164803601543453
Energy: 1.40655636183338
Energy: 1.316480360153661
Energy: 1.4176793050854168
Energy: 1.316480360153661
Energy: 1.2760339857658707
Energy: 1.3257573731404944
Energy: 1.2791673944048292
Energy: 1.325757373141179
Energy: 1.2760339857658707
Energy: 1.3257573731404944
Energy: 1.2822235269881161
Energy: 1.3039783062511945
Energy: 1.2940487561705405
Energy: 1.3039783062505104
Energy: 1.2822235269874316
Energy: 1.3039783062511945
Energy: 1.5044504243699879
Energy: 1.3520560992199948
Energy: 1.2923803147803414
Energy: 1.3520560992206792
Energy: 1.5044504243706722
Energy: 1.3520560992206792
Energy: 1.298437490348091
Energy: 1.319636102096635
Energy: 1.3243590153989568
Energy: 1.3196361020973189
Energy: 1.298437490347407
Energy: 1.3196361020973189
Energy: 1.3241200158322646
Energy: 1.3215061409377358
Energy: 1.4297926648412698
Energy: 1.3215061409391042
Energy: 1.3241200158322646
Energy: 1.3215061409391042
Energy: 1.453921959812202
Energy: 1.3156510804751131
Energy: 1.282177834301946
Energy: 1.3156510804751131
Energy: 1.453921959812202
Energy: 1.3156510804751131
Energy: 1.3437163122029327
Energy: 1.3291905582404457
Energy: 1.3841185463102736
Energy: 1.3291905582431827
Energy: 1.343716312203617
Energy: 1.3291905582431827
Energy: 1.326613131242579
Energy: 1.3502308097684812
Energy: 1.2899331127327303
Energy: 1.3502308097684812
Energy: 1.3266131312432632
Energy: 1.3502308097677966
Energy: 1.3028940429277984
Energy: 1.350487417637315
Energy: 1.3011036464714238
Energy: 1.3504874176366306
Energy: 1.3028940429277984
Energy: 1.3504874176366306
Energy: 1.344168876968083
Energy: 1.3293502619997963
Energy: 1.3841730219602904
Energy: 1.3293502619984277
Energy: 1.344168876968083
Energy: 1.3293502619984277
Energy: 1.4555251107624332
Energy: 1.3156992269893
Energy: 1.2824194137810745
Energy: 1.3156992269879313
Energy: 1.4555251107617488
Energy: 1.315699226987247
Energy: 1.3240474288187614
Energy: 1.3214016803321065
Energy: 1.39404270424726
Energy: 1.3214016803314221
Energy: 1.3240474288187614
Energy: 1.3214016803321065
Energy: 1.2768780883160724
Energy: 1.3196361020973189
Energy: 1.38625073890119
Energy: 1.3196361020973189
Energy: 1.2768780883153883
Energy: 1.3196361020973189
Energy: 1.5045159922216667
Energy: 1.3519034697909416
Energy: 1.276235844832831
Energy: 1.3519034697895729
Energy: 1.5045159922216667
Energy: 1.3519034697888888
Energy: 1.2825656624220145
Energy: 1.3040893386906942
Energy: 1.3860751206310487
Energy: 1.3040893386906942
Energy: 1.2825656624213304
Energy: 1.3040893386900096
Energy: 1.276052971242506
Energy: 1.3257779959456388
Energy: 1.3219413648890204
Energy: 1.3257779959435863
Energy: 1.276052971242506
Energy: 1.3257779959435863
Energy: 1.394186438100609
Energy: 1.3163779610217705
Energy: 1.3900763811291394
Energy: 1.3163779610210862
Energy: 1.3941864381012934
Energy: 1.3163779610210862
Energy: 1.393970063866783
Energy: 1.3217616651575559
Energy: 1.324240916593126
Energy: 1.3217616651568715
Energy: 1.393970063866783
Energy: 1.3217616651568715
Energy: 1.384135642097441
Energy: 1.328068347800904
Energy: 1.3434610681667254
Energy: 1.32806834780022
Energy: 1.384135642097441
Energy: 1.32806834780022
Energy: 1.384110168255426
Energy: 1.3278537702578206
Energy: 1.4355223519556122
Energy: 1.3278537702591893
Energy: 1.384110168255426
Energy: 1.3278537702591893
Energy: 1.328487331548686
Energy: 1.3411904688461296
Energy: 1.2914358683986344
Energy: 1.3411904688468137
Energy: 1.328487331548686
Energy: 1.3411904688468137
Energy: 1.4194036229439488
Energy: 1.3105067045786492
Energy: 1.305826281801814
Energy: 1.3105067045786492
Energy: 1.4194036229439488
Energy: 1.310506704577965
Energy: 1.5054389075833239
Energy: 1.3284174535956825
Energy: 1.3433618976924198
Energy: 1.3284174535949984
Energy: 1.5054389075833239
Energy: 1.3284174535949984

minimum gb energy = 1.2625019656703749 eV
minimum distance =  2.25993400231965 Angstroms
sigma value = 51


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

Energy: 1.7272722497989197
Energy: 1.4250196204976975
Energy: 1.28547585822849
Energy: 1.4250196204976975
Energy: 1.7272722497989197
Energy: 1.4250196204976975
Energy: 1.35670578477218
Energy: 1.3601537302634445
Energy: 1.510545039512422
Energy: 1.3601537302634445
Energy: 1.35670578477218
Energy: 1.3601537302618592
Energy: 1.3233314076936484
Energy: 1.3610084970670802
Energy: 1.4496619352102913
Energy: 1.3610084970654948
Energy: 1.3233314076936484
Energy: 1.3610084970670802
Energy: 1.3352117809297988
Energy: 1.3602445474873852
Energy: 1.5106638310257605
Energy: 1.3602445474873852
Energy: 1.335211780931384
Energy: 1.3602445474873852
Energy: 1.3361114076032494
Energy: 1.3611411249411107
Energy: 1.4238608021003187
Energy: 1.3611411249426961
Energy: 1.3361114076032494
Energy: 1.3611411249426961
Energy: 1.5183887814053487
Energy: 1.313327969153493
Energy: 1.501565941198162
Energy: 1.313327969153493
Energy: 1.5183887814053487
Energy: 1.313327969153493
Energy: 1.518503860196596
Energy: 1.3164844457554363
Energy: 1.4922453488458074
Energy: 1.3164844457554363
Energy: 1.518503860196596
Energy: 1.3164844457554363
Energy: 1.3356336555753632
Energy: 1.3599857571509368
Energy: 1.3145428060150728
Energy: 1.3599857571509368
Energy: 1.3356336555753632
Energy: 1.3599857571509368
Energy: 1.5183589434858178
Energy: 1.4060655913046223
Energy: 1.2801173239590111
Energy: 1.4060655913046223
Energy: 1.5183589434858178
Energy: 1.4060655913046223
Energy: 1.3243070899157292
Energy: 1.3618622319143612
Energy: 1.3142447573611094
Energy: 1.3618622319143612
Energy: 1.3243070899157292
Energy: 1.3618622319143612
Energy: 1.5322237283367213
Energy: 1.3441137255122728
Energy: 1.516653966229585
Energy: 1.3441137255138582
Energy: 1.5322237283367213
Energy: 1.3441137255138582
Energy: 1.482585963084473
Energy: 1.4253352445185852
Energy: 1.501553802399032
Energy: 1.4253352445185852
Energy: 1.482585963084473
Energy: 1.4253352445185852
Energy: 1.4563501582084049
Energy: 1.360207711586052
Energy: 1.5104219479296377
Energy: 1.360207711586052
Energy: 1.4563501582084049
Energy: 1.360207711586052
Energy: 1.3241356989472934
Energy: 1.3615505411364706
Energy: 1.5114745732084052
Energy: 1.3615505411380557
Energy: 1.324135698948879
Energy: 1.3615505411380557
Energy: 1.3231563639338308
Energy: 1.3661178050086078
Energy: 1.510602434507292
Energy: 1.3661178050086078
Energy: 1.3231563639338308
Energy: 1.3661178050086078
Energy: 1.3345891236121614
Energy: 1.3623774236100998
Energy: 1.511501055239079
Energy: 1.3623774236085144
Energy: 1.3345891236121614
Energy: 1.3623774236085144
Energy: 1.5181258570426237
Energy: 1.366418753587952
Energy: 1.501298014189341
Energy: 1.366418753587952
Energy: 1.518125857044209
Energy: 1.366418753587952
Energy: 1.5184888758958812
Energy: 1.3192293639185995
Energy: 1.4923463939762456
Energy: 1.3192293639185995
Energy: 1.5184888758958812
Energy: 1.3192293639185995

minimum gb energy = 1.2801173239590111 eV
minimum distance =  2.25064032971985 Angstroms
sigma value = 19


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

Energy: 1.6513261175339276
Energy: 1.421906731432086
Energy: 1.421590499471133
Energy: 1.421906731432086
Energy: 1.6513261175339276
Energy: 1.421906731432086
Energy: 1.313774543035459
Energy: 1.4051026568751537
Energy: 1.3378649397471736
Energy: 1.4051026568751537
Energy: 1.3137745430345187
Energy: 1.4051026568751537
Energy: 1.2807718851886407
Energy: 1.415738989954717
Energy: 1.4397993925989467
Energy: 1.415738989954717
Energy: 1.2807718851886407
Energy: 1.415738989954717
Energy: 1.3467957774390296
Energy: 1.3899491502389938
Energy: 1.3377014318194012
Energy: 1.3899491502389938
Energy: 1.3467957774390296
Energy: 1.3899491502389938
Energy: 1.3143217479225757
Energy: 1.422104593629817
Energy: 1.3175003502494287
Energy: 1.422104593629817
Energy: 1.3143217479225757
Energy: 1.422104593629817
Energy: 1.4554867331364716
Energy: 1.4220960202622348
Energy: 1.3143068543293281
Energy: 1.4220960202622348
Energy: 1.4554867331364716
Energy: 1.4220960202622348
Energy: 1.3377537303072382
Energy: 1.3899499317810509
Energy: 1.3138396003113628
Energy: 1.3899499317801105
Energy: 1.3377537303072382
Energy: 1.3899499317801105
Energy: 1.4398185444497142
Energy: 1.4157435680409922
Energy: 1.2807678200798684
Energy: 1.4157435680409922
Energy: 1.4398185444497142
Energy: 1.4157435680409922
Energy: 1.3379182429844168
Energy: 1.4050574087601833
Energy: 1.2808548109429614
Energy: 1.4050574087601833
Energy: 1.3379182429844168
Energy: 1.4050574087601833
Energy: 1.4429283886051536
Energy: 1.421906731432086
Energy: 1.6513261175339276
Energy: 1.421906731432086
Energy: 1.4429283886051536
Energy: 1.421906731432086
Energy: 1.3378649397471736
Energy: 1.4051026568751537
Energy: 1.280791661560901
Energy: 1.4051026568751537
Energy: 1.337864939748114
Energy: 1.4051026568751537
Energy: 1.4397993925980062
Energy: 1.415738989953777
Energy: 1.2807718851886407
Energy: 1.415738989953777
Energy: 1.4397993925980062
Energy: 1.415738989953777
Energy: 1.3377014318184606
Energy: 1.3899491502389938
Energy: 1.3767019339203677
Energy: 1.3899491502389938
Energy: 1.3377014318184606
Energy: 1.3899491502389938
Energy: 1.3907280039377377
Energy: 1.422104593629817
Energy: 1.3143217479225757
Energy: 1.422104593629817
Energy: 1.3907280039367973
Energy: 1.422104593629817
Energy: 1.3143068543293281
Energy: 1.4220960202622348
Energy: 1.3376535631543744
Energy: 1.4220960202622348
Energy: 1.3143068543293281
Energy: 1.4220960202622348
Energy: 1.3138396003113628
Energy: 1.3899499317801105
Energy: 1.3377537303072382
Energy: 1.3899499317801105
Energy: 1.3138396003113628
Energy: 1.3899499317801105
Energy: 1.2807678200798684
Energy: 1.4157435680409922
Energy: 1.4398185444497142
Energy: 1.4157435680419326
Energy: 1.2807678200798684
Energy: 1.4157435680409922
Energy: 1.2808548109429614
Energy: 1.4050574087601833
Energy: 1.3379182429844168
Energy: 1.4050574087601833
Energy: 1.2808548109429614
Energy: 1.4050574087601833
Energy: 1.6513261175339276
Energy: 1.421906731432086
Energy: 1.4429283886060937
Energy: 1.421906731432086
Energy: 1.6513261175339276
Energy: 1.421906731432086
Energy: 1.280791661560901
Energy: 1.4051026568751537
Energy: 1.3378649397471736
Energy: 1.4051026568751537
Energy: 1.280791661560901
Energy: 1.4051026568751537
Energy: 1.2807718851886407
Energy: 1.415738989954717
Energy: 1.4397993925989467
Energy: 1.415738989954717
Energy: 1.2807718851886407
Energy: 1.415738989954717
Energy: 1.3767019339213082
Energy: 1.3899491502389938
Energy: 1.3377014318194012
Energy: 1.3899491502389938
Energy: 1.3767019339213082
Energy: 1.3899491502389938
Energy: 1.3143217479225757
Energy: 1.422104593629817
Energy: 1.3907280039367973
Energy: 1.422104593629817
Energy: 1.3143217479225757
Energy: 1.422104593629817
Energy: 1.3376535631524937
Energy: 1.4220960202622348
Energy: 1.3143068543293281
Energy: 1.4220960202622348
Energy: 1.3376535631534339
Energy: 1.4220960202622348
Energy: 1.3377537303072382
Energy: 1.3899499317801105
Energy: 1.3138396003113628
Energy: 1.3899499317801105
Energy: 1.3377537303072382
Energy: 1.3899499317801105
Energy: 1.4398185444497142
Energy: 1.4157435680409922
Energy: 1.2807678200798684
Energy: 1.4157435680409922
Energy: 1.4398185444497142
Energy: 1.4157435680409922
Energy: 1.3379182429844168
Energy: 1.4050574087601833
Energy: 1.2808548109429614
Energy: 1.4050574087601833
Energy: 1.3379182429844168
Energy: 1.4050574087601833
Energy: 1.4399418059711169
Energy: 1.421906731432086
Energy: 1.6513261175329872
Energy: 1.4219067314330263
Energy: 1.4399418059711169
Energy: 1.4219067314330263
Energy: 1.3378649397471736
Energy: 1.4051026568751537
Energy: 1.280791661560901
Energy: 1.4051026568751537
Energy: 1.3378649397471736
Energy: 1.4051026568751537
Energy: 1.4397993925989467
Energy: 1.415738989953777
Energy: 1.2807718851886407
Energy: 1.415738989953777
Energy: 1.4397993925989467
Energy: 1.415738989953777

minimum gb energy = 1.2807678200798684 eV
minimum distance =  2.24529116923754 Angstroms
sigma value = 27


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

Energy: 1.1880151914049677
Energy: 1.3344344803654682
Energy: 1.4733252736839957
Energy: 1.3344344803654682
Energy: 1.1880151914047583
Energy: 1.3344344803654682
Energy: 1.1795833863597416
Energy: 1.3077824462700531
Energy: 1.2093886136530623
Energy: 1.307782446269844
Energy: 1.1795833863599774
Energy: 1.307782446269844
Energy: 1.2103291722181182
Energy: 1.4953559991131884
Energy: 1.2113710722180295
Energy: 1.495355999113424
Energy: 1.2103291722181182
Energy: 1.4953559991131884
Energy: 1.1849707049545173
Energy: 1.3362834010275937
Energy: 1.2131712044179213
Energy: 1.3362834010282743
Energy: 1.1849707049549885
Energy: 1.3362834010280387
Energy: 1.2367197161526176
Energy: 1.3350362386924868
Energy: 1.2072223844642842
Energy: 1.3350362386922772
Energy: 1.2367197161521462
Energy: 1.3350362386922772
Energy: 1.2095459112314253
Energy: 1.496911909947446
Energy: 1.2098329743857956
Energy: 1.496911909947446
Energy: 1.2095459112314253
Energy: 1.496911909947446
Energy: 1.2102730088808973
Energy: 1.3095895395034227
Energy: 1.2097213938629667
Energy: 1.3095895395034227
Energy: 1.2102730088806615
Energy: 1.3095895395034227
Energy: 1.1849469620534598
Energy: 1.3354257275945998
Energy: 1.210040074459634
Energy: 1.3354257275943904
Energy: 1.1849469620536954
Energy: 1.3354257275943904
Energy: 1.209686695743009
Energy: 1.3355456600755253
Energy: 1.179861346394136
Energy: 1.33554566007597
Energy: 1.209686695743009
Energy: 1.3355456600757347
Energy: 1.2096093633992155
Energy: 1.4953031576007532
Energy: 1.2096118988698927
Energy: 1.495303157600544
Energy: 1.2096093633992155
Energy: 1.495303157600544
Energy: 1.210667248873321
Energy: 1.3355109162925898
Energy: 1.2096640298387622
Energy: 1.3355109162928254
Energy: 1.210667248873321
Energy: 1.3355109162925898
Energy: 1.2100582092571928
Energy: 1.3354263070794308
Energy: 1.1849379124391108
Energy: 1.3354263070794308
Energy: 1.2100582092567476
Energy: 1.3354263070794308

minimum gb energy = 1.1795833863597416 eV
minimum distance =  2.26535758798034 Angstroms
sigma value = 9


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

Energy: 1.6603851638262677
Energy: 1.507248353384653
Energy: 1.377518451592519
Energy: 1.507248353384653
Energy: 1.6603851638269145
Energy: 1.507248353384653
Energy: 1.361623117308031
Energy: 1.4513550094551881
Energy: 1.3233580885138996
Energy: 1.4720351394499465
Energy: 1.361623117308031
Energy: 1.4513550094551881
Energy: 1.323579657752642
Energy: 1.4896968221732991
Energy: 1.3235847343786062
Energy: 1.489696822172652
Energy: 1.323579657752642
Energy: 1.489696822172652
Energy: 1.2838353485870302
Energy: 1.462222349634311
Energy: 1.2475031667903427
Energy: 1.462222349634311
Energy: 1.2838353485870302
Energy: 1.462222349634311
Energy: 1.2818983923157174
Energy: 1.461147234868343
Energy: 1.2676987097575556
Energy: 1.461147234868343
Energy: 1.2818983923157174
Energy: 1.461147234868343
Energy: 1.2595755257283603
Energy: 1.407555436583643
Energy: 1.323113804232675
Energy: 1.4283096784917422
Energy: 1.2595755257283603
Energy: 1.4075554365829959
Energy: 1.4143178318567893
Energy: 1.4753119870229168
Energy: 1.3216395776334668
Energy: 1.4753119870229168
Energy: 1.4143178318567893
Energy: 1.4753119870229168
Energy: 1.4722030346508868
Energy: 1.4623294864810101
Energy: 1.3408496929540485
Energy: 1.4623294864810101
Energy: 1.472203034651534
Energy: 1.4623294864810101
Energy: 1.321746998494386
Energy: 1.4178322574914448
Energy: 1.338138899756195
Energy: 1.4178322574914448
Energy: 1.3217469984956804
Energy: 1.4178322574914448
Energy: 1.4673122538242276
Energy: 1.4904822341233563
Energy: 1.2813105033149343
Energy: 1.4904822341233563
Energy: 1.4673122538235803
Energy: 1.4904822341233563
Energy: 1.3191810226412617
Energy: 1.4555879755100767
Energy: 1.323364259848638
Energy: 1.4555879755100767
Energy: 1.3191810226412617
Energy: 1.4555879755100767
Energy: 1.3375975367087767
Energy: 1.4623472093133214
Energy: 1.3318962102578857
Energy: 1.4623472093133214
Energy: 1.3375975367081296
Energy: 1.4623472093133214
Energy: 1.257845058844245
Energy: 1.4091741270782694
Energy: 1.2514615231334547
Energy: 1.4091741270776224
Energy: 1.2578450588448922
Energy: 1.4091741270782694
Energy: 1.4146110154039748
Energy: 1.4911554532701108
Energy: 1.25092616434072
Energy: 1.4911554532701108
Energy: 1.4146110154046223
Energy: 1.4911554532701108
Energy: 1.339744178489936
Energy: 1.4644650536992136
Energy: 1.3247079523513194
Energy: 1.4644650536992136
Energy: 1.339744178489936
Energy: 1.4644650536985664
Energy: 1.3479460245386188
Energy: 1.4477274857480322
Energy: 1.3314084107079651
Energy: 1.4477274857480322
Energy: 1.3479460245392658
Energy: 1.4477274857480322
Energy: 1.3311807252970764
Energy: 1.4931922689752362
Energy: 1.2816537059247164
Energy: 1.4931922689752362
Energy: 1.3311807252970764
Energy: 1.493192268974589
Energy: 1.248936576063764
Energy: 1.4074132685463152
Energy: 1.336517188362895
Energy: 1.4074132685463152
Energy: 1.2489365760624696
Energy: 1.4074132685463152
Energy: 1.3233132113253063
Energy: 1.494733359386558
Energy: 1.2576031545901274
Energy: 1.4947333593859107
Energy: 1.3233132113253063
Energy: 1.4947333593859107
Energy: 1.2578202961324558
Energy: 1.490289045166955
Energy: 1.257772755886876
Energy: 1.495506366643081
Energy: 1.2578202961324558
Energy: 1.495506366643081
Energy: 1.2578257462274354
Energy: 1.494770355089237
Energy: 1.323844278735666
Energy: 1.494770355089237
Energy: 1.2578257462274354
Energy: 1.49477035508859
Energy: 1.3367030506936395
Energy: 1.4074464252841559
Energy: 1.248959191850615
Energy: 1.4074464252841559
Energy: 1.3367030506936395
Energy: 1.4074464252841559
Energy: 1.2817774675762963
Energy: 1.4930229768054584
Energy: 1.3308280312263931
Energy: 1.4930229768054584
Energy: 1.2817774675762963
Energy: 1.4930229768054584
Energy: 1.3314055014654158
Energy: 1.4476264707665514
Energy: 1.3480416373005957
Energy: 1.4476264707665514
Energy: 1.3314055014654158
Energy: 1.4476264707665514
Energy: 1.3244030057354994
Energy: 1.4644863943341435
Energy: 1.3398984015964055
Energy: 1.4644863943341435
Energy: 1.3244030057348521
Energy: 1.4644863943341435
Energy: 1.2510352941987193
Energy: 1.4911398253124781
Energy: 1.414587176785922
Energy: 1.4911398253118309
Energy: 1.2510352941993663
Energy: 1.4911398253118309
Energy: 1.2516920362770496
Energy: 1.409203458479439
Energy: 1.2578447697108235
Energy: 1.409203458479439
Energy: 1.2516920362770496
Energy: 1.409203458479439
Energy: 1.3316793128214364
Energy: 1.4623139208155997
Energy: 1.3377522552955567
Energy: 1.4623139208155997
Energy: 1.3316793128214364
Energy: 1.4623139208155997
Energy: 1.323427519400247
Energy: 1.455853491075238
Energy: 1.3248422259288413
Energy: 1.455853491075238
Energy: 1.323427519400247
Energy: 1.455853491075238
Energy: 1.281280343964916
Energy: 1.4906695584581222
Energy: 1.467561569305819
Energy: 1.4906695584581222
Energy: 1.281280343964916
Energy: 1.4906695584581222
Energy: 1.3234885559156497
Energy: 1.4178322574933864
Energy: 1.32167387999684
Energy: 1.4178322574940336
Energy: 1.3234885559156497
Energy: 1.4178322574940336
Energy: 1.3409134738344586
Energy: 1.4623244232758896
Energy: 1.4721997571656718
Energy: 1.4623244232752424
Energy: 1.340913473835753
Energy: 1.4623244232752424
Energy: 1.3193270323615305
Energy: 1.4753137937740515
Energy: 1.4145725186346756
Energy: 1.4753137937740515
Energy: 1.3193270323628246
Energy: 1.4753137937740515
Energy: 1.3232738811015818
Energy: 1.4464531248199328
Energy: 1.2595769571197029
Energy: 1.4464531248205803
Energy: 1.3232738811015818
Energy: 1.4464531248199328
Energy: 1.2478767265966564
Energy: 1.4611119462718793
Energy: 1.2818989253751434
Energy: 1.4611119462718793
Energy: 1.2478767265960091
Energy: 1.4611119462718793
Energy: 1.2474310060470546
Energy: 1.4622692948465403
Energy: 1.283821989488197
Energy: 1.4622692948471876
Energy: 1.247431006047702
Energy: 1.4622692948465403
Energy: 1.3237047950243863
Energy: 1.4896615234506707
Energy: 1.3235757109724853
Energy: 1.4896615234506707
Energy: 1.3237047950243863
Energy: 1.4896615234506707
Energy: 1.3234079498374103
Energy: 1.4434156422302795
Energy: 1.3613133019099466
Energy: 1.4434156422302795
Energy: 1.3234079498380575
Energy: 1.4434156422302795
Energy: 1.3607186137868412
Energy: 1.5072483533840058
Energy: 1.6603851638269145
Energy: 1.507248353384653
Energy: 1.3607186137868412
Energy: 1.5072483533840058
Energy: 1.3233580885145468
Energy: 1.4513550094551881
Energy: 1.3616231173067366
Energy: 1.4513550094558354
Energy: 1.323358088515194
Energy: 1.4513550094564827
Energy: 1.3235847343779588
Energy: 1.4896968221732991
Energy: 1.323579657752642
Energy: 1.4896968221732991
Energy: 1.3235847343779588
Energy: 1.4896968221732991
Energy: 1.247503166791637
Energy: 1.462222349634311
Energy: 1.2838353485876777
Energy: 1.462222349634311
Energy: 1.2475031667909897
Energy: 1.462222349634311
Energy: 1.286045213375391
Energy: 1.4611472348696375
Energy: 1.2818983923157174
Energy: 1.4611472348696375
Energy: 1.286045213375391
Energy: 1.4611472348696375

minimum gb energy = 1.2474310060470546 eV
minimum distance =  2.2474879360225 Angstroms
sigma value = 57


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

Energy: 1.3837385229754993
Energy: 1.416742589393074
Energy: 1.3488008962269071
Energy: 1.416742589393074
Energy: 1.3837385229754993
Energy: 1.416742589393074
Energy: 1.1298356585514304
Energy: 1.4178088725594211
Energy: 1.2314376703178258
Energy: 1.4178088725579479
Energy: 1.1298356585514304
Energy: 1.4178088725579479
Energy: 1.1231309300668753
Energy: 1.3764008791799003
Energy: 1.161604664400694
Energy: 1.3764008791799003
Energy: 1.1231309300668753
Energy: 1.3764008791799003
Energy: 1.159109763503606
Energy: 1.3945077073832437
Energy: 1.158635101705537
Energy: 1.3945077073847172
Energy: 1.159109763503606
Energy: 1.3945077073847172
Energy: 1.1595484654816812
Energy: 1.4173009352412036
Energy: 1.2332920783413086
Energy: 1.4173009352426769
Energy: 1.1595484654816812
Energy: 1.4173009352426769
Energy: 1.1592167874489812
Energy: 1.3763323438252144
Energy: 1.1212486116000966
Energy: 1.376332343823741
Energy: 1.1592167874489812
Energy: 1.376332343823741
Energy: 1.1592301423282083
Energy: 1.3763582158548406
Energy: 1.1213536774340753
Energy: 1.3763582158548406
Energy: 1.1592301423282083
Energy: 1.3763582158563141
Energy: 1.159547101644416
Energy: 1.417284244182621
Energy: 1.158651453231502
Energy: 1.417284244182621
Energy: 1.159547101644416
Energy: 1.417284244182621
Energy: 1.1591147272540998
Energy: 1.3945173243757256
Energy: 1.2303882119720417
Energy: 1.3945173243757256
Energy: 1.1591147272540998
Energy: 1.3945173243757256
Energy: 1.1231352532619137
Energy: 1.3764321765461844
Energy: 1.1614375114718913
Energy: 1.3764321765461844
Energy: 1.1231352532619137
Energy: 1.3764321765461844
Energy: 1.1297808283608108
Energy: 1.4178088725579479
Energy: 1.1594628893932104
Energy: 1.4178088725579479
Energy: 1.1297808283608108
Energy: 1.4178088725579479
Energy: 1.3837385229754993
Energy: 1.416742589393074
Energy: 1.3624689322591192
Energy: 1.416742589393074
Energy: 1.3837385229754993
Energy: 1.416742589393074
Energy: 1.1298356585514304
Energy: 1.4178088725594211
Energy: 1.162740022232117
Energy: 1.4178088725579479
Energy: 1.1298356585514304
Energy: 1.4178088725594211
Energy: 1.1231309300668753
Energy: 1.3764008791799003
Energy: 1.1616046644021674
Energy: 1.3764008791799003
Energy: 1.1231309300668753
Energy: 1.3764008791799003
Energy: 1.159109763503606
Energy: 1.3945077073847172
Energy: 1.158635101705537
Energy: 1.3945077073832437
Energy: 1.159109763503606
Energy: 1.3945077073847172
Energy: 1.1595484654816812
Energy: 1.4173009352426769
Energy: 1.1315059100923293
Energy: 1.4173009352426769
Energy: 1.1595484654816812
Energy: 1.4173009352426769
Energy: 1.1592167874489812
Energy: 1.376332343823741
Energy: 1.1212486116000966
Energy: 1.3763323438252144
Energy: 1.1592167874489812
Energy: 1.3763323438252144
Energy: 1.1592301423282083
Energy: 1.3763582158548406
Energy: 1.1213536774340753
Energy: 1.3763582158548406
Energy: 1.1592301423282083
Energy: 1.3763582158548406
Energy: 1.159547101644416
Energy: 1.417284244182621
Energy: 1.158651453231502
Energy: 1.417284244182621
Energy: 1.159547101644416
Energy: 1.417284244182621

minimum gb energy = 1.1212486116000966 eV
minimum distance =  2.22901650895673 Angstroms
sigma value = 11


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

Energy: 1.2067452174970767
Energy: 1.3606034304353378
Energy: 1.2202833147591003
Energy: 1.3606034304364172
Energy: 1.2067452174970767
Energy: 1.3606034304364172
Energy: 1.0443014675241762
Energy: 1.3054832620191579
Energy: 1.0421719066580255
Energy: 1.3054832620191579
Energy: 1.044301467523097
Energy: 1.3054832620202372
Energy: 1.205492411420816
Energy: 1.282373372240172
Energy: 1.1287534982533984
Energy: 1.282373372240172
Energy: 1.205492411420816
Energy: 1.282373372240172
Energy: 1.0521599294430732
Energy: 1.2787962114432163
Energy: 1.0423379662564143
Energy: 1.2787962114432163
Energy: 1.0521599294430732
Energy: 1.2787962114432163
Energy: 1.0427661798689916
Energy: 1.360658658622753
Energy: 1.1112883463834053
Energy: 1.360658658622753
Energy: 1.0427661798689916
Energy: 1.360658658622753
Energy: 1.0678629793098324
Energy: 1.3373444490972255
Energy: 1.042136068576019
Energy: 1.3373444490972255
Energy: 1.067862979308753
Energy: 1.3373444490972255
Energy: 1.0670544309920211
Energy: 1.2829554189449346
Energy: 1.0422916504858635
Energy: 1.2829554189449346
Energy: 1.0670544309920211
Energy: 1.2829554189449346
Energy: 1.0701711775941491
Energy: 1.3618939730461537
Energy: 1.0533701010677852
Energy: 1.3618939730461537
Energy: 1.0701711775952285
Energy: 1.3618939730461537
Energy: 1.0701502290198242
Energy: 1.3604538181219343
Energy: 1.1295929144384236
Energy: 1.3604538181219343
Energy: 1.0701502290198242
Energy: 1.3604538181230132
Energy: 1.0682500264654156
Energy: 1.2823348584951264
Energy: 1.0421427793726379
Energy: 1.2823348584951264
Energy: 1.0682500264664947
Energy: 1.282334858494047
Energy: 1.0668134145783572
Energy: 1.3359453472580691
Energy: 1.0422008105718659
Energy: 1.3359453472602276
Energy: 1.0668134145772779
Energy: 1.3359453472602276
Energy: 1.0441443538055517
Energy: 1.3619935382052892
Energy: 1.0429741445808198
Energy: 1.3619935382052892
Energy: 1.0441443538055517
Energy: 1.3619935382052892
Energy: 1.0721900987972885
Energy: 1.2801764262574697
Energy: 1.07111089666693
Energy: 1.2801764262574697
Energy: 1.072190098798368
Energy: 1.2801764262574697
Energy: 1.0429167942743265
Energy: 1.2827801777377328
Energy: 1.067187636012117
Energy: 1.2827801777388121
Energy: 1.042916794273247
Energy: 1.2827801777377328
Energy: 1.044394508280611
Energy: 1.306395892076148
Energy: 1.0422075324972424
Energy: 1.306395892076148
Energy: 1.044394508280611
Energy: 1.306395892076148
Energy: 1.0537309161569675
Energy: 1.361999586119481
Energy: 1.0743602628176483
Energy: 1.361999586119481
Energy: 1.0537309161569675
Energy: 1.361999586119481
Energy: 1.051769621125571
Energy: 1.3039342299663752
Energy: 1.070613955962414
Energy: 1.3039342299674543
Energy: 1.0517696211180163
Energy: 1.3039342299674543
Energy: 1.0428240854542679
Energy: 1.282833521539561
Energy: 1.0954329379633925
Energy: 1.2828335215384818
Energy: 1.0428240854521096
Energy: 1.2828335215384818
Energy: 1.0527680926912293
Energy: 1.2787226733172892
Energy: 1.0421516987401251
Energy: 1.2787226733172892
Energy: 1.0527680926912293
Energy: 1.2787226733183683
Energy: 1.044230363597459
Energy: 1.3614162442476052
Energy: 1.067197594136275
Energy: 1.3614162442476052
Energy: 1.0442303635964287
Energy: 1.3614162442476052
Energy: 1.1303208695980411
Energy: 1.3399944074581547
Energy: 1.0420891954176514
Energy: 1.3399944074581547
Energy: 1.1303208695969622
Energy: 1.3399944074581547
Energy: 1.0683727720025233
Energy: 1.283055230053527
Energy: 1.0425094623707134
Energy: 1.283055230053527
Energy: 1.0683727720025233
Energy: 1.283055230053527
Energy: 1.0725187933031253
Energy: 1.3642526738721676
Energy: 1.0534165854474153
Energy: 1.3642526738721676
Energy: 1.0725187933031253
Energy: 1.3642526738721676
Energy: 1.0445026527972088
Energy: 1.3607754003000971
Energy: 1.0435611537736618
Energy: 1.3607754003000971
Energy: 1.0445026527972088
Energy: 1.3607754003000971
Energy: 1.072011028134953
Energy: 1.2832030062893571
Energy: 1.0421080732480879
Energy: 1.2832030062893571
Energy: 1.072011028134953
Energy: 1.2832030062893571
Energy: 1.0682884445771075
Energy: 1.3366839967915758
Energy: 1.0422108740061784
Energy: 1.3366839967926547
Energy: 1.0682884445771075
Energy: 1.3366839967915758

minimum gb energy = 1.0420891954176514 eV
minimum distance =  2.2616230925128 Angstroms
sigma value = 41


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

Energy: 1.3623525448412033
Energy: 1.2982561047961618
Energy: 1.0302989172025585
Energy: 1.2982561047961618
Energy: 1.3623525448412033
Energy: 1.2982561047961618
Energy: 1.190554609907522
Energy: 1.2004196466247434
Energy: 0.9538501403154725
Energy: 1.2004196466247434
Energy: 1.1905546099092232
Energy: 1.2004196466247434
Energy: 1.062900584557908
Energy: 1.244998138028503
Energy: 0.9895439948203671
Energy: 1.244998138028503
Energy: 1.062900584557908
Energy: 1.244998138028503
Energy: 1.196695136082232
Energy: 1.1679553419573105
Energy: 0.9541576080773205
Energy: 1.1679553419573105
Energy: 1.196695136082232
Energy: 1.1679553419573105
Energy: 1.071225929583843
Energy: 1.1615614195577413
Energy: 1.0092751668312816
Energy: 1.1615614195577413
Energy: 1.071225929583843
Energy: 1.161561419558592
Energy: 1.2117585418160564
Energy: 1.2410866041046031
Energy: 0.9536992184263544
Energy: 1.2410866041054536
Energy: 1.2117585418152057
Energy: 1.2410866041054536
Energy: 0.9547070750063309
Energy: 1.2445528070972365
Energy: 0.9542999101686723
Energy: 1.2445528070980871
Energy: 0.9547070750063309
Energy: 1.2445528070980871
Energy: 1.261366439779738
Energy: 1.2582153036785113
Energy: 0.9566932925355465
Energy: 1.2582153036785113
Energy: 1.261366439779738
Energy: 1.2582153036776607
Energy: 0.9863272119136015
Energy: 1.1621843922518693
Energy: 1.1379894624447775
Energy: 1.16218439225272
Energy: 0.9863272119136015
Energy: 1.16218439225272
Energy: 1.2202889173573255
Energy: 1.2462720714164774
Energy: 1.2043914901666721
Energy: 1.2462720714164774
Energy: 1.2202889173573255
Energy: 1.2462720714164774
Energy: 1.2194289641416625
Energy: 1.244497617649029
Energy: 1.2324295288841893
Energy: 1.2444976176498797
Energy: 1.219428964142513
Energy: 1.244497617649029
Energy: 0.9890888984829433
Energy: 1.2711132359975075
Energy: 0.9567112873424012
Energy: 1.2578686827556167
Energy: 0.9890888984829433
Energy: 1.2784233419509319
Energy: 0.9862132337543315
Energy: 1.2248005611305097
Energy: 1.189354894930691
Energy: 1.2248005611305097
Energy: 0.9862132337543315
Energy: 1.2248005611305097
Energy: 0.9572344086555172
Energy: 1.2462157531135742
Energy: 0.9537731892310222
Energy: 1.2462157531127236
Energy: 0.9572344086555172
Energy: 1.2462157531127236
Energy: 1.2082953768596774
Energy: 1.2456419796147216
Energy: 0.9538802289555178
Energy: 1.2456419796147216
Energy: 1.2082953768596774
Energy: 1.2456419796147216
Energy: 0.9543246868632238
Energy: 1.2576969459405578
Energy: 0.9541876711787061
Energy: 1.2576969459414085
Energy: 0.9543246868632238
Energy: 1.2783353691181478
Energy: 1.1918685500761839
Energy: 1.260901820365924
Energy: 0.9861388359706618
Energy: 1.260901820365924
Energy: 1.1918685500770345
Energy: 1.260901820365924
Energy: 0.9567213338301008
Energy: 1.2463446979825417
Energy: 0.9862978477604517
Energy: 1.2463446979816908
Energy: 0.9567213338301008
Energy: 1.2463446979816908
Energy: 1.190160523507294
Energy: 1.1934400560028755
Energy: 0.9540874196645233
Energy: 1.1934400560028755
Energy: 1.190160523505593
Energy: 1.1934400560028755
Energy: 1.2045967859092173
Energy: 1.257214146952414
Energy: 1.1076045613072232
Energy: 1.257214146952414
Energy: 1.2045967859083666
Energy: 1.2782726327903156
Energy: 1.2238227301900317
Energy: 1.1971028370673351
Energy: 0.9862152434074876
Energy: 1.1971028370673351
Energy: 1.2238227301900317
Energy: 1.1971028370673351
Energy: 0.9568906710115961
Energy: 1.2462142631067703
Energy: 1.0291485732406085
Energy: 1.2462142631067703
Energy: 0.9568906710107453
Energy: 1.2462142631067703
Energy: 1.2088774852873327
Energy: 1.1650521334054824
Energy: 0.9540733589109727
Energy: 1.1650521334054824
Energy: 1.2088774852873327
Energy: 1.1650521334054824
Energy: 0.9541086298391507
Energy: 1.225180593684738
Energy: 0.9901625239058531
Energy: 1.225180593684738
Energy: 0.9541086298391507
Energy: 1.2005722349283054
Energy: 1.0979056511722112
Energy: 1.2248845912066486
Energy: 0.9536085797241624
Energy: 1.224884591207499
Energy: 1.0979056511722112
Energy: 1.224884591207499
Energy: 0.957028241413111
Energy: 1.163083358508356
Energy: 0.9549471119993099
Energy: 1.1871745421507949
Energy: 0.957028241413111
Energy: 1.163083358508356
Energy: 1.0569052096661857
Energy: 1.2448367450780766
Energy: 0.956414825859125
Energy: 1.2448367450780766
Energy: 1.0569052096661857
Energy: 1.2448367450780766
Energy: 0.9891688549522001
Energy: 1.2250162440307495
Energy: 1.1894393675746453
Energy: 1.2250162440307495
Energy: 0.9891688549522001
Energy: 1.2005907192165015
Energy: 1.2184002842368582
Energy: 1.244798556641955
Energy: 1.2043275286853494
Energy: 1.244798556641955
Energy: 1.2184002842368582
Energy: 1.244798556641955
Energy: 0.9543155427545909
Energy: 1.1662719817233167
Energy: 1.2599597056856893
Energy: 1.1662719817233167
Energy: 0.9543155427545909
Energy: 1.1662719817241676
Energy: 0.9859945572948047
Energy: 1.24478425889493
Energy: 0.9565293597551617
Energy: 1.2447842588957807
Energy: 0.9859945572948047
Energy: 1.2447842588957807
Energy: 0.9895106474233643
Energy: 1.2442499516563832
Energy: 1.1894880318139984
Energy: 1.2442499516563832
Energy: 0.9895106474225137
Energy: 1.244249951657234
Energy: 0.9540316424015135
Energy: 1.2444305035964416
Energy: 0.9536136071428063
Energy: 1.2444305035964416
Energy: 0.9540316424015135
Energy: 1.2444305035955907

minimum gb energy = 0.9536085797241624 eV
minimum distance =  2.2506623729226 Angstroms
sigma value = 33


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

Energy: 1.1853567293662979
Energy: 1.1144616356859673
Energy: 1.0198610692501642
Energy: 1.1144616356853705
Energy: 1.185356729367492
Energy: 1.1144616356853705
Energy: 1.6246038167393437
Energy: 0.8947423751482096
Energy: 0.8478617020890858
Energy: 0.8947423751482096
Energy: 1.6246038167393437
Energy: 0.8947423751482096
Energy: 1.1255397575850397
Energy: 1.1243326088285432
Energy: 0.9436215390368836
Energy: 1.1243326088291403
Energy: 1.1255397575850397
Energy: 1.1243326088291403
Energy: 1.477880975187157
Energy: 0.8644659188937139
Energy: 0.8476411128279107
Energy: 0.864465918894311
Energy: 1.477880975188351
Energy: 0.864465918893117
Energy: 0.9235557360503811
Energy: 1.111936388962915
Energy: 0.9270812477164839
Energy: 1.111936388962915
Energy: 0.9235557360503811
Energy: 1.111936388962915
Energy: 1.3333880110811045
Energy: 1.0772324139693512
Energy: 0.847541185645386
Energy: 1.0772324139699483
Energy: 1.3333880110811045
Energy: 1.0772324139693512
Energy: 0.9160137563457569
Energy: 1.075794188531055
Energy: 0.8527966439484321
Energy: 1.0757941885304578
Energy: 0.9160137563457569
Energy: 1.0757941885304578
Energy: 1.1819716280866273
Energy: 1.0795401788761771
Energy: 0.8444996061139016
Energy: 1.0795401788767738
Energy: 1.1819716280866273
Energy: 1.0795401788761771
Energy: 0.8460345796250087
Energy: 1.1062360349604605
Energy: 0.9776899568363256
Energy: 1.1062360349610576
Energy: 0.8460345796250087
Energy: 1.1062360349610576
Energy: 1.0312139807001268
Energy: 1.0977984664051053
Energy: 1.0200260666052852
Energy: 1.0977984664051053
Energy: 1.0312139807001268
Energy: 1.0977984664057023
Energy: 0.8481257765981965
Energy: 1.0760159903368829
Energy: 1.0295453538420034
Energy: 1.0760159903362858
Energy: 0.8481257765981965
Energy: 1.0760159903362858
Energy: 1.3442965341388509
Energy: 1.1142395573439388
Energy: 1.053179408493136
Energy: 1.1142395573439388
Energy: 1.3442965341388509
Energy: 1.1142395573439388
Energy: 1.0225724215624095
Energy: 1.1060437574746933
Energy: 1.2604253136221606
Energy: 1.1060437574752902
Energy: 1.0225724215630068
Energy: 1.1060437574752902
Energy: 1.0402389858710357
Energy: 1.1134733571554856
Energy: 1.338883890555044
Energy: 1.1134733571554856
Energy: 1.0402389858710357
Energy: 1.1134733571554856
Energy: 1.0364827432920098
Energy: 1.0759248683586793
Energy: 1.3387196275273707
Energy: 1.0759248683586793
Energy: 1.0364827432920098
Energy: 1.0759248683580824
Energy: 1.0255237767065966
Energy: 1.1148281566900307
Energy: 1.0579749597589558
Energy: 1.1148281566900307
Energy: 1.0255237767065966
Energy: 1.1148281566900307
Energy: 1.0223837570795433
Energy: 1.1005267069868871
Energy: 1.1836233247067083
Energy: 1.100526706985693
Energy: 1.0223837570795433
Energy: 1.1005267069862903
Energy: 0.8523669949339899
Energy: 1.1130890426037912
Energy: 1.019929415443524
Energy: 1.1130890426037912
Energy: 0.8523669949339899
Energy: 1.1130890426031943
Energy: 1.0365526711028983
Energy: 1.0987427020107083
Energy: 1.0302967275072206
Energy: 1.0987427020113056
Energy: 1.0365526711017043
Energy: 1.0987427020107083
Energy: 0.8507924271649013
Energy: 1.1149174195244214
Energy: 0.8445428405158655
Energy: 1.1149174195244214
Energy: 0.8507924271649013
Energy: 1.1149174195244214
Energy: 1.0229350725248438
Energy: 1.0946755800171555
Energy: 0.9406301026007593
Energy: 1.0946755800171555
Energy: 1.0229350725248438
Energy: 1.0946755800171555
Energy: 0.8449249813504471
Energy: 1.1130830787729373
Energy: 0.8480533316528684
Energy: 1.1130830787729373
Energy: 0.8449249813486561
Energy: 1.1130830787729373
Energy: 1.338810485598079
Energy: 1.104152478217941
Energy: 0.8528977020738657
Energy: 1.104152478217941
Energy: 1.338810485598079
Energy: 1.104152478217941
Energy: 0.854578093905413
Energy: 1.1149749268593028
Energy: 0.847779868195889
Energy: 1.1149749268598996
Energy: 0.854578093904219
Energy: 1.1149749268593028
Energy: 1.3305990783667003
Energy: 1.0954320553120336
Energy: 0.9821281740069149
Energy: 1.0954320553120336
Energy: 1.3305990783649095
Energy: 1.0954320553114365
Energy: 1.0343253553559175
Energy: 1.1129887087813948
Energy: 0.8639175230056854
Energy: 1.1129887087819919
Energy: 1.0343253553553207
Energy: 1.1129887087813948
Energy: 1.6231219679733626
Energy: 0.8677763692222216
Energy: 0.8526370925366001
Energy: 0.8677763692222216
Energy: 1.6231219679733626
Energy: 0.8677763692210277
Energy: 1.0977332957975268
Energy: 1.1145369436695316
Energy: 1.0359753312310547
Energy: 1.1145369436689347
Energy: 1.0977332957975268
Energy: 1.114536943668392
Energy: 1.3357212838618366
Energy: 1.0855844422677592
Energy: 0.933374547576904
Energy: 1.0855844422677592
Energy: 1.3357212838624335
Energy: 1.0855844422677592
Energy: 1.034024306916782
Energy: 1.1126883767709235
Energy: 1.0619018281019208
Energy: 1.1126883767709235
Energy: 1.034024306916782
Energy: 1.1126883767709235
Energy: 1.3338193911818494
Energy: 0.8674080220089043
Energy: 0.8521697163639326
Energy: 0.8674080220089043
Energy: 1.3338193911812528
Energy: 0.8674080220089043
Energy: 0.854262118224
Energy: 1.0961407236243141
Energy: 0.950824535487366
Energy: 1.0961407236237168
Energy: 0.854262118224
Energy: 1.0961407236243141
Energy: 1.1801060192226283
Energy: 1.0735506871872142
Energy: 0.8505977082311202
Energy: 1.0735506871872142
Energy: 1.1801060192220314
Energy: 1.0735506871872142
Energy: 0.8447064076589815
Energy: 1.0779489348192655
Energy: 1.19334873298256
Energy: 1.077948934819862
Energy: 0.8447064076589815
Energy: 1.077948934819862
Energy: 1.1942875325346902
Energy: 1.0779552305511535
Energy: 0.8445502240838022
Energy: 1.0779552305523474
Energy: 1.1942875325346902
Energy: 1.0779552305529443
Energy: 0.8505766331203103
Energy: 1.0737520723150673
Energy: 1.1793915748761574
Energy: 1.0737520723156644
Energy: 0.8505766331203103
Energy: 1.0737520723156644
Energy: 0.9507298235870401
Energy: 1.096148882575025
Energy: 0.8542957933508699
Energy: 1.0961488825756216
Energy: 0.9507298235870401
Energy: 1.0961488825756216
Energy: 0.8521529368408032
Energy: 0.8669258213132481
Energy: 1.3343472057336556
Energy: 0.8669258213132481
Energy: 0.8521529368408032
Energy: 0.8669258213126511
Energy: 1.0619018281013235
Energy: 1.11267444620745
Energy: 1.03390220964586
Energy: 1.112674446208644
Energy: 1.0619018281019208
Energy: 1.1126744462080473
Energy: 1.0254485511392895
Energy: 1.0854767909094132
Energy: 1.3361394675266727
Energy: 1.085476790908816
Energy: 1.0254485511398865
Energy: 1.085476790908816
Energy: 1.036027101012572
Energy: 1.1145181366815817
Energy: 1.0974986514569396
Energy: 1.1145181366827757
Energy: 1.0360271010119753
Energy: 1.1145181366827757
Energy: 0.8526888312394431
Energy: 0.8645463088639637
Energy: 1.622921981844517
Energy: 0.8645463088639637
Energy: 0.8526888312394431
Energy: 0.8645463088627695
Energy: 0.864073388674235
Energy: 1.1129628661015478
Energy: 1.0346056619727402
Energy: 1.1129628661015478
Energy: 0.864073388674235
Energy: 1.1129628661015478
Energy: 1.0266683453064867
Energy: 1.0954798770173655
Energy: 1.3355269679063608
Energy: 1.0954798770167684
Energy: 1.0266683453070837
Energy: 1.0954798770167684
Energy: 0.8479662928002165
Energy: 1.1149602709151134
Energy: 0.8546028526691665
Energy: 1.1149602709145163
Energy: 0.8479662928002165
Energy: 1.1149602709145163
Energy: 0.8528885981399118
Energy: 1.1041524782167471
Energy: 1.3387747805030945
Energy: 1.1041524782167471
Energy: 0.8528885981399118
Energy: 1.1041524782167471
Energy: 0.8477219843587892
Energy: 1.1130923216368112
Energy: 0.8449320042407831
Energy: 1.1130923216374078
Energy: 0.8477219843587892
Energy: 1.1130923216374078

minimum gb energy = 0.8444996061139016 eV
minimum distance =  2.28367785905188 Angstroms
sigma value = 67


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

Energy: 0.25737681456446815
Energy: 0.25805726004265833
Energy: 0.8810294327551769
Energy: 0.2580572600434291
Energy: 0.25737681456446815
Energy: 0.2580572600434291
Energy: 0.2638225542862892
Energy: 0.8032988008552182
Energy: 0.6270464025540514
Energy: 0.8032988008556263
Energy: 0.2638225542866972
Energy: 0.8032988008556263
Energy: 0.25737681456446815
Energy: 0.2580572600434291
Energy: 1.3973747467379674
Energy: 0.25805726004265833
Energy: 0.25737681456446815
Energy: 0.2580572600430211
Energy: 0.2638225542866972
Energy: 0.8032988008556263
Energy: 0.6270464024579314
Energy: 0.8032988008556263
Energy: 0.2638225542862892
Energy: 0.8032988008556263
Energy: 0.25737681456446815
Energy: 0.2580572600438372
Energy: 1.4592253205737467
Energy: 0.2580572600430211
Energy: 0.25737681456446815
Energy: 0.2580572600434291
Energy: 0.2638225542866972
Energy: 0.8032988008552182
Energy: 0.6270464025999123
Energy: 0.8032988008552182
Energy: 0.2638225542866972
Energy: 0.8032988008552182
Energy: 0.25737681456446815
Energy: 0.2580572600430211
Energy: 1.459225320570165
Energy: 0.25805726004265833
Energy: 0.25737681456446815
Energy: 0.2580572600434291

minimum gb energy = 0.25737681456446815 eV
minimum distance =  2.43368886086924 Angstroms
sigma value = 3


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

Energy: 1.3857585021646381
Energy: 1.087667827731662
Energy: 0.9771574450908502
Energy: 1.0876678277322054
Energy: 1.3857585021667604
Energy: 1.0876678277322054
Energy: 1.5738211129937405
Energy: 0.8547573386748192
Energy: 0.8386136192118138
Energy: 0.8547573386742762
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Energy: 1.0832347285759858
Energy: 1.0592568296467992
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Energy: 0.8322554148914547
Energy: 0.8347915168039592
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Energy: 0.8347915168045021
Energy: 0.8322554148914547
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Energy: 1.0942294329230255
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Energy: 1.0942294329224826
Energy: 1.0593013231152142
Energy: 1.0942294329230255
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Energy: 0.9303939540556682
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Energy: 0.8361529546680962
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Energy: 0.846454359689951
Energy: 1.098643446374767
Energy: 1.3347786324557949
Energy: 1.1017244289027441
Energy: 0.846454359689951
Energy: 1.0931753660452073
Energy: 0.8322515433451715
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Energy: 1.3098656676875493
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Energy: 0.8362263918498449
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Energy: 1.2295740284194547
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Energy: 1.042806313483378
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Energy: 0.9861253326712632
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Energy: 1.0644823170817332
Energy: 1.0943022777889466
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Energy: 1.3032387908472187
Energy: 1.0916160377274093
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Energy: 1.309830704776154
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Energy: 0.8384692843711574
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Energy: 1.3173316147239604
Energy: 1.0896521790412834
Energy: 0.9938367376662225
Energy: 1.0896521790401976
Energy: 1.3173316147234175
Energy: 1.0896521790401976
Energy: 1.3345333573296683
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Energy: 0.842890898768121
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Energy: 1.3345333573296683
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Energy: 1.4504269514441461
Energy: 1.0900017649259246
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Energy: 1.0900017649259246
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Energy: 1.0953145231656995
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Energy: 0.8351735907015693
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Energy: 1.3178777482274702
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Energy: 1.0640964089727425
Energy: 1.087235170896735
Energy: 0.8422394185539668
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Energy: 1.0640964089727425
Energy: 1.087235170896735
Energy: 1.3032010376600205
Energy: 1.0941721292042421
Energy: 0.8419144013866764
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Energy: 1.3032010376594771
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Energy: 1.046103948155693
Energy: 1.062237132943784
Energy: 1.035608102789131
Energy: 1.062237132943784
Energy: 1.0461039481562364
Energy: 1.062237132943784
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Energy: 1.0689220964189936
Energy: 0.856479964923525
Energy: 1.0689220964195367
Energy: 1.0432571772012595
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Energy: 0.8418578205802109
Energy: 1.0677826291314416
Energy: 1.030920634457771
Energy: 1.0677826291319847
Energy: 0.8418578205802109
Energy: 1.0677826291319847
Energy: 1.0362634518019742
Energy: 1.0963671781599262
Energy: 1.0417622731015959
Energy: 1.0963671781593833
Energy: 1.0362634518008884
Energy: 1.0963671781593833
Energy: 0.8328303580356679
Energy: 0.850350521714968
Energy: 1.2930680947989641
Energy: 0.850350521714968
Energy: 0.8328303580356679
Energy: 0.850350521714425
Energy: 0.8326409148411561
Energy: 1.0688910215604748
Energy: 1.0594652565050782
Energy: 1.0688910215615604
Energy: 0.832640914840613
Energy: 1.0688910215610177
Energy: 0.8468627538191933
Energy: 1.029693268537296
Energy: 1.296390071324067
Energy: 1.0296932685367526
Energy: 0.8468627538191933
Energy: 1.0296932685367526
Energy: 0.8360136313092036
Energy: 1.0963023637264426
Energy: 1.310174415132571
Energy: 1.0963023637269858
Energy: 0.8360136313092036
Energy: 1.0963023637269858
Energy: 0.8329405717307277
Energy: 0.8528105511517116
Energy: 1.44028537279065
Energy: 0.8528105511511687
Energy: 0.8329405717307277
Energy: 0.8528105511517116
Energy: 0.8471317506037614
Energy: 1.1133179049734672
Energy: 1.3359004917109192
Energy: 1.113317904972924
Energy: 0.8471317506037614
Energy: 1.1133179049734672
Energy: 0.8469333546949261
Energy: 0.8506040944105276
Energy: 1.452239345370555
Energy: 0.8506040944099846
Energy: 0.8469333546949261
Energy: 0.8506040944110705
Energy: 0.8616452517920618
Energy: 1.0962528847947206
Energy: 1.3103486223404073
Energy: 1.0962528847947206
Energy: 0.8616452517920618
Energy: 1.0962528847947206
Energy: 0.833083893721357
Energy: 0.8475943074984997
Energy: 1.4398168513802823
Energy: 0.8475943074979568
Energy: 0.8330838937219
Energy: 0.8475943074984997
Energy: 0.8469054090124292
Energy: 1.068811160791401
Energy: 1.0607148145270089
Energy: 1.0688111607908581
Energy: 0.8469054090124292
Energy: 1.0688111607908581
Energy: 0.8508734832013047
Energy: 0.839318899708628
Energy: 1.1767002961828272
Energy: 0.8393188997097141
Energy: 0.8508734832007618
Energy: 0.8393188997097141
Energy: 1.044057193837663
Energy: 1.0631512784570198
Energy: 1.040252168386097
Energy: 1.0631512784570198
Energy: 1.044057193837663
Energy: 1.0631512784570198

minimum gb energy = 0.832182210765821 eV
minimum distance =  2.27596103259166 Angstroms
sigma value = 81


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

Energy: 1.354760239259218
Energy: 0.9610245829814271
Energy: 1.0957114286990903
Energy: 0.9610245829829175
Energy: 1.3547602392599634
Energy: 0.9610245829821724
Energy: 1.2262048892166555
Energy: 0.9646311151637745
Energy: 0.9275295280960519
Energy: 0.9646311151637745
Energy: 1.2262048892159103
Energy: 0.9646311151637745
Energy: 1.3643805475759494
Energy: 0.9363779562919929
Energy: 1.0735123590255198
Energy: 0.9363779562912479
Energy: 1.3643805475759494
Energy: 0.9363779562927381
Energy: 1.2130945642656439
Energy: 0.9294331244360354
Energy: 0.9273003551332125
Energy: 0.9294331244367807
Energy: 1.2130945642656439
Energy: 0.9294331244367807
Energy: 0.9682309131070941
Energy: 0.9229651430410223
Energy: 1.0148832564447168
Energy: 0.9229651430410223
Energy: 0.9682309131070941
Energy: 0.9229651430410223
Energy: 1.0769003055849307
Energy: 0.9324596984485432
Energy: 0.9275594204104575
Energy: 0.9324596984485432
Energy: 1.0769003055856758
Energy: 0.9324596984485432
Energy: 0.9441827102393784
Energy: 0.9275182419798637
Energy: 1.080764331550132
Energy: 0.9275182419798637
Energy: 0.9441827102393784
Energy: 0.9275182419798637
Energy: 0.9418645238481504
Energy: 0.9282764877785004
Energy: 0.9537754361681303
Energy: 0.9282764877777553
Energy: 0.9418645238481504
Energy: 0.9282764877777553
Energy: 0.9225635866556585
Energy: 0.9239652837743383
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Energy: 0.9239652837743383
Energy: 0.9225635866556585
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Energy: 1.222263536011748
Energy: 0.9765075431101939
Energy: 1.2222635360124934
Energy: 0.9263012892823459
Energy: 0.9277307791442887
Energy: 1.235812017349867
Energy: 0.9277307791450339
Energy: 0.9263012892823459
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Energy: 0.9413919645881016
Energy: 1.2424872116016616
Energy: 1.2834326185179792
Energy: 1.2424872116016616
Energy: 0.9413919645888467
Energy: 1.2424872116016616
Energy: 0.922485734272298
Energy: 1.207677307987799
Energy: 1.3184824766632193
Energy: 1.207677307987799
Energy: 0.922485734272298
Energy: 1.207677307987799
Energy: 0.9262082428054808
Energy: 1.2223204085264792
Energy: 1.2342766107464178
Energy: 1.222320408525734
Energy: 0.9262082428054808
Energy: 1.222320408525734
Energy: 0.9262840839939157
Energy: 0.978606572715467
Energy: 1.212490756964522
Energy: 0.978606572715467
Energy: 0.9262840839939157
Energy: 0.978606572715467
Energy: 0.9230281655415908
Energy: 1.2429037673910244
Energy: 0.9538149456361655
Energy: 1.2429037673910244
Energy: 0.9230281655408455
Energy: 1.2429037673910244
Energy: 0.9225429629047619
Energy: 0.9393917968119759
Energy: 1.2197279451648013
Energy: 0.9393917968119759
Energy: 0.9225429629047619
Energy: 0.9393917968119759
Energy: 1.212514818704531
Energy: 1.2226246002251127
Energy: 0.9276705011831843
Energy: 1.2226246002243673
Energy: 1.212514818704531
Energy: 1.2226246002251127
Energy: 1.2126647784254354
Energy: 1.2326693101778772
Energy: 0.9317816517730565
Energy: 1.232669310177132
Energy: 1.2126647784254354
Energy: 1.2326693101778772
Energy: 1.234888180646442
Energy: 1.2433614165878477
Energy: 0.9273304973481249
Energy: 1.2433614165878477
Energy: 1.2348881806471872
Energy: 1.2433614165878477
Energy: 1.2347799335033967
Energy: 1.2235230239855797
Energy: 1.2463847834016701
Energy: 1.2235230239848345
Energy: 1.234779933504142
Energy: 1.2235230239855797
Energy: 1.2346106958610956
Energy: 1.2228687525900386
Energy: 0.931833106201144
Energy: 1.2228687525900386
Energy: 1.2346106958610956
Energy: 1.222868752590784
Energy: 1.2347267527136467
Energy: 1.2230295292278879
Energy: 0.9318192602774659
Energy: 1.2230295292278879
Energy: 1.2347267527136467
Energy: 1.2230295292278879
Energy: 1.2348096407221718
Energy: 1.2235156126664868
Energy: 1.094377061228388
Energy: 1.2235156126664868
Energy: 1.2348096407221718
Energy: 1.2235156126664868
Energy: 1.234967106661167
Energy: 1.2433230669851205
Energy: 0.9273559820283958
Energy: 1.2433230669858661
Energy: 1.2349671066604218
Energy: 1.2433230669858661
Energy: 1.212815549818514
Energy: 1.2326631112803617
Energy: 0.9317957258747023
Energy: 1.2326631112796167
Energy: 1.2128155498192592
Energy: 1.2326631112796167
Energy: 1.2125468908844261
Energy: 1.2224969852157455
Energy: 0.9276833318797719
Energy: 1.2224969852150005
Energy: 1.2125468908836812
Energy: 1.2224969852157455
Energy: 0.9225367797984206
Energy: 0.9393797271716517
Energy: 1.068958167384695
Energy: 0.9393797271716517
Energy: 0.9225367797984206
Energy: 0.9393797271716517
Energy: 0.9230347859926269
Energy: 1.242872962285792
Energy: 0.9539039186677376
Energy: 1.2428729622865373
Energy: 0.9230347859918818
Energy: 1.2428729622865373
Energy: 0.9262767969416454
Energy: 0.9786065727147218
Energy: 1.2125363895950128
Energy: 0.9786065727147218
Energy: 0.9262767969416454
Energy: 0.9786065727147218
Energy: 0.9262004364515991
Energy: 1.222321192736942
Energy: 1.2342375174830116
Energy: 1.222321192736942
Energy: 0.9262004364515991
Energy: 1.222321192736942
Energy: 0.9224748007010275
Energy: 1.2076605483344187
Energy: 1.0880490221904981
Energy: 1.2076605483359093
Energy: 0.9224748007002822
Energy: 1.2076605483359093
Energy: 0.941450872582659
Energy: 1.2424936869400267
Energy: 1.2835900137303866
Energy: 1.2424936869407717
Energy: 0.941450872582659
Energy: 1.2424936869407717
Energy: 0.9263072870561855
Energy: 0.9277722334552755
Energy: 1.2351788455959667
Energy: 0.9277722334545303
Energy: 0.9263072870561855
Energy: 0.9277722334545303
Energy: 0.9765075431101939
Energy: 1.2222595157007943
Energy: 1.234221358069983
Energy: 1.2222595157007943
Energy: 0.9765075431101939
Energy: 1.2222595157007943
Energy: 0.9225518977993399
Energy: 0.9238601527918827
Energy: 1.0776214263817212
Energy: 0.9238601527918827
Energy: 0.9225518977993399
Energy: 0.9238601527911375
Energy: 0.9416539698530625
Energy: 0.928277030027214
Energy: 0.9538294622384595
Energy: 0.9282770300279591
Energy: 0.9416539698530625
Energy: 0.9282770300287044
Energy: 0.9441909851232825
Energy: 0.927592147884943
Energy: 1.0809424040275888
Energy: 0.927592147884943
Energy: 0.9441909851240277
Energy: 0.927592147884943

minimum gb energy = 0.9224748007002822 eV
minimum distance =  2.29637299915687 Angstroms
sigma value = 43


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

Energy: 1.6193661869545086
Energy: 1.3501007001430732
Energy: 1.3382573544276009
Energy: 1.3501007001430732
Energy: 1.6193661869545086
Energy: 1.3501007001430732
Energy: 1.2884133951902965
Energy: 1.029937788256082
Energy: 0.9878671980657981
Energy: 1.029937788256082
Energy: 1.2884133951902965
Energy: 1.029937788256082
Energy: 1.1952928024562348
Energy: 1.0003406761316478
Energy: 1.2395281632186603
Energy: 1.0003406761316478
Energy: 1.1952928024562348
Energy: 1.000340676132563
Energy: 1.2697963832915051
Energy: 0.9906327026460338
Energy: 1.0027031065037542
Energy: 0.9906327026460338
Energy: 1.2697963832915051
Energy: 0.9906327026460338
Energy: 1.1410712248362638
Energy: 0.9896204490448942
Energy: 1.0186622909956669
Energy: 0.9896204490448942
Energy: 1.1410712248362638
Energy: 0.9896204490458095
Energy: 1.0842645487637168
Energy: 0.9917443421144875
Energy: 1.092572815019343
Energy: 0.9917443421154029
Energy: 1.0842645487646323
Energy: 0.9917443421144875
Energy: 1.0014292111928356
Energy: 0.984914433823177
Energy: 1.092147204209901
Energy: 0.9849144338240923
Energy: 1.0014292111928356
Energy: 0.984914433823177
Energy: 1.128602743586031
Energy: 1.0043226267500556
Energy: 1.1602508571894792
Energy: 1.00432262674914
Energy: 1.128602743586031
Energy: 1.00432262674914
Energy: 0.9910077397471662
Energy: 0.9877927362420862
Energy: 1.2849215839764667
Energy: 0.9877927362411708
Energy: 0.9910077397471662
Energy: 0.9877927362411708
Energy: 0.9993778833580863
Energy: 1.331203622107606
Energy: 1.4033168555749482
Energy: 1.331203622107606
Energy: 0.9993778833580863
Energy: 1.331203622107606
Energy: 0.9848244321900642
Energy: 0.9962937556592166
Energy: 1.1063123244589608
Energy: 0.9962937556637933
Energy: 0.9848244321900642
Energy: 0.9962937556637933
Energy: 1.0840207361402026
Energy: 1.0042137931227368
Energy: 1.1603915535584992
Energy: 1.0042137931236523
Energy: 1.0840207361402026
Energy: 1.0042137931236523
Energy: 1.084484928920842
Energy: 0.9901286481332494
Energy: 1.39420873920322
Energy: 0.9901286481332494
Energy: 1.084484928920842
Energy: 0.9901286481332494
Energy: 1.0929827255632223
Energy: 1.330007088856409
Energy: 1.0928213101691868
Energy: 1.3300070888554938
Energy: 1.0929827255641376
Energy: 1.3300070888554938
Energy: 1.099152262119906
Energy: 0.9930596328934587
Energy: 1.0875725248066317
Energy: 0.9930596328934587
Energy: 1.099152262119906
Energy: 0.9930596328925434
Energy: 1.2880616878797
Energy: 0.9882398799107532
Energy: 1.002677009368423
Energy: 0.9882398799125838
Energy: 1.2880616878806155
Energy: 0.9882398799125838
Energy: 1.2880139523980267
Energy: 1.0049173641008187
Energy: 1.1716600333726748
Energy: 1.0049173640999034
Energy: 1.2880139523980267
Energy: 1.0049173640999034
Energy: 1.3472273543860789
Energy: 1.005509014904237
Energy: 0.9924843150588533
Energy: 1.0055090149033215
Energy: 1.3472273543860789
Energy: 1.0055090149033215
Energy: 1.3469749020037143
Energy: 1.3345305451633571
Energy: 0.9923935136773052
Energy: 1.3345305451642726
Energy: 1.3469749020037143
Energy: 1.3345305451642726
Energy: 1.2881477346645898
Energy: 0.9977144553947541
Energy: 0.9877082075434894
Energy: 0.9977144553938387
Energy: 1.2881477346636745
Energy: 0.9977144553947541
Energy: 1.2880423855219088
Energy: 1.3725580984325678
Energy: 1.0047356124796034
Energy: 1.3725580984334829
Energy: 1.2880423855209935
Energy: 1.3725580984334829
Energy: 1.0929191660042314
Energy: 0.9934194313119713
Energy: 1.0853031659850998
Energy: 0.9934194313119713
Energy: 1.0929191660042314
Energy: 0.9934194313119713
Energy: 1.0990885168245188
Energy: 1.3294356846320607
Energy: 1.1012987406968018
Energy: 1.329435684632976
Energy: 1.0990885168245188
Energy: 1.329435684632976
Energy: 1.0836912086574493
Energy: 1.345216959957591
Energy: 1.0938841835721345
Energy: 1.345216959957591
Energy: 1.0836912086574493
Energy: 1.345216959957591
Energy: 1.0849270329920782
Energy: 1.3721340210434068
Energy: 1.1607830649776847
Energy: 1.3721340210434068
Energy: 1.0849270329920782
Energy: 1.3721340210434068
Energy: 0.9853753197556562
Energy: 0.9945345171195994
Energy: 1.2881023470592154
Energy: 0.994534517118684
Energy: 0.9853753197556562
Energy: 0.994534517118684
Energy: 0.9965121132360623
Energy: 1.3293285045157484
Energy: 1.403720702548285
Energy: 1.3293285045148329
Energy: 0.9965121132360623
Energy: 1.3293285045148329
Energy: 0.9914686775061567
Energy: 1.3133825610471601
Energy: 1.2325477078538858
Energy: 1.3133825610471601
Energy: 0.9914686775061567
Energy: 1.3133825610471601
Energy: 1.1258075350177943
Energy: 1.003476623333698
Energy: 1.160721681956918
Energy: 1.0034766233346133
Energy: 1.1258075350177943
Energy: 1.0034766233346133
Energy: 1.0019457251246162
Energy: 0.9855514746089655
Energy: 1.2884264347046626
Energy: 0.9855514746080503
Energy: 1.0019457251246162
Energy: 0.9855514746080503
Energy: 1.0839439342321193
Energy: 0.9911351356851805
Energy: 1.1012296785286098
Energy: 0.9911351356860958
Energy: 1.0839439342321193
Energy: 0.9911351356851805

minimum gb energy = 0.9848244321900642 eV
minimum distance =  2.28773913485955 Angstroms
sigma value = 57


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

Energy: 1.1583939222219743
Energy: 1.4492661482763667
Energy: 1.3111476805804714
Energy: 1.4492661482763667
Energy: 1.158393922220789
Energy: 1.4492661482763667
Energy: 1.0793058673326077
Energy: 1.1502680789552837
Energy: 1.0721858204867534
Energy: 1.1502680789552837
Energy: 1.0793058673326077
Energy: 1.1502680789552837
Energy: 1.0804963076389336
Energy: 1.45368404888758
Energy: 1.2401981325865494
Energy: 1.45368404888758
Energy: 1.0804963076389336
Energy: 1.45368404888758
Energy: 1.0770351691037525
Energy: 1.0661837905069
Energy: 1.0715919636433242
Energy: 1.0661837905069
Energy: 1.0770351691049378
Energy: 1.0661837905069
Energy: 1.0676134579595014
Energy: 1.087786819965093
Energy: 1.079698502439839
Energy: 1.0877868199639076
Energy: 1.0676134579595014
Energy: 1.087786819965093
Energy: 1.0772384201109573
Energy: 1.0650148498425471
Energy: 1.0754877610815314
Energy: 1.0650148498437322
Energy: 1.0772384201109573
Energy: 1.0650148498437322
Energy: 1.065824658541916
Energy: 1.0660537321063863
Energy: 1.0809327259800345
Energy: 1.0660537321063863
Energy: 1.0658246585407307
Energy: 1.0660537321075718
Energy: 1.0761980523317587
Energy: 1.0709829535257047
Energy: 1.1554804399486274
Energy: 1.0709829535257047
Energy: 1.0761980523317587
Energy: 1.0709829535257047
Energy: 1.0680220261742628
Energy: 1.1490996738073758
Energy: 1.2191645150418766
Energy: 1.1490996738073758
Energy: 1.0680220261742628
Energy: 1.1490996738073758
Energy: 1.067272291637124
Energy: 1.0714438632632404
Energy: 1.0757549589790503
Energy: 1.0714438632632404
Energy: 1.067272291637124
Energy: 1.0714438632620553
Energy: 1.0646787238526176
Energy: 1.0652594429201758
Energy: 1.0658330108597662
Energy: 1.0652594429201758
Energy: 1.0646787238526176
Energy: 1.0652594429201758
Energy: 1.070252363210519
Energy: 1.068268816615743
Energy: 1.0719261642638982
Energy: 1.068268816614558
Energy: 1.070252363210519
Energy: 1.068268816614558
Energy: 1.0682820130706567
Energy: 1.0697506045940055
Energy: 1.1382734414377214
Energy: 1.0697506045940055
Energy: 1.0682820130706567
Energy: 1.0697506045940055
Energy: 1.0691607502083451
Energy: 1.0667354676607916
Energy: 1.0672549008324947
Energy: 1.0667354676607916
Energy: 1.0691607502095304
Energy: 1.0667354676607916
Energy: 1.066755573533805
Energy: 1.0698965433675556
Energy: 1.081220234596247
Energy: 1.0698965433675556
Energy: 1.0667555735349905
Energy: 1.0698965433675556
Energy: 1.0695623995080676
Energy: 1.4582869888904086
Energy: 1.0720109099095836
Energy: 1.4582869888904086
Energy: 1.0695623995080676
Energy: 1.4582869888904086
Energy: 1.0687965136549662
Energy: 1.0694092099166745
Energy: 1.0647081641375884
Energy: 1.0694092099166745
Energy: 1.0687965136549662
Energy: 1.0694092099154893
Energy: 1.0675924574401103
Energy: 1.1007920419222363
Energy: 1.067616187790137
Energy: 1.1007920419222363
Energy: 1.0675924574401103
Energy: 1.1007920419222363
Energy: 1.0647001148910415
Energy: 1.0682150007957947
Energy: 1.0688035724694565
Energy: 1.0682150007957947
Energy: 1.0647001148910415
Energy: 1.0682150007957947
Energy: 1.0720778639674313
Energy: 1.4582848024086918
Energy: 1.0695623487176056
Energy: 1.4582848024075068
Energy: 1.0720778639674313
Energy: 1.4582848024086918
Energy: 1.0811642396239773
Energy: 1.0696289907162146
Energy: 1.0668846380822348
Energy: 1.0696289907162146
Energy: 1.0811642396239773
Energy: 1.0696289907162146
Energy: 1.067225781855274
Energy: 1.2914597272653405
Energy: 1.0690518912761102
Energy: 1.2914597272641553
Energy: 1.067225781855274
Energy: 1.2914597272641553
Energy: 1.1002931662217021
Energy: 1.0696005742047006
Energy: 1.068285900019207
Energy: 1.0696005742047006
Energy: 1.1002931662217021
Energy: 1.0696005742035155
Energy: 1.0719346945355956
Energy: 1.0687669441962901
Energy: 1.0702564375604555
Energy: 1.0687669441951053
Energy: 1.0719346945355956
Energy: 1.0687669441951053

minimum gb energy = 1.0646787238526176 eV
minimum distance =  2.29889726438751 Angstroms
sigma value = 17


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

Energy: 1.1596754446113693
Energy: 1.1584357901731508
Energy: 1.1776015964302444
Energy: 1.1584357901731508
Energy: 1.1596754446113693
Energy: 1.1584357901731508
Energy: 1.1771700328018089
Energy: 1.1489025242574418
Energy: 1.149335134672051
Energy: 1.1489025242574418
Energy: 1.1771700328018089
Energy: 1.1489025242574418
Energy: 1.1509559727610768
Energy: 1.15109169119021
Energy: 1.345891595462869
Energy: 1.15109169119021
Energy: 1.1509559727610768
Energy: 1.15109169119021
Energy: 1.1748927984643271
Energy: 1.1492251315221091
Energy: 1.1493668776796997
Energy: 1.1492251315221091
Energy: 1.1748927984643271
Energy: 1.1492251315221091
Energy: 1.1477748211011136
Energy: 1.1483826943311712
Energy: 1.1505715702532833
Energy: 1.1483826943328472
Energy: 1.1477748211011136
Energy: 1.1483826943311712
Energy: 1.1489819482541834
Energy: 1.1586091500405973
Energy: 1.1600015576346803
Energy: 1.1586091500405973
Energy: 1.1489819482541834
Energy: 1.1586091500405973
Energy: 1.1527337250709644
Energy: 1.3252627671960018
Energy: 1.1805517786688016
Energy: 1.3252627671960018
Energy: 1.1527337250709644
Energy: 1.3252627671960018
Energy: 1.1485271156316699
Energy: 1.4359094187529808
Energy: 1.1494618774658276
Energy: 1.4359094187529808
Energy: 1.1485271156316699
Energy: 1.4359094187529808
Energy: 1.1478132007265993
Energy: 1.148111112844035
Energy: 1.2777518462547215
Energy: 1.148111112844035
Energy: 1.1478132007265993
Energy: 1.148111112844035
Energy: 1.159407008587386
Energy: 1.1315089616834588
Energy: 1.149444372288193
Energy: 1.1315089616851348
Energy: 1.159407008587386
Energy: 1.1315089616851348
Energy: 1.1615497496414227
Energy: 1.1509865615692527
Energy: 1.1573442396843483
Energy: 1.1509865615675765
Energy: 1.1615497496397464
Energy: 1.1509865615692527
Energy: 1.1483224679500736
Energy: 1.1512429467669643
Energy: 1.1547098682210513
Energy: 1.1512429467686403
Energy: 1.1483224679500736
Energy: 1.1512429467686403
Energy: 1.1480142456204772
Energy: 1.2960034113047734
Energy: 1.1540466631543236
Energy: 1.2960034113047734
Energy: 1.1480142456204772
Energy: 1.2960034113047734
Energy: 1.1485184956544947
Energy: 1.1486930318627677
Energy: 1.1496149453395472
Energy: 1.1486930318627677
Energy: 1.1485184956544947
Energy: 1.1486930318627677
Energy: 1.1530204392029466
Energy: 1.4157728173536868
Energy: 1.1602740226799833
Energy: 1.4157728173536868
Energy: 1.1530204392029466
Energy: 1.4157728173536868
Energy: 1.1540332115166612
Energy: 1.1491223513108573
Energy: 1.1601757538073343
Energy: 1.1491223513108573
Energy: 1.1540332115166612
Energy: 1.1491223513108573
Energy: 1.1579267771100354
Energy: 1.1496270972374965
Energy: 1.1483141059486373
Energy: 1.1496270972374965
Energy: 1.1579267771100354
Energy: 1.1496270972374965

minimum gb energy = 1.1315089616834588 eV
minimum distance =  2.27659879738725 Angstroms
sigma value = 17


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

Energy: 1.7054797023116934
Energy: 1.5567946383613587
Energy: 1.6477951936908588
Energy: 1.5567946383613587
Energy: 1.7054797023116934
Energy: 1.5567946383613587
Energy: 1.4151894813798684
Energy: 1.1490920029132803
Energy: 1.135649224157333
Energy: 1.1490920029132803
Energy: 1.4151894813798684
Energy: 1.1490920029139275
Energy: 1.1412952936122316
Energy: 1.238086412050924
Energy: 1.1317322621681722
Energy: 1.238086412050924
Energy: 1.1412952936128786
Energy: 1.238086412050924
Energy: 1.1466364082917966
Energy: 1.131437963135409
Energy: 1.248897432419797
Energy: 1.131437963135409
Energy: 1.1466364082911493
Energy: 1.1314379631360563
Energy: 1.1352379075942374
Energy: 1.187304994568807
Energy: 1.451625312433634
Energy: 1.1873049945681595
Energy: 1.1352379075942374
Energy: 1.187304994568807
Energy: 1.2614441448757996
Energy: 1.1388507658206068
Energy: 1.2777260548372562
Energy: 1.1388507658219014
Energy: 1.2614441448764468
Energy: 1.138850765821254
Energy: 1.136521193465759
Energy: 1.2600361827440019
Energy: 1.4169877473351782
Energy: 1.2600361827433548
Energy: 1.1365211934664066
Energy: 1.2600361827433548
Energy: 1.3965151887715879
Energy: 1.1332991708433728
Energy: 1.1342969762762733
Energy: 1.1332991708433728
Energy: 1.3965151887715879
Energy: 1.1332991708446676
Energy: 1.2793172482965505
Energy: 1.138626105613889
Energy: 1.1523504913916638
Energy: 1.138626105613889
Energy: 1.2793172482965505
Energy: 1.138626105613889
Energy: 1.3927591220229398
Energy: 1.2224948748267748
Energy: 1.1367552457788948
Energy: 1.1885074007452878
Energy: 1.3927591220235869
Energy: 1.2224948748274216
Energy: 1.2505257556991503
Energy: 1.3785964639209856
Energy: 1.2442866603797527
Energy: 1.3785964639216328
Energy: 1.2505257556991503
Energy: 1.3785964639209856
Energy: 1.146945678357676
Energy: 1.1473547511140878
Energy: 1.1484368284454212
Energy: 1.1473547511140878
Energy: 1.1469456783570287
Energy: 1.1473547511134405
Energy: 1.1381206091051552
Energy: 1.135309964208969
Energy: 1.4260816970191585
Energy: 1.1353099642102633
Energy: 1.1381206091058025
Energy: 1.135309964208969
Energy: 1.1594595202951896
Energy: 1.412572898716384
Energy: 1.6259570243480232
Energy: 1.412572898716384
Energy: 1.1594595202951896
Energy: 1.412572898716384
Energy: 1.14750130068355
Energy: 1.3865176613498433
Energy: 1.2435530821343925
Energy: 1.3865176613498433
Energy: 1.14750130068355
Energy: 1.3865176613498433
Energy: 1.2496909426273188
Energy: 1.370735531950122
Energy: 1.1488377852617158
Energy: 1.3707355319514165
Energy: 1.2496909426273188
Energy: 1.4701991645938841
Energy: 1.2579996889573344
Energy: 1.1307404447450966
Energy: 1.154628903025489
Energy: 1.1307404447450966
Energy: 1.2579996889573344
Energy: 1.1307404447457439
Energy: 1.6057892883414597
Energy: 1.4198967194121843
Energy: 1.1567626268230267
Energy: 1.419896719411537
Energy: 1.6057892883414597
Energy: 1.419896719411537
Energy: 1.5252845100413779
Energy: 1.3734060468105773
Energy: 1.1401351629146321
Energy: 1.3734060468099298
Energy: 1.5252845100413779
Energy: 1.3734060468099298
Energy: 1.1462767842443164
Energy: 1.190822244127607
Energy: 1.1462633461527139
Energy: 1.2261804864125607
Energy: 1.1462767842436694
Energy: 1.1908222441289014
Energy: 1.1401156395406704
Energy: 1.3620486824044757
Energy: 1.605324973500914
Energy: 1.3620486824038285
Energy: 1.1401156395406704
Energy: 1.3620486824038285
Energy: 1.1567740939632642
Energy: 1.419902594308733
Energy: 1.605806576935058
Energy: 1.419902594308733
Energy: 1.156774093962617
Energy: 1.419902594308733
Energy: 1.1498000752413897
Energy: 1.130842116266131
Energy: 1.258184803327079
Energy: 1.1308421162674254
Energy: 1.1498000752407425
Energy: 1.1308421162667783
Energy: 1.1488412249648878
Energy: 1.2367937613426476
Energy: 1.249905024080692
Energy: 1.2367937613426476
Energy: 1.148841224965535
Energy: 1.2367937613426476
Energy: 1.2435950095287642
Energy: 1.3865495031641373
Energy: 1.1545303674005911
Energy: 1.3865495031634902
Energy: 1.243595009528117
Energy: 1.3865495031634902
Energy: 1.6261526206080785
Energy: 1.4127424670681386
Energy: 1.1594588242349653
Energy: 1.4127424670681386
Energy: 1.6261526206080785
Energy: 1.412742467066844
Energy: 1.4260219603829647
Energy: 1.1353869697370012
Energy: 1.137923797009431
Energy: 1.1353869697363543
Energy: 1.4260219603849063
Energy: 1.1353869697363543
Energy: 1.148454753756455
Energy: 1.1472710300493472
Energy: 1.1469148195548442
Energy: 1.1472710300487
Energy: 1.148454753756455
Energy: 1.1472710300474056
Energy: 1.244320500261972
Energy: 1.378507722999215
Energy: 1.2505418020340708
Energy: 1.3785077229998624
Energy: 1.2443205002613245
Energy: 1.3785077229998624
Energy: 1.136773409477346
Energy: 1.2164258003274184
Energy: 1.392786622804786
Energy: 1.2164258003287132
Energy: 1.136773409477346
Energy: 1.2164258003293602
Energy: 1.1523660932672681
Energy: 1.1384463214030405
Energy: 1.2793130942417685
Energy: 1.1384463214030405
Energy: 1.1523660932672681
Energy: 1.1384463214030405
Energy: 1.1342990388412577
Energy: 1.1332388187183526
Energy: 1.3964571675401034
Energy: 1.133238818719647
Energy: 1.1342990388406107
Energy: 1.1332388187189997
Energy: 1.4169516906780755
Energy: 1.25998118880664
Energy: 1.136532299678485
Energy: 1.2599811888072874
Energy: 1.4169516906780755
Energy: 1.2599811888072874
Energy: 1.2777414650189032
Energy: 1.1390428224970623
Energy: 1.2613644388510292
Energy: 1.139042822496415
Energy: 1.2777414650189032
Energy: 1.139042822496415
Energy: 1.4165405229782595
Energy: 1.1873049945675123
Energy: 1.1352364052595483
Energy: 1.1873049945675123
Energy: 1.4165405229782595
Energy: 1.1873049945675123
Energy: 1.2488930584967535
Energy: 1.1312143300289565
Energy: 1.1466577452500852
Energy: 1.1312143300283093
Energy: 1.2488930584961062
Energy: 1.1312143300296036
Energy: 1.131538231706658
Energy: 1.2380563797321977
Energy: 1.141302000513996
Energy: 1.2380563797315507
Energy: 1.131538231706658
Energy: 1.2380563797315507
Energy: 1.1356505803153651
Energy: 1.1490949611408288
Energy: 1.4151088189710854
Energy: 1.1490949611408288
Energy: 1.1356505803153651
Energy: 1.1490949611408288
Energy: 1.2200732749230587
Energy: 1.5567946383613587
Energy: 1.7054797023116934
Energy: 1.5567946383613587
Energy: 1.220073274918528
Energy: 1.5567946383613587
Energy: 1.1356492241566858
Energy: 1.1490920029139275
Energy: 1.4151894813805157
Energy: 1.1490920029139275
Energy: 1.1356492241566858
Energy: 1.1490920029139275
Energy: 1.1317322621688195
Energy: 1.238086412050924
Energy: 1.1412952936122316
Energy: 1.2380864120502768
Energy: 1.1317322621688195
Energy: 1.2380864120502768
Energy: 1.2488974324204443
Energy: 1.131437963134144
Energy: 1.1466364082943856
Energy: 1.131437963134144
Energy: 1.248897432421091
Energy: 1.131437963133497
Energy: 1.451625312433634
Energy: 1.1873049945675123
Energy: 1.1352379075942374
Energy: 1.1873049945681595
Energy: 1.451625312433634
Energy: 1.1873049945681595

minimum gb energy = 1.1307404447450966 eV
minimum distance =  2.25560295691426 Angstroms
sigma value = 57


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

Energy: 1.4977145779845888
Energy: 1.3595055817156159
Energy: 1.4660056257513547
Energy: 1.3595055817187776
Energy: 1.4977145779845888
Energy: 1.3595055817187776
Energy: 1.3018338369955607
Energy: 1.1556850892604495
Energy: 1.1555008008937124
Energy: 1.155685089259396
Energy: 1.3018338369955607
Energy: 1.155685089259396
Energy: 1.1572192401194528
Energy: 1.2289562767298845
Energy: 1.2175896623645182
Energy: 1.2289562767288307
Energy: 1.1572192401194528
Energy: 1.2289562767277769
Energy: 1.27911569765444
Energy: 1.237972896375312
Energy: 1.450098361807343
Energy: 1.2379728963784737
Energy: 1.27911569765444
Energy: 1.2379728963784737
Energy: 1.1072627084220463
Energy: 1.1951796920373094
Energy: 1.4791664154715132
Energy: 1.1951796920362556
Energy: 1.1072627084220463
Energy: 1.1951796920362556
Energy: 1.4038476505201378
Energy: 1.2393448140049232
Energy: 1.4501874992013861
Energy: 1.2393448140038694
Energy: 1.4038476505190842
Energy: 1.2393448140038694
Energy: 1.1593008178815647
Energy: 1.2396470926635954
Energy: 1.160524653151394
Energy: 1.2396470926625414
Energy: 1.1593008178815647
Energy: 1.239647092664649
Energy: 1.1059828938626517
Energy: 1.2315112066226581
Energy: 1.1553796626573993
Energy: 1.2315112066216043
Energy: 1.1059828938626517
Energy: 1.2315112066216043
Energy: 1.3044038207650743
Energy: 1.1081036658489862
Energy: 1.1626443734617755
Energy: 1.108103665842663
Energy: 1.3044038207650743
Energy: 1.1081036658321721
Energy: 1.3749313051352139
Energy: 1.1556374691957834
Energy: 1.157443238267353
Energy: 1.1556374691957834
Energy: 1.3749313051352139
Energy: 1.1556374691957834
Energy: 1.1594599632314684
Energy: 1.1077256181332904
Energy: 1.4424616730976063
Energy: 1.1077256181343442
Energy: 1.1594599632314684
Energy: 1.1077256181353983
Energy: 1.2153739408700017
Energy: 1.2387787983230933
Energy: 1.4469930750626692
Energy: 1.2387787983188778
Energy: 1.2153739408700017
Energy: 1.2387787983188778
Energy: 1.1117393862298686
Energy: 1.2410181718075366
Energy: 1.4443588393209696
Energy: 1.2410181718075366
Energy: 1.1117393862298686
Energy: 1.2410181718054287
Energy: 1.3968892088738512
Energy: 1.3034687471427098
Energy: 1.447240575541947
Energy: 1.3034687471437636
Energy: 1.3968892088738512
Energy: 1.3034687471427098
Energy: 1.166542855169411
Energy: 1.2411342192091266
Energy: 1.159730797075797
Energy: 1.2411342192091266
Energy: 1.1665428551704649
Energy: 1.2411342192091266
Energy: 1.3783713719073556
Energy: 1.1792236355268655
Energy: 1.1594723634860413
Energy: 1.1792236355258117
Energy: 1.3783713719084096
Energy: 1.179223635532135
Energy: 1.492159489560765
Energy: 1.2369626531212388
Energy: 1.1602690312834083
Energy: 1.2369626531233464
Energy: 1.492159489560765
Energy: 1.2369626531222926
Energy: 1.4536173505267396
Energy: 1.3035115008003342
Energy: 1.163987558177411
Energy: 1.3035115008003342
Energy: 1.4536173505267396
Energy: 1.3035115008003342
Energy: 1.1668927617072788
Energy: 1.1081018754000735
Energy: 1.4455307995661688
Energy: 1.1081018754000735
Energy: 1.1668927617072788
Energy: 1.1081018754000735
Energy: 1.237919878352439
Energy: 1.2302532706030296
Energy: 1.45120164406846
Energy: 1.2302532706040834
Energy: 1.2379198783513854
Energy: 1.2302532706040834
Energy: 1.1164269935663307
Energy: 1.238471296436483
Energy: 1.4543848344530206
Energy: 1.238471296436483
Energy: 1.1164269935663307
Energy: 1.238471296437537
Energy: 1.158142922347305
Energy: 1.107578338637854
Energy: 1.4447496543132448
Energy: 1.1075783386357463
Energy: 1.158142922347305
Energy: 1.1075783386357463
Energy: 1.1697831081296002
Energy: 1.229776925164102
Energy: 1.1632217357832517
Energy: 1.2297769251630484
Energy: 1.1697831081296002
Energy: 1.2297769251619943
Energy: 1.316747671685228
Energy: 1.6004120997264206
Energy: 1.16328136397782
Energy: 1.6004120997264206
Energy: 1.316747671685228
Energy: 1.6004120997264206
Energy: 1.3030152558479802
Energy: 1.255797229182414
Energy: 1.1628404433350472
Energy: 1.255797229182414
Energy: 1.303015255849034
Energy: 1.255797229182414
Energy: 1.1706823721496311
Energy: 1.2400900298044815
Energy: 1.1631457668576075
Energy: 1.2400900298023738
Energy: 1.1706823721496311
Energy: 1.240090029807643
Energy: 1.169368203530345
Energy: 1.1067012376269276
Energy: 1.4481074308619801
Energy: 1.106701237622712
Energy: 1.169368203530345
Energy: 1.1067012376216583

minimum gb energy = 1.1059828938626517 eV
minimum distance =  2.30289876224409 Angstroms
sigma value = 43


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

Energy: 1.3614965106597163
Energy: 1.1784460905120746
Energy: 1.7200757872055503
Energy: 1.1784460905113068
Energy: 1.3614965106597163
Energy: 1.1784460905113068
Energy: 1.2328437325018287
Energy: 1.1757197568854791
Energy: 1.1581019227304732
Energy: 1.1757197568862467
Energy: 1.2328437325010606
Energy: 1.1757197568862467
Energy: 1.1573376951671064
Energy: 1.3102394613810513
Energy: 1.1581479441143614
Energy: 1.3102394613802835
Energy: 1.1573376951671064
Energy: 1.3102394613802835
Energy: 1.3688285332289118
Energy: 1.1580955548570262
Energy: 1.307228840749113
Energy: 1.1580955548585619
Energy: 1.3688285332289118
Energy: 1.1580955548585619
Energy: 1.1569829948202142
Energy: 1.2335395194116292
Energy: 1.2779262518265257
Energy: 1.2335395194116292
Energy: 1.1569829948202142
Energy: 1.2335395194116292
Energy: 1.290147140889856
Energy: 1.289266013118384
Energy: 1.1783524131615621
Energy: 1.289266013118384
Energy: 1.290147140890624
Energy: 1.289266013118384
Energy: 1.179981970938893
Energy: 1.2897428998253226
Energy: 1.176041681193502
Energy: 1.2897428998253226
Energy: 1.179981970938893
Energy: 1.2897428998253226
Energy: 1.2999428886530655
Energy: 1.2337281691019746
Energy: 1.1564291269134135
Energy: 1.2337281691027424
Energy: 1.2999428886530655
Energy: 1.2337281691027424
Energy: 1.3082453466739083
Energy: 1.1574399659127919
Energy: 1.3128313578765087
Energy: 1.157439965912024
Energy: 1.3082453466739083
Energy: 1.1574399659143277
Energy: 1.398667442997199
Energy: 1.311598820423151
Energy: 1.1615590530050641
Energy: 1.3115988204239186
Energy: 1.3986674429979669
Energy: 1.3115988204239186
Energy: 1.1597053784806528
Energy: 1.228402836348622
Energy: 1.5287558649473805
Energy: 1.228402836348622
Energy: 1.1597053784806528
Energy: 1.228402836348622
Energy: 1.17597374844669
Energy: 1.1781779822947283
Energy: 1.3649473406065487
Energy: 1.1781779822947283
Energy: 1.17597374844669
Energy: 1.1781779822947283
Energy: 1.157870127905444
Energy: 1.17643050347776
Energy: 1.3063322270387796
Energy: 1.176430503476992
Energy: 1.1578701279046764
Energy: 1.17643050347776
Energy: 1.3068909364752201
Energy: 1.1574542411637947
Energy: 1.1615614786394683
Energy: 1.1574542411637947
Energy: 1.3068909364752201
Energy: 1.1574542411637947
Energy: 1.3126497090649718
Energy: 1.1588292162099056
Energy: 1.1737154892111121
Energy: 1.1588292162099056
Energy: 1.3126497090649718
Energy: 1.1588292162099056
Energy: 1.2907510787268783
Energy: 1.3070300977840155
Energy: 1.155166920552543
Energy: 1.3070300977832474
Energy: 1.2907510787261103
Energy: 1.3070300977832474
Energy: 1.1775709077233485
Energy: 1.1779502680688685
Energy: 1.2907175496972076
Energy: 1.1779502680688685
Energy: 1.1775709077233485
Energy: 1.1779502680696365
Energy: 1.1780110364544807
Energy: 1.2915872392354928
Energy: 1.1775301455102345
Energy: 1.2915872392362606
Energy: 1.1780110364544807
Energy: 1.2915872392362606
Energy: 1.156679714049197
Energy: 1.1770045788860157
Energy: 1.3067963074811264
Energy: 1.1770045788860157
Energy: 1.156679714049965
Energy: 1.1770045788860157
Energy: 1.1572496614395578
Energy: 1.2885974208567739
Energy: 1.3070609905691464
Energy: 1.2885974208567739
Energy: 1.1572496614403256
Energy: 1.2885974208567739
Energy: 1.1573704208725846
Energy: 1.3131600532304935
Energy: 1.1754412958497893
Energy: 1.3131600532312615
Energy: 1.1573704208725846
Energy: 1.3131600532312615
Energy: 1.6797909252492413
Energy: 1.1635907002540176
Energy: 1.1577917114779324
Energy: 1.1635907002547854
Energy: 1.6797909252492413
Energy: 1.1635907002532495
Energy: 1.578408055756703
Energy: 1.1562666221134834
Energy: 1.1752378024053476
Energy: 1.1562666221127154
Energy: 1.5784080557559352
Energy: 1.1562666221127154
Energy: 1.1571450826377234
Energy: 1.3021134481066032
Energy: 1.1750659888452513
Energy: 1.3021134481066032
Energy: 1.1571450826377234
Energy: 1.3021134481066032
Energy: 1.1574661141142586
Energy: 1.2998699263190878
Energy: 1.3070569156334162
Energy: 1.29986992631832
Energy: 1.1574661141134908
Energy: 1.2998699263175522
Energy: 1.1732303659530017
Energy: 1.3310678080117184
Energy: 1.3069150053038041
Energy: 1.3310678080109506
Energy: 1.1732303659530017
Energy: 1.3310678080109506
Energy: 1.1619156331543354
Energy: 1.4972156557818483
Energy: 1.2900379764919472
Energy: 1.4972156557810803
Energy: 1.1619156331543354
Energy: 1.4972156557818483
Energy: 1.2899444047472914
Energy: 1.2767867778859536
Energy: 1.289998236198134
Energy: 1.2767867778851858
Energy: 1.2899444047472914
Energy: 1.2767867778851858
Energy: 1.2897890448868714
Energy: 1.4972060490043986
Energy: 1.1752839936173738
Energy: 1.4972060490051666
Energy: 1.2897890448861034
Energy: 1.4972060490051666
Energy: 1.306723957994799
Energy: 1.3312740972370596
Energy: 1.1730376871773125
Energy: 1.3312740972370596
Energy: 1.306723957994799
Energy: 1.3312740972370596
Energy: 1.306840062041873
Energy: 1.29987412814528
Energy: 1.157438513439199
Energy: 1.29987412814528
Energy: 1.3068400620411051
Energy: 1.29987412814528
Energy: 1.1750348492502891
Energy: 1.3021609123939837
Energy: 1.157039234164427
Energy: 1.3021609123939837
Energy: 1.175034849251022
Energy: 1.3021609123939837
Energy: 1.1752143370975832
Energy: 1.1563013197961571
Energy: 1.7974176867531002
Energy: 1.1563013197953895
Energy: 1.1752143370975832
Energy: 1.1563013197953895
Energy: 1.1580507093377121
Energy: 1.163477527455258
Energy: 1.6796649825385628
Energy: 1.1634775274544902
Energy: 1.1580507093377121
Energy: 1.1634775274560258
Energy: 1.175448627907183
Energy: 1.3131341500104257
Energy: 1.1572971264131195
Energy: 1.3131341500111937
Energy: 1.175448627907183
Energy: 1.3131341500111937
Energy: 1.3069207936757103
Energy: 1.288604763244896
Energy: 1.157257821462139
Energy: 1.2886047632441284
Energy: 1.3069207936757103
Energy: 1.288604763244896

minimum gb energy = 1.155166920552543 eV
minimum distance =  2.28516328365418 Angstroms
sigma value = 81


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

Energy: 1.1973452014353154
Energy: 1.1982793852618143
Energy: 2.0744743661865925
Energy: 1.1982793852612694
Energy: 1.1973452014353154
Energy: 1.1982793852612694
Energy: 1.198750132128526
Energy: 1.1981365033383053
Energy: 1.1973660018232877
Energy: 1.1981365033385938
Energy: 1.1987501321293599
Energy: 1.1981365033385938
Energy: 1.1973651308585995
Energy: 1.1982856671971547
Energy: 1.179979773392133
Energy: 1.1982856671971547
Energy: 1.1973651308588562
Energy: 1.1982856671974431
Energy: 1.727454871589663
Energy: 1.1982793852615579
Energy: 1.1973452014353154
Energy: 1.1982793852612694
Energy: 1.7274548715893743
Energy: 1.1982793852612694
Energy: 1.197366001822999
Energy: 1.1981365033383053
Energy: 1.1987501321301934
Energy: 1.1981365033383053
Energy: 1.197366001822999
Energy: 1.1981365033383053
Energy: 1.61202037603742
Energy: 1.1982856671974431
Energy: 1.1973651308588562
Energy: 1.1982856671977318
Energy: 1.61202037603742
Energy: 1.1982856671977318
Energy: 1.1973452014353154
Energy: 1.1982793852612694
Energy: 1.3683713768858508
Energy: 1.1982793852618143
Energy: 1.1973452014353154
Energy: 1.1982793852618143
Energy: 1.198750132131604
Energy: 1.1981365033385938
Energy: 1.1973660018232877
Energy: 1.1981365033383053
Energy: 1.1987501321318927
Energy: 1.1981365033380487
Energy: 1.1973651308588562
Energy: 1.1982856671974431
Energy: 1.61202037603742
Energy: 1.1982856671974431
Energy: 1.1973651308588562
Energy: 1.1982856671974431
Energy: 1.3683713768889285
Energy: 1.1982793852612694
Energy: 1.1973452014353154
Energy: 1.1982793852615579
Energy: 1.3683713768900507
Energy: 1.1982793852615579

minimum gb energy = 1.179979773392133 eV
minimum distance =  2.25587286625254 Angstroms
sigma value = 3


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

Energy: 1.5275058046357004
Energy: 1.1842058881399598
Energy: 1.6393854481912087
Energy: 1.184205888140804
Energy: 1.5275058046871628
Energy: 1.1842058881416482
Energy: 1.154859833410118
Energy: 1.166578788406152
Energy: 1.1413970686596455
Energy: 1.1665787884053078
Energy: 1.1548598334109625
Energy: 1.1665787884053078
Energy: 1.1501445935655408
Energy: 1.1503680856779899
Energy: 1.1442529313565246
Energy: 1.1503680856779899
Energy: 1.1501445935655408
Energy: 1.1503680856779899
Energy: 1.1489375323050206
Energy: 1.3871860306728554
Energy: 1.311238947907723
Energy: 1.3871860305505124
Energy: 1.1489375323075532
Energy: 1.3871860307749742
Energy: 1.2757232714358453
Energy: 1.1558578666470647
Energy: 1.1408968797207066
Energy: 1.1558578666470647
Energy: 1.2757232714358453
Energy: 1.1558578666470647
Energy: 1.370001220497806
Energy: 1.194992886826877
Energy: 1.1297908589670456
Energy: 1.194992886826877
Energy: 1.3700012204969614
Energy: 1.194992886826877
Energy: 1.2757709845203715
Energy: 1.1571192015788507
Energy: 1.2875754180784453
Energy: 1.1571192015788507
Energy: 1.2757709845203715
Energy: 1.1571192015780067
Energy: 1.156789319680038
Energy: 1.529685398615141
Energy: 1.311616529869754
Energy: 1.5296853986159853
Energy: 1.156789319680038
Energy: 1.5296853986159853
Energy: 1.1498351733893004
Energy: 1.1503927279692754
Energy: 1.558952107852047
Energy: 1.1503927279692754
Energy: 1.1498351733893004
Energy: 1.1503927279684312
Energy: 1.150347106183021
Energy: 1.1676700274455223
Energy: 1.144244509545303
Energy: 1.1676700274455223
Energy: 1.150347106183021
Energy: 1.1676700274455223
Energy: 1.6118983235961946
Energy: 1.1271259856760811
Energy: 1.2895034083446464
Energy: 1.1271259856769253
Energy: 1.6118983235961946
Energy: 1.1271259856760811
Energy: 1.6148004257448278
Energy: 1.1418008723706645
Energy: 1.140505521997503
Energy: 1.1418008723706645
Energy: 1.6148004257456718
Energy: 1.1418008723715092
Energy: 1.1499439605349542
Energy: 1.3424299815876395
Energy: 1.1409115415721793
Energy: 1.3424299815893281
Energy: 1.1499439605349542
Energy: 1.3424299815893281
Energy: 1.151507512294902
Energy: 1.2594567339849525
Energy: 1.3110188978176267
Energy: 1.2594567339841085
Energy: 1.151507512294902
Energy: 1.2594567339841085
Energy: 1.2758002913900757
Energy: 1.2480479822806045
Energy: 1.3109226068177344
Energy: 1.248047982281449
Energy: 1.2758002913900757
Energy: 1.2480479822806045
Energy: 1.2760862427170179
Energy: 1.1684868270367939
Energy: 1.1276064726400896
Energy: 1.1684868270376383
Energy: 1.2760862427170179
Energy: 1.1684868270376383
Energy: 1.2759396943446524
Energy: 1.1682651612966768
Energy: 1.1280796582768466
Energy: 1.1682651612949884
Energy: 1.2759396943446524
Energy: 1.1682651612958326
Energy: 1.2759612864653067
Energy: 1.2791976756277588
Energy: 1.3102988237885014
Energy: 1.2791976756269143
Energy: 1.2759612864653067
Energy: 1.2791976756269143
Energy: 1.1505220059832446
Energy: 1.1571665604639145
Energy: 1.3108726919558717
Energy: 1.1571665604639145
Energy: 1.1505220059840888
Energy: 1.1571665604639145
Energy: 1.1503656391894623
Energy: 1.3334760243375472
Energy: 1.1406429140292254
Energy: 1.3334760243383914
Energy: 1.1503656391894623
Energy: 1.3334760243383914
Energy: 1.5275665406056442
Energy: 1.2630437472272513
Energy: 1.140780875603085
Energy: 1.2630437472264073
Energy: 1.5275665406056442
Energy: 1.2630437472264073
Energy: 1.587683416804869
Energy: 1.2892162374451483
Energy: 1.289038286716174
Energy: 1.2892162374434595
Energy: 1.587683416804869
Energy: 1.2892162374434595
Energy: 1.1504234311951254
Energy: 1.3140878600010537
Energy: 1.1406588466807415
Energy: 1.3140878600010537
Energy: 1.1504234311959696
Energy: 1.3140878600010537
Energy: 1.1505964467779604
Energy: 1.1505964543637581
Energy: 1.5617925984174483
Energy: 1.1505964543637581
Energy: 1.1505964467779604
Energy: 1.1505964543637581
Energy: 1.157809664169353
Energy: 1.2726925928332455
Energy: 1.3129015709914449
Energy: 1.2726925928324013
Energy: 1.157809664169353
Energy: 1.2726925928315571
Energy: 1.2764030819325434
Energy: 1.1686685063310323
Energy: 1.2000927442850453
Energy: 1.1686685063293438
Energy: 1.2764030819325434
Energy: 1.1686685063318765
Energy: 1.275937521729944
Energy: 1.1673988111976588
Energy: 1.128556785035363
Energy: 1.1673988111968143
Energy: 1.275937521729944
Energy: 1.1673988111968143
Energy: 1.2764639002028866
Energy: 1.2526738876006074
Energy: 1.142218177551352
Energy: 1.2526738875989187
Energy: 1.276463900203731
Energy: 1.2526738875997632
Energy: 1.1964014015689708
Energy: 1.1410849684737652
Energy: 1.311043518562514
Energy: 1.1410849684746096
Energy: 1.1964014015689708
Energy: 1.1410849684746096
Energy: 1.1514899096783695
Energy: 1.150027454800762
Energy: 1.4717006663456358
Energy: 1.1500274548016065
Energy: 1.1514899096783695
Energy: 1.1500274548016065
Energy: 1.1614979133499137
Energy: 1.1669447028845064
Energy: 1.14310335577405
Energy: 1.166944702883662
Energy: 1.1614979133507577
Energy: 1.1669447028828177
Energy: 1.6095029014385258
Energy: 1.2693940647690796
Energy: 1.1658620895592027
Energy: 1.2693940647673911
Energy: 1.6095029014376812
Energy: 1.2693940647665467
Energy: 1.1560981031872983
Energy: 1.1668801441453711
Energy: 1.1410026543268816
Energy: 1.1668801441453711
Energy: 1.1560981031864543
Energy: 1.1668801441445265

minimum gb energy = 1.1271259856760811 eV
minimum distance =  2.23908935857594 Angstroms
sigma value = 67


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

Energy: 1.327735166214747
Energy: 1.181747260021766
Energy: 1.6090874435235567
Energy: 1.181747260020563
Energy: 1.327735166214747
Energy: 1.181747260020563
Energy: 1.146713203537302
Energy: 1.1023299660234702
Energy: 1.1079591299054685
Energy: 1.1023299660222676
Energy: 1.146713203542114
Energy: 1.1023299660222676
Energy: 1.1018377734445355
Energy: 1.1723393290440456
Energy: 1.0975644673009897
Energy: 1.1723393290416395
Energy: 1.1018377734445355
Energy: 1.1723393290416395
Energy: 1.4843224229422307
Energy: 1.172950285515822
Energy: 1.2539648731070914
Energy: 1.1729502855170248
Energy: 1.4843224229410275
Energy: 1.172950285515822
Energy: 1.2531236137327202
Energy: 1.1689223053102131
Energy: 1.139052348685451
Energy: 1.1689223053114162
Energy: 1.2531236137327202
Energy: 1.1689223053102131
Energy: 1.2536954765166666
Energy: 1.1009920627268035
Energy: 1.0919639687676472
Energy: 1.1009920627280065
Energy: 1.2536954765166666
Energy: 1.1009920627280065
Energy: 1.1223241333482494
Energy: 1.1009522718357372
Energy: 1.101830047050188
Energy: 1.1009522718369402
Energy: 1.1223241333482494
Energy: 1.100952271838143
Energy: 1.251284778768342
Energy: 1.437597878412316
Energy: 1.6567962164309842
Energy: 1.4375978784111128
Energy: 1.251284778768342
Energy: 1.437597878412316
Energy: 1.2547674142698453
Energy: 1.1015427400610254
Energy: 1.6467316985817229
Energy: 1.1015427400598221
Energy: 1.2547674142698453
Energy: 1.1015427400610254
Energy: 1.2527879574645224
Energy: 1.1014977917286402
Energy: 1.1053565128136247
Energy: 1.1014977917298427
Energy: 1.2527879574645224
Energy: 1.1014977917298427
Energy: 1.257364570984557
Energy: 1.1017201719112053
Energy: 1.1036415136336077
Energy: 1.1017201719148144
Energy: 1.257364570984557
Energy: 1.1017201719136116
Energy: 1.2541706635698548
Energy: 1.1655045110302382
Energy: 1.2532801876844966
Energy: 1.1655045110302382
Energy: 1.2541706635698548
Energy: 1.1655045110302382
Energy: 1.1031367273655126
Energy: 1.1025148520718637
Energy: 1.2572815537684403
Energy: 1.1025148520718637
Energy: 1.1031367273655126
Energy: 1.1025148520730665
Energy: 1.1078059630151074
Energy: 1.1056807483056064
Energy: 1.2530924354632353
Energy: 1.1056807483068096
Energy: 1.1078059630151074
Energy: 1.1056807483068096
Energy: 1.3173727728799867
Energy: 1.3008769165443337
Energy: 1.2549210974192475
Energy: 1.3008769165443337
Energy: 1.3173727728775808
Energy: 1.3008769165443337
Energy: 1.3432768472577943
Energy: 1.326725605681051
Energy: 1.2507675222243164
Energy: 1.326725605682254
Energy: 1.3432768475163288
Energy: 1.326725605682254
Energy: 1.1025022599217709
Energy: 1.1007559334794959
Energy: 1.0944975013963423
Energy: 1.100755933480699
Energy: 1.1025022599217709
Energy: 1.100755933480699
Energy: 1.0944102515479763
Energy: 1.1011236651899121
Energy: 1.2535535383359864
Energy: 1.1011236651911152
Energy: 1.0944102515479763
Energy: 1.1011236651911152
Energy: 1.1382337884335656
Energy: 1.1815849858568355
Energy: 1.253107101492266
Energy: 1.1815849858652565
Energy: 1.1382337884323626
Energy: 1.1815849858640535
Energy: 1.2543404624303305
Energy: 1.1027772496469255
Energy: 1.3404338490177587
Energy: 1.1027772496469255
Energy: 1.2543404624303305
Energy: 1.1027772496469255
Energy: 1.2470000127474343
Energy: 1.1366478048276378
Energy: 1.086390265333795
Energy: 1.1366478048264348
Energy: 1.2470000127486371
Energy: 1.1366478048264348
Energy: 1.1096259968654143
Energy: 1.101885269208379
Energy: 1.320640157989842
Energy: 1.1018852692095817
Energy: 1.1096259968654143
Energy: 1.1018852692095817
Energy: 1.3591319094856824
Energy: 1.090993039861139
Energy: 1.1486837681977982
Energy: 1.090993039861139
Energy: 1.3591319094856824
Energy: 1.090993039862342

minimum gb energy = 1.086390265333795 eV
minimum distance =  2.26994199086381 Angstroms
sigma value = 33


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

Energy: 1.4334315247049854
Energy: 1.0677757146698255
Energy: 1.5842631749462424
Energy: 1.0677757146698255
Energy: 1.4334315247049854
Energy: 1.0677757146698255
Energy: 1.4927109550624322
Energy: 1.0490221867257112
Energy: 1.0275482687442226
Energy: 1.0490221867257112
Energy: 1.4927109550624322
Energy: 1.0490221867249483
Energy: 1.031543124488119
Energy: 1.1093844904186236
Energy: 1.4913246412825238
Energy: 1.109384490419387
Energy: 1.031543124488119
Energy: 1.109384490419387
Energy: 1.1090383035564808
Energy: 1.0279489266455577
Energy: 1.0436418027059384
Energy: 1.0279489266463209
Energy: 1.1090383035572438
Energy: 1.0279489266463209
Energy: 1.3729340239547403
Energy: 1.0284642627975131
Energy: 1.3569124981141987
Energy: 1.028464262772329
Energy: 1.3729340239547403
Energy: 1.0284642628241891
Energy: 1.3687976427682258
Energy: 1.0500495537112708
Energy: 1.0346032901721447
Energy: 1.0500495537112708
Energy: 1.3687976427674626
Energy: 1.0500495537105077
Energy: 1.0322599598710578
Energy: 1.0490913613756254
Energy: 1.0563075408937994
Energy: 1.0490913613756254
Energy: 1.0322599598710578
Energy: 1.0490913613756254
Energy: 1.0510318941973746
Energy: 1.027466624390137
Energy: 1.3698731574448726
Energy: 1.027466624390137
Energy: 1.0510318941973746
Energy: 1.027466624390137
Energy: 1.3582600938027172
Energy: 1.2824585094263916
Energy: 1.3708582965453717
Energy: 1.2824585094263916
Energy: 1.3582600938027172
Energy: 1.2824585094263916
Energy: 1.0465083921351874
Energy: 1.1110698991594357
Energy: 1.034549538180962
Energy: 1.0466111990713973
Energy: 1.0465083921351874
Energy: 1.1110698991594357
Energy: 1.034931473184091
Energy: 1.050418791793467
Energy: 1.0534644265671989
Energy: 1.050418791793467
Energy: 1.0349314731848196
Energy: 1.050418791793467
Energy: 1.030949563390535
Energy: 1.1091624625764824
Energy: 1.4943047257109996
Energy: 1.109162462575719
Energy: 1.030949563390535
Energy: 1.109162462575719
Energy: 1.3791978335835935
Energy: 1.3611033969399808
Energy: 1.4178531779095411
Energy: 1.3611033969392177
Energy: 1.3791978335835935
Energy: 1.3611033969384547
Energy: 1.0278856426330973
Energy: 1.0499475121128534
Energy: 1.035961834479041
Energy: 1.0499475121120903
Energy: 1.0278856426330973
Energy: 1.0499475121120903
Energy: 1.4021377689144499
Energy: 1.109102853171348
Energy: 1.0284060374576052
Energy: 1.109102853171348
Energy: 1.4021377689144499
Energy: 1.1091028531705847
Energy: 1.0432117525550781
Energy: 1.0279767181265833
Energy: 1.5000252850941105
Energy: 1.0279767181258201
Energy: 1.0432117525550781
Energy: 1.0279767181265833
Energy: 1.5427628638080892
Energy: 1.0517866291483486
Energy: 1.3892345930178862
Energy: 1.051786629140717
Energy: 1.5427628638080892
Energy: 1.0517866291460591
Energy: 1.0292675263958253
Energy: 1.048755049248194
Energy: 1.2897300051988263
Energy: 1.048755049248194
Energy: 1.0292675263958253
Energy: 1.048755049248194
Energy: 1.1943879769658996
Energy: 1.0486720600448631
Energy: 1.0285671460508736
Energy: 1.0486720600440997
Energy: 1.1943879769658996
Energy: 1.0486720600440997
Energy: 1.3684162366633112
Energy: 1.0288800817011572
Energy: 1.0512230119675585
Energy: 1.0288800817019201
Energy: 1.3684162366633112
Energy: 1.0288800817011572
Energy: 1.5145433899863328
Energy: 1.2764257954069627
Energy: 1.0444132466130183
Energy: 1.2764257954069627
Energy: 1.5145433899863328
Energy: 1.2764257954069627
Energy: 1.0296457457784487
Energy: 1.0495251177955829
Energy: 1.3568102054732363
Energy: 1.0495251177955829
Energy: 1.0296457457784487
Energy: 1.0495251177955829
Energy: 1.0571017564344924
Energy: 1.050385712380331
Energy: 1.029086413336882
Energy: 1.050385712379568
Energy: 1.0571017564344924
Energy: 1.050385712379568
Energy: 1.415047862996595
Energy: 1.1119854443285315
Energy: 1.0281558353933715
Energy: 1.1119854443300579
Energy: 1.415047862996595
Energy: 1.1119854443300579
Energy: 1.493881282199705
Energy: 1.108060029481289
Energy: 1.0346868314846471
Energy: 1.108060029481289
Energy: 1.4938812822012315
Energy: 1.108060029481289
Energy: 1.055424435408059
Energy: 1.3842429071393527
Energy: 1.0315175170894044
Energy: 1.3842429071393527
Energy: 1.055424435408059
Energy: 1.3842429071393527
Energy: 1.031839118205264
Energy: 1.0497922462184899
Energy: 1.358575963924428
Energy: 1.0497922462184899
Energy: 1.031839118205264
Energy: 1.0497922462184899
Energy: 1.3686060216939488
Energy: 1.2710014703115762
Energy: 1.0465037965571176
Energy: 1.271001470310813
Energy: 1.3686060216939488
Energy: 1.2710014703115762
Energy: 1.3731700395361641
Energy: 1.028099684863615
Energy: 1.0499097496104468
Energy: 1.0280996848628516
Energy: 1.3731700395361641
Energy: 1.028099684863615
Energy: 1.0511270843375011
Energy: 1.048761374310349
Energy: 1.0295919839972851
Energy: 1.048761374310349
Energy: 1.051127084336738
Energy: 1.048761374310349
Energy: 1.0315158667415352
Energy: 1.2593495927537663
Energy: 1.0279445580011877
Energy: 1.2593495927537663
Energy: 1.0315158667407722
Energy: 1.2593495927537663
Energy: 1.357300273627708
Energy: 1.051923428416165
Energy: 1.3683366837030468
Energy: 1.051923428416928
Energy: 1.357300273627708
Energy: 1.051923428416928
Energy: 1.0434027103532109
Energy: 1.2141059792195081
Energy: 1.4531733228074915
Energy: 1.2141059792195081
Energy: 1.0434027103532109
Energy: 1.2141059792195081
Energy: 1.2887576589847787
Energy: 1.1088584333603406
Energy: 1.0290488860745104
Energy: 1.1088584333595772
Energy: 1.2887576589847787
Energy: 1.1088584333595772
Energy: 1.0275053288450977
Energy: 1.0489925679757515
Energy: 1.2834243829834535
Energy: 1.0489925679757515
Energy: 1.0275053288450977
Energy: 1.0489925679757515
Energy: 1.3797077935683146
Energy: 1.0678280106196396
Energy: 1.412581237881969
Energy: 1.0678280106188767
Energy: 1.3797077935683146
Energy: 1.0678280106196396
Energy: 1.028486660343007
Energy: 1.1097411236780053
Energy: 1.4933329947796357
Energy: 1.109741123677242
Energy: 1.028486660343007
Energy: 1.1097411236780053

minimum gb energy = 1.027466624390137 eV
minimum distance =  2.26940280863827 Angstroms
sigma value = 41


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

Energy: 0.8898619512504612
Energy: 0.8642621213546275
Energy: 1.7669012690014774
Energy: 0.8642621213546275
Energy: 0.8898619512504612
Energy: 0.8642621213546275
Energy: 1.5231270531499683
Energy: 0.8629060016649154
Energy: 0.8643810529829814
Energy: 0.8629060016649154
Energy: 1.5231270531499683
Energy: 0.8629060016628318
Energy: 0.8902329832903545
Energy: 1.0972109843203073
Energy: 0.8669932850784666
Energy: 1.0972109843182238
Energy: 0.8902329832924382
Energy: 1.0972109843203073
Energy: 1.580880636420774
Energy: 0.8631393997793885
Energy: 0.86447002760125
Energy: 0.8631393997773049
Energy: 1.580880636420774
Energy: 0.8631393997773049
Energy: 0.8902072517719808
Energy: 0.8630021429058875
Energy: 0.8658088763198588
Energy: 0.8630021429079712
Energy: 0.8902072517719808
Energy: 0.8630021429079712
Energy: 0.8902334737652441
Energy: 0.9062217880948138
Energy: 0.8648961216680029
Energy: 0.9062217880948138
Energy: 0.8902334737652441
Energy: 0.9062217880948138
Energy: 1.578896737549034
Energy: 0.8632266316317972
Energy: 0.8651280286115535
Energy: 0.8632266316297136
Energy: 1.578896737542783
Energy: 0.8632266316297136
Energy: 0.8885866707926049
Energy: 0.8634436096901438
Energy: 0.8656859365318476
Energy: 0.8634436096901438
Energy: 0.8885866707926049
Energy: 0.8634436096901438
Energy: 1.5084816328988755
Energy: 0.9059746058426209
Energy: 0.8646884370313523
Energy: 0.9059746058426209
Energy: 1.5084816328967918
Energy: 0.9059746058426209
Energy: 0.8902415235496893
Energy: 0.8633668769744874
Energy: 0.8667980975550149
Energy: 0.8633668769744874
Energy: 0.8902415235496893
Energy: 0.8633668769744874
Energy: 1.5154995635765973
Energy: 0.8631779049110735
Energy: 0.8645940494364314
Energy: 0.8631779049110735
Energy: 1.515499563578681
Energy: 0.8631779049110735
Energy: 0.890323451841231
Energy: 1.0969374342801441
Energy: 1.4915981246404266
Energy: 1.0969374342801441
Energy: 0.890323451841231
Energy: 1.0969374342801441
Energy: 1.5155012399598167
Energy: 0.8631921921449511
Energy: 0.8645884324528874
Energy: 0.8631921921449511
Energy: 1.5155012399598167
Energy: 0.8631921921449511
Energy: 0.8902331717808921
Energy: 0.8632519393036973
Energy: 0.8667998363366092
Energy: 0.8632519393036973
Energy: 0.8902331717808921
Energy: 0.8632519393036973

minimum gb energy = 0.8629060016628318 eV
minimum distance =  2.35507090138301 Angstroms
sigma value = 11


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

Energy: 1.511946396149935
Energy: 1.1888030233826492
Energy: 1.5869536908996653
Energy: 1.1888030233817342
Energy: 1.511946396149935
Energy: 1.1888030233826492
Energy: 1.1256983059866612
Energy: 1.1511687768811225
Energy: 1.124571224158227
Energy: 1.151168776882038
Energy: 1.125698305983
Energy: 1.1511687768811225
Energy: 1.125054379735873
Energy: 1.228325986647359
Energy: 1.124963964437737
Energy: 1.228325986648274
Energy: 1.125054379735873
Energy: 1.228325986648274
Energy: 1.1508239642992393
Energy: 1.151371944147964
Energy: 1.1245806389476307
Energy: 1.1513719441488794
Energy: 1.1508239642992393
Energy: 1.151371944147964
Energy: 1.1246970482276435
Energy: 1.2232757659986615
Energy: 1.1508013537080848
Energy: 1.2232757659986615
Energy: 1.124697048228559
Energy: 1.2232757659986615
Energy: 1.1584468156694039
Energy: 1.2120727587843183
Energy: 1.1245683071776462
Energy: 1.2120727587843183
Energy: 1.1584468156694039
Energy: 1.212072758783403
Energy: 1.1509159551632246
Energy: 1.223993806889704
Energy: 1.1546766564386193
Energy: 1.223993806889704
Energy: 1.1509159551632246
Energy: 1.223993806889704
Energy: 1.1259810551507838
Energy: 1.1523506165963948
Energy: 1.1246617771687433
Energy: 1.1523506165963948
Energy: 1.1259810551507838
Energy: 1.1523506165963948
Energy: 1.125653717287088
Energy: 1.236364141246556
Energy: 1.1243270605966902
Energy: 1.236364141246556
Energy: 1.125653717287088
Energy: 1.236364141246556
Energy: 1.1242809741510646
Energy: 1.1511843399356831
Energy: 1.1511974377680376
Energy: 1.1511843399356831
Energy: 1.1242809741510646
Energy: 1.1511843399365986
Energy: 1.140104551017113
Energy: 1.124685482278483
Energy: 1.155649123267343
Energy: 1.1246854822775676
Energy: 1.140104551017113
Energy: 1.1246854822775676
Energy: 1.1259205882463175
Energy: 1.2122600508619006
Energy: 1.1554301229677737
Energy: 1.2122600508628159
Energy: 1.1259205882463175
Energy: 1.2122600508619006
Energy: 1.124809530157832
Energy: 1.1512806816281418
Energy: 1.3102717142022295
Energy: 1.1512806816281418
Energy: 1.124809530157832
Energy: 1.1512806816281418
Energy: 1.1519478916317825
Energy: 1.238287213157937
Energy: 1.1519083958105665
Energy: 1.238287213157937
Energy: 1.1519478916308674
Energy: 1.238287213157937
Energy: 1.1244974976187974
Energy: 1.467426500994904
Energy: 1.127091493415561
Energy: 1.467426500994904
Energy: 1.1244974976197128
Energy: 1.467426500994904
Energy: 1.1539113283825522
Energy: 1.1291475425805244
Energy: 1.1547253514795532
Energy: 1.1291475425796094
Energy: 1.1539113283825522
Energy: 1.1291475425796094
Energy: 1.1547488079977684
Energy: 1.2224545732356056
Energy: 1.125205364593297
Energy: 1.2224545732346905
Energy: 1.1547488079977684
Energy: 1.2224545732328596
Energy: 1.1246052131514956
Energy: 1.4675776865790227
Energy: 1.1241978259245506
Energy: 1.4675776865781074
Energy: 1.1246052131514956
Energy: 1.4675776865790227
Energy: 1.1510848187064608
Energy: 1.151422863143643
Energy: 1.1513414081765492
Energy: 1.151422863143643
Energy: 1.1510848187064608
Energy: 1.151422863143643
Energy: 1.1245464953440492
Energy: 1.151490512840474
Energy: 1.1270716790262167
Energy: 1.151490512840474
Energy: 1.1245464953440492
Energy: 1.151490512841389
Energy: 1.1553285504000308
Energy: 1.2119618033300479
Energy: 1.1251554193694695
Energy: 1.2119618033300479
Energy: 1.1553285504000308
Energy: 1.2119618033300479
Energy: 1.1554658512774096
Energy: 1.1252735645366896
Energy: 1.1519056806957606
Energy: 1.1252735645376046
Energy: 1.1554658512774096
Energy: 1.1252735645366896
Energy: 1.2921973157057942
Energy: 1.1512114949903562
Energy: 1.1604940655617617
Energy: 1.1512114949894408
Energy: 1.2921973157057942
Energy: 1.1512114949903562
Energy: 1.1244485573450802
Energy: 1.236351870909904
Energy: 1.125142654032774
Energy: 1.236351870909904
Energy: 1.1244485573459955
Energy: 1.236351870909904
Energy: 1.1272165938875052
Energy: 1.1888930965862312
Energy: 1.1249505824567307
Energy: 1.1888930965862312
Energy: 1.1272165938875052
Energy: 1.1888930965862312
Energy: 1.1548609313127158
Energy: 1.2228417774934328
Energy: 1.1508605744974565
Energy: 1.2228417774934328
Energy: 1.1548609313127158
Energy: 1.2228417774934328
Energy: 1.1247525481689418
Energy: 1.212089196204851
Energy: 1.124751864265919
Energy: 1.212089196204851
Energy: 1.1247525481680263
Energy: 1.212089196204851
Energy: 1.1508739089530586
Energy: 1.222723571630334
Energy: 1.1587111582749907
Energy: 1.2227235716294185
Energy: 1.1508739089530586
Energy: 1.2227235716294185
Energy: 1.1250939594914087
Energy: 1.1521298041058983
Energy: 1.1508832038731454
Energy: 1.1521298041068133
Energy: 1.1250939594914087
Energy: 1.1521298041058983
Energy: 1.124461954260549
Energy: 1.1520677207517083
Energy: 1.1261899035242446
Energy: 1.1520677207517083
Energy: 1.1244619542614644
Energy: 1.1520677207517083
Energy: 1.124388033436494
Energy: 1.1511980361484146
Energy: 1.1261173634077235
Energy: 1.1511980361484146
Energy: 1.124388033436494
Energy: 1.1511980361493301

minimum gb energy = 1.1241978259245506 eV
minimum distance =  2.24360790287759 Angstroms
sigma value = 57


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

Energy: 1.263306898555215
Energy: 1.263715666810511
Energy: 1.545329168305943
Energy: 1.263715666808882
Energy: 1.263306898555215
Energy: 1.263715666810511
Energy: 1.2086557921603267
Energy: 1.3121271305722313
Energy: 1.2081005256138921
Energy: 1.2093580440474134
Energy: 1.2086557921603267
Energy: 1.2593208759274144
Energy: 1.2026561703090768
Energy: 1.3309044140555202
Energy: 1.2081058706296997
Energy: 1.3309044140555202
Energy: 1.2026561703090768
Energy: 1.3309044140555202
Energy: 1.2084038598468931
Energy: 1.3412183485022102
Energy: 1.2084162825716576
Energy: 1.2839706315571942
Energy: 1.2084038598468931
Energy: 1.3412183485005815
Energy: 1.2081180863838359
Energy: 1.330881873453184
Energy: 1.2022802964151762
Energy: 1.330881873453184
Energy: 1.2081180863838359
Energy: 1.330881873453184
Energy: 1.208057098819884
Energy: 1.209439642370741
Energy: 1.208683300103941
Energy: 1.209439642370741
Energy: 1.208057098819884
Energy: 1.209439642370741
Energy: 1.4508013531670338
Energy: 1.263715666810511
Energy: 1.263306898555215
Energy: 1.263715666810511
Energy: 1.4508013531670338
Energy: 1.2637156668121396
Energy: 1.2081005256138921
Energy: 1.3121271305722313
Energy: 1.2086557921603267
Energy: 1.3121271305722313
Energy: 1.2081005256138921
Energy: 1.3121271305722313
Energy: 1.2081058706296997
Energy: 1.3309044140555202
Energy: 1.2026561703090768
Energy: 1.3309044140555202
Energy: 1.2081058706296997
Energy: 1.3309044140555202
Energy: 1.2084162825716576
Energy: 1.3412183485005815
Energy: 1.2084038598468931
Energy: 1.3412183484989526
Energy: 1.2084162825716576
Energy: 1.4635689548463933
Energy: 1.2022802964151762
Energy: 1.330881873453184
Energy: 1.2081180863838359
Energy: 1.330881873453184
Energy: 1.2022802964151762
Energy: 1.330881873453184
Energy: 1.208683300103941
Energy: 1.209439642370741
Energy: 1.208057098819884
Energy: 1.209439642370741
Energy: 1.208683300103941
Energy: 1.209439642370741
Energy: 1.263306898555215
Energy: 1.263715666810511
Energy: 1.3644200291261603
Energy: 1.263715666810511
Energy: 1.263306898555215
Energy: 1.2637156668121396
Energy: 1.2086557921603267
Energy: 1.2593208759257857
Energy: 1.2081005256138921
Energy: 1.2593208759257857
Energy: 1.2086557921603267
Energy: 1.2593208759257857
Energy: 1.2026561703090768
Energy: 1.3309044140555202
Energy: 1.2081058706296997
Energy: 1.3309044140555202
Energy: 1.2026561703090768
Energy: 1.3309044140555202
Energy: 1.2084038598468931
Energy: 1.3412183484956948
Energy: 1.2084162825716576
Energy: 1.3412183484973237
Energy: 1.2084038598468931
Energy: 1.3412183484924372
Energy: 1.2081180863838359
Energy: 1.330881873453184
Energy: 1.2022802964151762
Energy: 1.330881873453184
Energy: 1.2081180863838359
Energy: 1.330881873453184

minimum gb energy = 1.2022802964151762 eV
minimum distance =  2.25789970107212 Angstroms
sigma value = 9


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

Energy: 1.3146082094496694
Energy: 1.306798136096287
Energy: 1.424909776155132
Energy: 1.306798136097617
Energy: 1.3146082094496694
Energy: 1.306798136096287
Energy: 1.277122639118367
Energy: 1.3503922165402786
Energy: 1.3047604443122818
Energy: 1.3503922165389484
Energy: 1.277122639118367
Energy: 1.3503922165389484
Energy: 1.316978352531526
Energy: 1.3357963388020246
Energy: 1.307029781979328
Energy: 1.3357963388020246
Energy: 1.316978352531526
Energy: 1.3357963388020246
Energy: 1.3168630002148463
Energy: 1.3225848660655513
Energy: 1.2836488997744078
Energy: 1.3225848660655513
Energy: 1.3168630002148463
Energy: 1.3225848660668813
Energy: 1.277561627495416
Energy: 1.4168923725795577
Energy: 1.3072680806581571
Energy: 1.4168923725822176
Energy: 1.277561627495416
Energy: 1.4168923725808875
Energy: 1.3170786850114904
Energy: 1.3199506919915973
Energy: 1.3369386646876784
Energy: 1.3199506919915973
Energy: 1.3170786850114904
Energy: 1.3199506919902673
Energy: 1.3184350385911834
Energy: 1.4631880801520343
Energy: 1.3073894055532942
Energy: 1.4631880801493742
Energy: 1.3184350385911834
Energy: 1.4631880801507042
Energy: 1.2946779097232535
Energy: 1.3483373626519728
Energy: 1.304639624907395
Energy: 1.3483373626519728
Energy: 1.2946779097232535
Energy: 1.3483373626519728
Energy: 1.2923107690800173
Energy: 1.4584853846870232
Energy: 1.2847436002236954
Energy: 1.458485384685693
Energy: 1.2923107690800173
Energy: 1.458485384685693
Energy: 1.353168566482652
Energy: 1.5697484131809576
Energy: 1.3052244024037445
Energy: 1.5697484131796278
Energy: 1.353168566482652
Energy: 1.5697484131796278
Energy: 1.3193132237186667
Energy: 1.364117233493099
Energy: 1.2832763846384359
Energy: 1.364117233491769
Energy: 1.3193132237186667
Energy: 1.364117233491769
Energy: 1.3165800452398417
Energy: 1.319177277309946
Energy: 1.2974254120213817
Energy: 1.319177277309946
Energy: 1.3165800452398417
Energy: 1.319177277309946
Energy: 1.3189959537834246
Energy: 1.3178690291098722
Energy: 1.313325663550525
Energy: 1.3178690291098722
Energy: 1.3189959537834246
Energy: 1.3178690291098722
Energy: 1.316804245369899
Energy: 1.3178066771388466
Energy: 1.283686397147765
Energy: 1.3178066771401766
Energy: 1.316804245371229
Energy: 1.3178066771388466
Energy: 1.3482811043255458
Energy: 1.4627810715440996
Energy: 1.3218569944699952
Energy: 1.46278107154144
Energy: 1.3482811043255458
Energy: 1.4627810715427698
Energy: 1.2922498411260361
Energy: 1.3515397951736445
Energy: 1.2835612281017346
Energy: 1.3515397951749746
Energy: 1.2922498411260361
Energy: 1.3515397951749746
Energy: 1.2926183459318712
Energy: 1.3494942213654018
Energy: 1.2984091686061023
Energy: 1.3494942213654018
Energy: 1.2926183459318712
Energy: 1.3494942213667016
Energy: 1.3686241187418007
Energy: 1.462618925079793
Energy: 1.3050412230050878
Energy: 1.462618925079793
Energy: 1.3686241187418007
Energy: 1.4626189250811228
Energy: 1.319803270826115
Energy: 1.3187614760367383
Energy: 1.3116601647208912
Energy: 1.318761476035408
Energy: 1.319803270826115
Energy: 1.318761476035408
Energy: 1.3167426060767284
Energy: 1.4670090462445213
Energy: 1.3057971066650027
Energy: 1.4670090462431915
Energy: 1.3167426060767284
Energy: 1.4670090462431915
Energy: 1.319481106033925
Energy: 1.3186359542543558
Energy: 1.2944194092170016
Energy: 1.318635954253026
Energy: 1.3194811060325953
Energy: 1.3186359542516959

minimum gb energy = 1.277122639118367 eV
minimum distance =  2.25100965348962 Angstroms
sigma value = 27


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

Energy: 1.4251361666796296
Energy: 1.281933917528951
Energy: 1.3294935739032356
Energy: 1.281933917528951
Energy: 1.4251361666796296
Energy: 1.281933917528951
Energy: 1.2667450069278319
Energy: 1.2655039857529011
Energy: 1.2665644158166287
Energy: 1.2655039857529011
Energy: 1.2667450069278319
Energy: 1.2655039857529011
Energy: 1.279685674012941
Energy: 1.2802975458540455
Energy: 1.2675638359284978
Energy: 1.2802975458529244
Energy: 1.279685674012941
Energy: 1.2802975458529244
Energy: 1.268888686768483
Energy: 1.438340512244056
Energy: 1.2803295676000168
Energy: 1.438340512244056
Energy: 1.268888686768483
Energy: 1.438340512244056
Energy: 1.2676798630074562
Energy: 1.5116572731297768
Energy: 1.267075211147363
Energy: 1.511657273130898
Energy: 1.2676798630074562
Energy: 1.511657273130898
Energy: 1.2829184492103864
Energy: 1.2801391609251747
Energy: 1.2812361753491794
Energy: 1.2801391609251747
Energy: 1.2829184492103864
Energy: 1.2801391609262958
Energy: 1.2690958344684156
Energy: 1.4460568480359584
Energy: 1.266657903134238
Energy: 1.4460568480359584
Energy: 1.2690958344684156
Energy: 1.4460568480359584
Energy: 1.2663238351023354
Energy: 1.3838342605828309
Energy: 1.2663143496585303
Energy: 1.3838342605828309
Energy: 1.2663238351034567
Energy: 1.3838342605828309
Energy: 1.3726830049552885
Energy: 1.430435999329833
Energy: 1.346555069608837
Energy: 1.4304359993309541
Energy: 1.3726830049552885
Energy: 1.430435999329833
Energy: 1.266148232962142
Energy: 1.2679519098807195
Energy: 1.3141248128911078
Energy: 1.2679519098807195
Energy: 1.266148232962142
Energy: 1.2679519098807195
Energy: 1.266138690478355
Energy: 1.2683948209447402
Energy: 1.3141585006316352
Energy: 1.268394820943619
Energy: 1.266138690478355
Energy: 1.2683948209447402
Energy: 1.3726348184343993
Energy: 1.4304287772107827
Energy: 1.3465459625485798
Energy: 1.4304287772107827
Energy: 1.3726348184343993
Energy: 1.4304287772107827
Energy: 1.2662856780245204
Energy: 1.3842815775916468
Energy: 1.2667432687769238
Energy: 1.3842815775905255
Energy: 1.2662856780245204
Energy: 1.3842815775905255
Energy: 1.2688357085952395
Energy: 1.4458916863475708
Energy: 1.2664914218103167
Energy: 1.4458916863475708
Energy: 1.2688357085952395
Energy: 1.4458916863475708
Energy: 1.2830888380867131
Energy: 1.2801060754127818
Energy: 1.2814859300930148
Energy: 1.2801060754127818
Energy: 1.2830888380867131
Energy: 1.2801060754127818
Energy: 1.2676876824835854
Energy: 1.5116572731297768
Energy: 1.2673055941717855
Energy: 1.5116572731297768
Energy: 1.2676876824835854
Energy: 1.511657273130898
Energy: 1.2691077566506859
Energy: 1.4383460024144867
Energy: 1.2670777005514602
Energy: 1.4383460024133659
Energy: 1.2691077566506859
Energy: 1.4383460024144867
Energy: 1.2797202241761714
Energy: 1.280707946601412
Energy: 1.2677424415908198
Energy: 1.2807079466002909
Energy: 1.2797202241761714
Energy: 1.2807079466002909
Energy: 1.2674546391573445
Energy: 1.2653999378256193
Energy: 1.2672617753722144
Energy: 1.2653999378256193
Energy: 1.2674546391573445
Energy: 1.2653999378256193
Energy: 1.4251361666796296
Energy: 1.281933917528951
Energy: 1.3746569549191336
Energy: 1.281933917528951
Energy: 1.4251361666796296
Energy: 1.2819339175278297
Energy: 1.2667450069278319
Energy: 1.2655039857529011
Energy: 1.2665644158166287
Energy: 1.2655039857529011
Energy: 1.2667450069278319
Energy: 1.2655039857529011
Energy: 1.279685674012941
Energy: 1.2802975458529244
Energy: 1.2675638359284978
Energy: 1.2802975458529244
Energy: 1.279685674012941
Energy: 1.2802975458529244
Energy: 1.268888686768483
Energy: 1.438340512244056
Energy: 1.2803295676000168
Energy: 1.438340512244056
Energy: 1.268888686768483
Energy: 1.438340512244056
Energy: 1.2676798630074562
Energy: 1.511657273130898
Energy: 1.2670752111462418
Energy: 1.511657273130898
Energy: 1.2676798630063353
Energy: 1.511657273130898
Energy: 1.2829184492103864
Energy: 1.2801391609262958
Energy: 1.2812361753503003
Energy: 1.2801391609262958
Energy: 1.2829184492103864
Energy: 1.2801391609251747

minimum gb energy = 1.2653999378256193 eV
minimum distance =  2.28167839478604 Angstroms
sigma value = 19


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

Energy: 1.4065562039889556
Energy: 1.2426946927353726
Energy: 1.393186659156627
Energy: 1.2426946927363403
Energy: 1.4065562039889556
Energy: 1.2426946927363403
Energy: 1.2514795732659505
Energy: 1.384516334824453
Energy: 1.2264687485631143
Energy: 1.3845163348254208
Energy: 1.2514795732659505
Energy: 1.3845163348254208
Energy: 1.243680869483113
Energy: 1.4204577624653016
Energy: 1.2266518695879622
Energy: 1.4204577624662689
Energy: 1.243680869483113
Energy: 1.4204577624662689
Energy: 1.2515100857573784
Energy: 1.4498289930747785
Energy: 1.2745828011381908
Energy: 1.449828993073811
Energy: 1.2515100857573784
Energy: 1.4498289930747785
Energy: 1.2514594658025338
Energy: 1.3669186172490428
Energy: 1.2819766658893568
Energy: 1.3669186172500105
Energy: 1.2514594658025338
Energy: 1.3669186172490428
Energy: 1.2455520893326057
Energy: 1.3938779894611177
Energy: 1.2793556624309619
Energy: 1.39387798946015
Energy: 1.2455520893326057
Energy: 1.39387798946015
Energy: 1.2518958024647076
Energy: 1.4645491635216255
Energy: 1.2809380155860357
Energy: 1.4645491635216255
Energy: 1.2518958024647076
Energy: 1.4645491635216255
Energy: 1.262227354544424
Energy: 1.393712616401772
Energy: 1.2793278688969278
Energy: 1.3937126164008042
Energy: 1.262227354544424
Energy: 1.3937126164008042
Energy: 1.251935725118903
Energy: 1.4308230600489162
Energy: 1.3169494766035394
Energy: 1.4308230600508518
Energy: 1.251935725118903
Energy: 1.4308230600508518
Energy: 1.2715314176087262
Energy: 1.32305818415588
Energy: 1.226317658038697
Energy: 1.32305818415588
Energy: 1.2715314176087262
Energy: 1.32305818415588
Energy: 1.2622824949933702
Energy: 1.4212375151036067
Energy: 1.2641259396493594
Energy: 1.4212375151045744
Energy: 1.2622824949933702
Energy: 1.4212375151045744
Energy: 1.2669514897674452
Energy: 1.2283739429472373
Energy: 1.2278704058265837
Energy: 1.2283739429472373
Energy: 1.2669514897674452
Energy: 1.2283739429472373
Energy: 1.266658646825459
Energy: 1.3310955011738326
Energy: 1.2276715079363014
Energy: 1.3310955011738326
Energy: 1.266658646825459
Energy: 1.3310955011748
Energy: 1.2450246157718245
Energy: 1.4205452971590817
Energy: 1.2915783077940857
Energy: 1.4205452971581138
Energy: 1.2450246157718245
Energy: 1.4205452971590817
Energy: 1.273335484255148
Energy: 1.430988198586735
Energy: 1.2266614415644024
Energy: 1.4309881985877024
Energy: 1.273335484255148
Energy: 1.4309881985877024
Energy: 1.2714574504213083
Energy: 1.393357963044509
Energy: 1.2286557869982855
Energy: 1.3933579630435413
Energy: 1.2714574504213083
Energy: 1.3933579630435413
Energy: 1.2428154535644642
Energy: 1.3932113313669057
Energy: 1.2281859484495048
Energy: 1.3932113313678733
Energy: 1.2428154535644642
Energy: 1.3932113313678733
Energy: 1.271576887872547
Energy: 1.3186537932030271
Energy: 1.226562817931756
Energy: 1.3186537932020594
Energy: 1.271576887872547
Energy: 1.3186537932020594
Energy: 1.2428337369134435
Energy: 1.3932192421703993
Energy: 1.228168317848276
Energy: 1.3932192421703993
Energy: 1.2428337369134435
Energy: 1.3932192421703993
Energy: 1.2715405261183272
Energy: 1.3933651728504772
Energy: 1.2286467140470512
Energy: 1.393365172851445
Energy: 1.2715405261183272
Energy: 1.393365172851445
Energy: 1.2733262647013561
Energy: 1.4310131085407891
Energy: 1.226656224233945
Energy: 1.431013108541757
Energy: 1.2733262647013561
Energy: 1.4310131085427247
Energy: 1.2450236315599934
Energy: 1.4205307109639131
Energy: 1.2915321413090728
Energy: 1.4205307109629453
Energy: 1.2450236315599934
Energy: 1.4205307109629453
Energy: 1.2666783526811383
Energy: 1.3318749280723075
Energy: 1.2276745683302
Energy: 1.3318749280723075
Energy: 1.2666783526811383
Energy: 1.3318749280723075
Energy: 1.2667898285333181
Energy: 1.2284575739523034
Energy: 1.2278517206744817
Energy: 1.2284575739513355
Energy: 1.2667898285333181
Energy: 1.2284575739513355
Energy: 1.2622904674731383
Energy: 1.4211429350523699
Energy: 1.264678125379459
Energy: 1.4211429350543054
Energy: 1.2622904674731383
Energy: 1.4211429350543054
Energy: 1.271519526742752
Energy: 1.3230403540420634
Energy: 1.22642952930332
Energy: 1.3230403540420634
Energy: 1.271519526742752
Energy: 1.3230403540420634
Energy: 1.252629252709454
Energy: 1.430821592160362
Energy: 1.2841104681170745
Energy: 1.4308215921593943
Energy: 1.2526292527084864
Energy: 1.4308215921593943
Energy: 1.2622593413857055
Energy: 1.3937206255648222
Energy: 1.2792493682880164
Energy: 1.3937206255648222
Energy: 1.2622593413847376
Energy: 1.3937206255648222
Energy: 1.2519768826587143
Energy: 1.4645491635206576
Energy: 1.2809308066264429
Energy: 1.4645491635225931
Energy: 1.2519768826587143
Energy: 1.4645491635225931

minimum gb energy = 1.226317658038697 eV
minimum distance =  2.24735155573009 Angstroms
sigma value = 101


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

Energy: 1.3743269322758986
Energy: 1.2844899880244935
Energy: 1.2638854151254273
Energy: 1.284489988025344
Energy: 1.3743269322750482
Energy: 1.284489988025344
Energy: 1.2187159609765648
Energy: 1.206176487521001
Energy: 1.2187555675148891
Energy: 1.206176487521001
Energy: 1.2187159609774152
Energy: 1.206176487521001
Energy: 1.2068310334057832
Energy: 1.1942163588377683
Energy: 1.2191051501536587
Energy: 1.1942163588377683
Energy: 1.2068310334057832
Energy: 1.1942163588386188
Energy: 1.2289045080001815
Energy: 1.3715004731572413
Energy: 1.227316521199893
Energy: 1.2071645108083593
Energy: 1.2289045080001815
Energy: 1.3715004731580922
Energy: 1.1938764020540917
Energy: 1.290675212994229
Energy: 1.2070497234508923
Energy: 1.290675212993378
Energy: 1.1938764020540917
Energy: 1.290675212993378
Energy: 1.2077476748843896
Energy: 1.3845132670476539
Energy: 1.1945791313824021
Energy: 1.3845132670476539
Energy: 1.2077476748843896
Energy: 1.3845132670476539
Energy: 1.2172549468872271
Energy: 1.4257258068287395
Energy: 1.1938184585568612
Energy: 1.4257258068295904
Energy: 1.2172549468872271
Energy: 1.4257258068287395
Energy: 1.2061366018873145
Energy: 1.4279708147894794
Energy: 1.2085953983753137
Energy: 1.4120151000862824
Energy: 1.2061366018873145
Energy: 1.4279708147894794
Energy: 1.1937019418880666
Energy: 1.3831638956132601
Energy: 1.2072252445998064
Energy: 1.3831638956132601
Energy: 1.1937019418880666
Energy: 1.3831638956132601
Energy: 1.1930688303229653
Energy: 1.3254845424178912
Energy: 1.1949017628337915
Energy: 1.3254845424187416
Energy: 1.1930688303229653
Energy: 1.3254845424187416
Energy: 1.2476011591754024
Energy: 1.3690263163490464
Energy: 1.2756417447617376
Energy: 1.369026316348196
Energy: 1.2476011591754024
Energy: 1.369026316348196
Energy: 1.2187200188866782
Energy: 1.195252452991482
Energy: 1.1944602116168728
Energy: 1.195252452991482
Energy: 1.2187200188866782
Energy: 1.195252452991482
Energy: 1.2191267230381198
Energy: 1.1944112734714045
Energy: 1.2125837419985692
Energy: 1.1944112734739565
Energy: 1.2191267230381198
Energy: 1.1944112734688526
Energy: 1.225309739560428
Energy: 1.2293612445998034
Energy: 1.2193954603104469
Energy: 1.2080209343870825
Energy: 1.225309739560428
Energy: 1.2136845515134358
Energy: 1.2023763170569641
Energy: 1.294606920838171
Energy: 1.2184683685536586
Energy: 1.294606920838171
Energy: 1.2023763170569641
Energy: 1.294606920838171
Energy: 1.2507215428294807
Energy: 1.2089190301858648
Energy: 1.2065455894033066
Energy: 1.2089190301858648
Energy: 1.2507215428294807
Energy: 1.2089190301858648
Energy: 1.1936944420733044
Energy: 1.206688359368985
Energy: 1.1934277883627782
Energy: 1.206688359368985
Energy: 1.1936944420733044
Energy: 1.206688359368985
Energy: 1.2080881805567882
Energy: 1.2063253061220423
Energy: 1.1932049561060718
Energy: 1.2063253061220423
Energy: 1.2080881805567882
Energy: 1.2063253061220423
Energy: 1.2073701228474694
Energy: 1.377685144188591
Energy: 1.206250511943518
Energy: 1.377685144188591
Energy: 1.2073701228474694
Energy: 1.377685144188591
Energy: 1.193486476840888
Energy: 1.2598117750906666
Energy: 1.1930770015933712
Energy: 1.2598117750906666
Energy: 1.193486476840888
Energy: 1.2598117750906666
Energy: 1.2216840977143248
Energy: 1.2226827120392327
Energy: 1.20668927632421
Energy: 1.2226827120400834
Energy: 1.2216840977143248
Energy: 1.2226827120400834
Energy: 1.1944253073335371
Energy: 1.3779108053961322
Energy: 1.1930885214396594
Energy: 1.3779108053969829
Energy: 1.1944253073335371
Energy: 1.3779108053969829
Energy: 1.2064258158736434
Energy: 1.3766382417751746
Energy: 1.1937296070147634
Energy: 1.3766382417751746
Energy: 1.2064258158736434
Energy: 1.3766382417743623
Energy: 1.2289080103861125
Energy: 1.309767649912493
Energy: 1.2601781453872545
Energy: 1.2068372134279857
Energy: 1.2289080103861125
Energy: 1.3097676499133435
Energy: 1.1937754675664862
Energy: 1.28687303414906
Energy: 1.2039121509084922
Energy: 1.2868730341482095
Energy: 1.1937754675664862
Energy: 1.2868730341482095
Energy: 1.2125647466050438
Energy: 1.1949454012155512
Energy: 1.250841889177762
Energy: 1.1949454012155512
Energy: 1.2125647466050438
Energy: 1.1949454012155512
Energy: 1.219068916347307
Energy: 1.193901462528085
Energy: 1.1934263716473594
Energy: 1.1939014625289357
Energy: 1.219068916347307
Energy: 1.193901462528085
Energy: 1.2186596475635587
Energy: 1.1935738252709822
Energy: 1.1956312986381317
Energy: 1.1935738252701316
Energy: 1.2186596475635587
Energy: 1.1935738252718326
Energy: 1.2648109503581029
Energy: 1.2148539313677575
Energy: 1.2993577267546699
Energy: 1.2148539313686082
Energy: 1.2648109503581029
Energy: 1.2148539313694589
Energy: 1.193143106128902
Energy: 1.198043511928696
Energy: 1.1954959380994792
Energy: 1.1980435119295467
Energy: 1.193143106128902
Energy: 1.198043511928696
Energy: 1.193501990852699
Energy: 1.222584032528281
Energy: 1.206241069252278
Energy: 1.222584032528281
Energy: 1.193501990852699
Energy: 1.222584032528281
Energy: 1.2144447874041358
Energy: 1.3770501846606849
Energy: 1.1945250598502077
Energy: 1.3770501846606849
Energy: 1.2144447874041358
Energy: 1.3770501846606849
Energy: 1.1936486633003986
Energy: 1.2574275530983532
Energy: 1.2065640953256993
Energy: 1.257427553099204
Energy: 1.1936486633003986
Energy: 1.257427553099204

minimum gb energy = 1.1930688303229653 eV
minimum distance =  2.26262647813997 Angstroms
sigma value = 33


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

Energy: 0.014950600426419642
Energy: 0.015606369592336232
Energy: 1.3319291501730928
Energy: 0.015606369593003742
Energy: 0.014950600426419642
Energy: 0.015606369593003742
Energy: 0.015169684366609168
Energy: 0.6811033144150141
Energy: 0.015169684366609168
Energy: 0.6811033144150141
Energy: 0.015169684366609168
Energy: 0.6811033144156817
Energy: 1.4752275725375297
Energy: 0.015606369592336232
Energy: 0.014950600426419642
Energy: 0.015606369593003742
Energy: 1.4752275725375297
Energy: 0.015606369593003742
Energy: 0.015169684366609168
Energy: 0.6811033144156817
Energy: 0.015169684366609168
Energy: 0.6811033144156817
Energy: 0.015169684366609168
Energy: 0.6811033144156817

minimum gb energy = 0.014950600426419642 eV
minimum distance =  2.4580280620345 Angstroms
sigma value = 1