Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_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=2.863645769655704
cohesive_energy=4.290547094706671
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: 0.013215405675366847
Energy: 0.013778709424382064
Energy: 0.5542286877618903
Energy: 0.013778709424382064
Energy: 0.013215405675366847
Energy: 0.013778709424382064
Energy: 0.013778709424382064
Energy: 2.9248878645440928
Energy: 0.013778709424382064
Energy: 2.552977884961689
Energy: 0.013778709424382064
Energy: 2.552977884961689
Energy: 0.5542286877618903
Energy: 0.013778709424382064
Energy: 0.013215405674867082
Energy: 0.013778709423910062
Energy: 0.5542286877618903
Energy: 0.013778709424382064
Energy: 0.013778709424382064
Energy: 2.552977884961689
Energy: 0.013778709423910062
Energy: 2.552977884961689
Energy: 0.013778709424382064
Energy: 2.9248878645445924
Energy: 0.013215405674867082
Energy: 0.013778709424382064
Energy: 0.5542286877618903
Energy: 0.013778709424382064
Energy: 0.013215405675366847
Energy: 0.013778709424382064
Energy: 0.013778709424382064
Energy: 2.552977884961689
Energy: 0.013778709423910062
Energy: 2.9248878645445924
Energy: 0.013778709424382064
Energy: 2.552977884961689

minimum gb energy = 0.013215405674867082 eV
minimum distance =  2.39144345322113 Angstroms
sigma value = 1


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

Energy: 1.2973476510168673
Energy: 1.2738052962932307
Energy: 1.271438305146956
Energy: 1.2738052962944337
Energy: 1.2973476510168673
Energy: 1.2738052962944337
Energy: 1.2580888264722843
Energy: 1.2533667563805317
Energy: 1.2042252856178906
Energy: 1.2533667563793285
Energy: 1.2580888264722843
Energy: 1.2533667563793285
Energy: 1.2125419025422013
Energy: 1.2531258100062275
Energy: 1.290346664461513
Energy: 1.2531258100062275
Energy: 1.2125419025422013
Energy: 1.2531258100062275
Energy: 1.3609057654583625
Energy: 1.2338082807320438
Energy: 1.2105216022421121
Energy: 1.2338082807320438
Energy: 1.3609057654583625
Energy: 1.2338082807320438
Energy: 1.3203361961155025
Energy: 1.274537666224753
Energy: 1.2573639585311702
Energy: 1.2745376662235501
Energy: 1.3203361961155025
Energy: 1.2745376662235501
Energy: 1.2903394517413918
Energy: 1.2526222055836889
Energy: 1.2199189683885685
Energy: 1.2526222055836889
Energy: 1.2903394517413918
Energy: 1.2526222055836889
Energy: 1.2904590542017602
Energy: 1.2528332987703406
Energy: 1.2159664593390678
Energy: 1.2528332987715434
Energy: 1.2904590542017602
Energy: 1.2528332987715434
Energy: 1.3483073939081331
Energy: 1.2744527673522987
Energy: 1.1996551767278374
Energy: 1.2744527673510957
Energy: 1.3483073939081331
Energy: 1.2744527673510957
Energy: 1.3575694989458669
Energy: 1.2338333364072247
Energy: 1.2089114945970032
Energy: 1.2338333364072247
Energy: 1.3575694989458669
Energy: 1.2338333364072247
Energy: 1.2928806676890956
Energy: 1.2530673533419303
Energy: 1.2197881160605848
Energy: 1.2530673533419303
Energy: 1.2928806676890956
Energy: 1.2530673533419303
Energy: 1.218200929287171
Energy: 1.2433016220216633
Energy: 1.2715127672358162
Energy: 1.2433016220204605
Energy: 1.218200929287171
Energy: 1.2433016220204605
Energy: 1.2012992359349308
Energy: 1.2742137032685235
Energy: 1.2012853172920663
Energy: 1.2742137032685235
Energy: 1.2012992359349308
Energy: 1.2742137032685235
Energy: 1.271304148123322
Energy: 1.2433016220216633
Energy: 1.2538197677739091
Energy: 1.2433016220216633
Energy: 1.271304148123322
Energy: 1.2433016220216633
Energy: 1.2197866605232475
Energy: 1.253069027864114
Energy: 1.2927982452138906
Energy: 1.253069027864114
Energy: 1.2197866605232475
Energy: 1.253069027864114
Energy: 1.2090831997626657
Energy: 1.233828621733495
Energy: 1.357608893841313
Energy: 1.233828621733495
Energy: 1.2090831997626657
Energy: 1.233828621733495
Energy: 1.1998231117775744
Energy: 1.2747821649795006
Energy: 1.3483397716058672
Energy: 1.2747821649782975
Energy: 1.1998231117775744
Energy: 1.2747821649782975
Energy: 1.2172787394848315
Energy: 1.253031016491861
Energy: 1.2900689494529156
Energy: 1.253031016491861
Energy: 1.2172787394848315
Energy: 1.253031016491861
Energy: 1.2200425285558747
Energy: 1.2526233972892038
Energy: 1.2904129709226277
Energy: 1.2526233972892038
Energy: 1.2200425285558747
Energy: 1.2526233972892038
Energy: 1.3282653544699363
Energy: 1.2745774807872614
Energy: 1.3203752166706382
Energy: 1.2745774807872614
Energy: 1.3282653544699363
Energy: 1.2745774807872614
Energy: 1.2105764528939047
Energy: 1.2338166243540227
Energy: 1.3609022559841366
Energy: 1.2338166243528195
Energy: 1.2105764528939047
Energy: 1.2338166243528195
Energy: 1.2903012193016357
Energy: 1.2531182827308998
Energy: 1.2125517383633737
Energy: 1.2531182827321028
Energy: 1.2903012193016357
Energy: 1.2531182827321028
Energy: 1.203766508728327
Energy: 1.253389120365169
Energy: 1.2582559251026977
Energy: 1.253389120365169
Energy: 1.20376650872953
Energy: 1.253389120365169
Energy: 1.297567169485415
Energy: 1.2738052962932307
Energy: 1.2973476510168673
Energy: 1.2738052962944337
Energy: 1.297567169485415
Energy: 1.2738052962944337

minimum gb energy = 1.1996551767278374 eV
minimum distance =  2.28706299293538 Angstroms
sigma value = 33


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

Energy: 1.8645884102092174
Energy: 1.3509089141352844
Energy: 1.3066595380546548
Energy: 1.3509089141346
Energy: 1.8645884102092174
Energy: 1.3509089141346
Energy: 1.3313824944916395
Energy: 1.3153317349381888
Energy: 1.2818590210296714
Energy: 1.3153317349381888
Energy: 1.3313824944916395
Energy: 1.3153317349375044
Energy: 1.262501955579608
Energy: 1.3417835116644494
Energy: 1.3842528113740658
Energy: 1.3417835116630812
Energy: 1.262501955579608
Energy: 1.3417835116630812
Energy: 1.3258078119234884
Energy: 1.3086016071582212
Energy: 1.4282883873556633
Energy: 1.3086016071568527
Energy: 1.3258078119234884
Energy: 1.3086016071575368
Energy: 1.3246819606172016
Energy: 1.3205946115311706
Energy: 1.3544554267499647
Energy: 1.3205946115311706
Energy: 1.3246819606172016
Energy: 1.320594611531855
Energy: 1.292260969026262
Energy: 1.3268655415212594
Energy: 1.2763057600420744
Energy: 1.3268655415219437
Energy: 1.2922609690269464
Energy: 1.3268655415219437
Energy: 1.2949213775048387
Energy: 1.3268742693938476
Energy: 1.3119234817793488
Energy: 1.3268742693965845
Energy: 1.2949213775041544
Energy: 1.3268742693965845
Energy: 1.290133574582044
Energy: 1.3258386323612503
Energy: 1.2791570458283972
Energy: 1.3258386323626186
Energy: 1.290133574582044
Energy: 1.3258386323619344
Energy: 1.2936768211083558
Energy: 1.3041093905430021
Energy: 1.2794800215060205
Energy: 1.3041093905430021
Energy: 1.29367682110904
Energy: 1.3041093905430021
Energy: 1.3186045166021134
Energy: 1.3419446175399394
Energy: 1.3245589034981389
Energy: 1.341944617541308
Energy: 1.3186045166021134
Energy: 1.341944617541308
Energy: 1.2775342500489217
Energy: 1.3957533847436734
Energy: 1.2933465564767075
Energy: 1.395753384742989
Energy: 1.2775342500482374
Energy: 1.395753384742989
Energy: 1.5054547514712593
Energy: 1.328390495022518
Energy: 1.3237636196480584
Energy: 1.3283904950218337
Energy: 1.5054547514712593
Energy: 1.3283904950218337
Energy: 1.431218725723748
Energy: 1.3105022068116334
Energy: 1.3038612333693416
Energy: 1.3105022068116334
Energy: 1.431218725723748
Energy: 1.3105022068116334
Energy: 1.2981729129602047
Energy: 1.341430935627273
Energy: 1.2914441646484842
Energy: 1.341430935626589
Energy: 1.2981729129602047
Energy: 1.341430935626589
Energy: 1.38421498420268
Energy: 1.3278817427981282
Energy: 1.3441879331520188
Energy: 1.3278817427994964
Energy: 1.38421498420268
Energy: 1.3278817427994964
Energy: 1.384581390477514
Energy: 1.327746369451421
Energy: 1.3113573905227898
Energy: 1.3277463694507368
Energy: 1.3845813904768298
Energy: 1.3277463694507368
Energy: 1.3942395849086069
Energy: 1.3215628632670342
Energy: 1.3243795951619017
Energy: 1.3215628632697713
Energy: 1.3942395849086069
Energy: 1.3215628632690868
Energy: 1.4176792858408642
Energy: 1.316480355919164
Energy: 1.4065563439209208
Energy: 1.3164803559171112
Energy: 1.4176792858408642
Energy: 1.3164803559171112
Energy: 1.2760339680593031
Energy: 1.3257573757663446
Energy: 1.2959173625765648
Energy: 1.325757375767029
Energy: 1.2760339680593031
Energy: 1.325757375767029
Energy: 1.2822235152113826
Energy: 1.30397830121038
Energy: 1.2940486185973565
Energy: 1.30397830121038
Energy: 1.2822235152113826
Energy: 1.30397830121038
Energy: 1.5044504200689965
Energy: 1.3520561078030082
Energy: 1.2923802979544843
Energy: 1.3520561078043767
Energy: 1.5044504200689965
Energy: 1.3520561078043767
Energy: 1.2984374850686877
Energy: 1.3196360928241269
Energy: 1.3243590232581735
Energy: 1.3196360928248108
Energy: 1.2984374850686877
Energy: 1.3196360928248108
Energy: 1.3241200024217261
Energy: 1.321506141667885
Energy: 1.429792649396015
Energy: 1.3215061416685694
Energy: 1.3241200024217261
Energy: 1.3215061416685694
Energy: 1.4539219421060658
Energy: 1.3156510764323248
Energy: 1.2821778243427182
Energy: 1.3156510764316405
Energy: 1.4539219421060658
Energy: 1.3156510764316405
Energy: 1.3437162910704852
Energy: 1.32919056049893
Energy: 1.3841185510556473
Energy: 1.3291905604982457
Energy: 1.3437162910698006
Energy: 1.3291905604982457
Energy: 1.3266132666421888
Energy: 1.3502308180846763
Energy: 1.2899330902708317
Energy: 1.3502308180846763
Energy: 1.3266132666462942
Energy: 1.3502308180846763
Energy: 1.3028952043179025
Energy: 1.3504874259911466
Energy: 1.3011036252434038
Energy: 1.3504874259911466
Energy: 1.3028952043083541
Energy: 1.3504874259911466
Energy: 1.3441688553545166
Energy: 1.329350264178107
Energy: 1.3841730218882908
Energy: 1.3293502641753698
Energy: 1.3441688553545166
Energy: 1.329350264176054
Energy: 1.4555250878040429
Energy: 1.3156992231063154
Energy: 1.282419402464979
Energy: 1.3156992231042628
Energy: 1.4555250878040429
Energy: 1.3156992231035785
Energy: 1.324047414969524
Energy: 1.3214016810758002
Energy: 1.3940426936088022
Energy: 1.32140168107241
Energy: 1.324047414969524
Energy: 1.32140168107241
Energy: 1.2768780824963517
Energy: 1.3196360928241269
Energy: 1.386250726354695
Energy: 1.3196360928241269
Energy: 1.276878082497036
Energy: 1.3196360928241269
Energy: 1.5045159861844932
Energy: 1.3519034783720119
Energy: 1.2762358274213421
Energy: 1.3519034783713275
Energy: 1.5045159861844932
Energy: 1.3519034783713275
Energy: 1.2825656499321827
Energy: 1.3040893335214074
Energy: 1.3860751147662924
Energy: 1.3040893335179862
Energy: 1.2825656499321827
Energy: 1.3040893335179862
Energy: 1.276052953531081
Energy: 1.3257779985132507
Energy: 1.321941245867232
Energy: 1.3257779985125666
Energy: 1.276052953531081
Energy: 1.3257779985125666
Energy: 1.3941863872790423
Energy: 1.3163779567884906
Energy: 1.3900763635910678
Energy: 1.316377956789175
Energy: 1.394186387280411
Energy: 1.316377956789175
Energy: 1.3939700887588184
Energy: 1.3217616658829545
Energy: 1.3242409030650122
Energy: 1.3217616658815856
Energy: 1.3939700887588184
Energy: 1.3217616658815856
Energy: 1.3841356333100119
Energy: 1.3280683500371735
Energy: 1.34346104740016
Energy: 1.3280683500371735
Energy: 1.3841356333100119
Energy: 1.3280683500371735
Energy: 1.3841101528850297
Energy: 1.3278537725314723
Energy: 1.4355223346010078
Energy: 1.3278537725301036
Energy: 1.3841101528843451
Energy: 1.3278537725301036
Energy: 1.3284873125186192
Energy: 1.3411904758483133
Energy: 1.291435388213042
Energy: 1.3411904758489976
Energy: 1.3284873125186192
Energy: 1.3411904758489976
Energy: 1.4194036080445185
Energy: 1.3105067058359336
Energy: 1.30582627327485
Energy: 1.3105067058373026
Energy: 1.4194036080445185
Energy: 1.310506705836618
Energy: 1.5054388960170455
Energy: 1.3284174559238477
Energy: 1.343361876702711
Energy: 1.328417455922479
Energy: 1.5054388960170455
Energy: 1.328417455922479

minimum gb energy = 1.262501955579608 eV
minimum distance =  2.25993400297228 Angstroms
sigma value = 51


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

Energy: 1.5185977033316636
Energy: 1.3608879250314918
Energy: 1.3983304340137706
Energy: 1.3608879250314918
Energy: 1.5185977033316636
Energy: 1.3608879250314918
Energy: 1.265315748044751
Energy: 1.3588979994255022
Energy: 1.5868822547482009
Energy: 1.3588979994255022
Energy: 1.265315748044751
Energy: 1.3588979994255022
Energy: 1.2647395495321314
Energy: 1.360782507727671
Energy: 1.586282940625888
Energy: 1.3607825077292561
Energy: 1.2647395495321314
Energy: 1.3607825077292561
Energy: 1.2781625457930523
Energy: 1.313443838568557
Energy: 1.5876811212836324
Energy: 1.3134438385670075
Energy: 1.2781625457930523
Energy: 1.3134438385670075
Energy: 1.2651604630828313
Energy: 1.317535222376264
Energy: 1.492611826892237
Energy: 1.317535222376264
Energy: 1.2651604630828313
Energy: 1.317535222376264
Energy: 1.5181180573938278
Energy: 1.313364491274396
Energy: 1.6367296578906585
Energy: 1.313364491274396
Energy: 1.5181180573938278
Energy: 1.313364491274396
Energy: 1.5185039648985212
Energy: 1.3167593888108649
Energy: 1.3905742170344355
Energy: 1.31675938881245
Energy: 1.5185039648985212
Energy: 1.31675938881245
Energy: 1.2788620866355422
Energy: 1.3135231962553129
Energy: 1.2454180702434188
Energy: 1.313523196258484
Energy: 1.2788620866355422
Energy: 1.3135231962568985
Energy: 1.518329048091059
Energy: 1.3409841847542907
Energy: 1.2799080547124462
Energy: 1.340984184755876
Energy: 1.518329048091059
Energy: 1.340984184755876
Energy: 1.2648272001862417
Energy: 1.3620566823534912
Energy: 1.2454012835983246
Energy: 1.3620566823534912
Energy: 1.2648272001862417
Energy: 1.3620566823534912
Energy: 1.597708146041474
Energy: 1.3147300592972258
Energy: 1.5864571252653095
Energy: 1.3147300592988111
Energy: 1.597708146041474
Energy: 1.3147300592988111
Energy: 1.5185373227024452
Energy: 1.3617459796385722
Energy: 1.636775733088628
Energy: 1.3617459796369868
Energy: 1.5185373227024452
Energy: 1.3617459796354017
Energy: 1.403823020783074
Energy: 1.3133569214865555
Energy: 1.5868559188885187
Energy: 1.3133569214865555
Energy: 1.403823020783074
Energy: 1.3133569214865555
Energy: 1.2645821959050423
Energy: 1.3616396593250228
Energy: 1.5864097017276442
Energy: 1.3616396593234374
Energy: 1.2645821959050423
Energy: 1.3616396593234374
Energy: 1.2645478569840072
Energy: 1.3660978471989398
Energy: 1.586551682006792
Energy: 1.3660978471973544
Energy: 1.2645478569840072
Energy: 1.3660978471973544
Energy: 1.2657131356082039
Energy: 1.3171141260747574
Energy: 1.5864281782436813
Energy: 1.3171141260731718
Energy: 1.2657131356082039
Energy: 1.3171141260731718
Energy: 1.5181857968569352
Energy: 1.3664150959858843
Energy: 1.6344402625166143
Energy: 1.3664150959842989
Energy: 1.5181857968569352
Energy: 1.3664150959842989
Energy: 1.5183515003505528
Energy: 1.3189338882306803
Energy: 1.586829134973139
Energy: 1.3189338882322656
Energy: 1.5183515003505528
Energy: 1.3189338882322656

minimum gb energy = 1.2454012835983246 eV
minimum distance =  2.2511487091138 Angstroms
sigma value = 19


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

Energy: 1.6513261065497145
Energy: 1.4219067367137608
Energy: 1.3641889426471832
Energy: 1.4219067367137608
Energy: 1.6513261065497145
Energy: 1.4219067367137608
Energy: 1.3137745352769583
Energy: 1.4051026485719158
Energy: 1.3378649299663747
Energy: 1.4051026485719158
Energy: 1.3137745352769583
Energy: 1.4051026485719158
Energy: 1.280771874540257
Energy: 1.4157389955100685
Energy: 1.4397993756700904
Energy: 1.4157389955110091
Energy: 1.280771874540257
Energy: 1.4157389955100685
Energy: 1.346795756892913
Energy: 1.3899491467287182
Energy: 1.3377014226420088
Energy: 1.3899491467287182
Energy: 1.346795756892913
Energy: 1.3899491467287182
Energy: 1.3143217260846831
Energy: 1.4221045985354042
Energy: 1.3175011181611211
Energy: 1.4221045985354042
Energy: 1.3143217260846831
Energy: 1.4221045985354042
Energy: 1.337653476145647
Energy: 1.4220960251932366
Energy: 1.3143068324304072
Energy: 1.4220960251941772
Energy: 1.3376534761447063
Energy: 1.4220960251941772
Energy: 1.3377537212357988
Energy: 1.3899499282717334
Energy: 1.3469124056599682
Energy: 1.3899499282717334
Energy: 1.3377537212357988
Energy: 1.3899499282707926
Energy: 1.4398185270150454
Energy: 1.415743573617928
Energy: 1.2807678094315273
Energy: 1.415743573617928
Energy: 1.4398185270150454
Energy: 1.415743573617928
Energy: 1.3379182334421231
Energy: 1.4050574004327296
Energy: 1.2808548000497642
Energy: 1.4050574004327296
Energy: 1.3379182334430635
Energy: 1.4050574004327296
Energy: 1.4215904674738664
Energy: 1.4219067367137608
Energy: 1.6513261065497145
Energy: 1.4219067367137608
Energy: 1.4215904674738664
Energy: 1.4219067367137608
Energy: 1.3378649299654344
Energy: 1.4051026485719158
Energy: 1.2807916488481834
Energy: 1.405102648570975
Energy: 1.3378649299654344
Energy: 1.4051026485719158
Energy: 1.4397993756700904
Energy: 1.4157389955100685
Energy: 1.2807718745393382
Energy: 1.4157389955100685
Energy: 1.43979937566915
Energy: 1.4157389955100685
Energy: 1.3377014226420088
Energy: 1.3899491467287182
Energy: 1.3767019136764054
Energy: 1.3899491467287182
Energy: 1.3377014226420088
Energy: 1.3899491467287182
Energy: 1.3907279990321801
Energy: 1.4221045985363445
Energy: 1.3143217260846831
Energy: 1.4221045985354042
Energy: 1.3907279990321801
Energy: 1.4221045985354042
Energy: 1.3143068324304072
Energy: 1.4220960251941772
Energy: 1.3376534761447063
Energy: 1.4220960251941772
Energy: 1.3143068324304072
Energy: 1.4220960251941772
Energy: 1.3138395789045991
Energy: 1.3899499282707926
Energy: 1.3377537212357988
Energy: 1.3899499282707926
Energy: 1.3138395789045991
Energy: 1.3899499282707926
Energy: 1.2807678094315273
Energy: 1.415743573617928
Energy: 1.4398185270150454
Energy: 1.415743573617928
Energy: 1.2807678094315273
Energy: 1.415743573617928
Energy: 1.2808548000488236
Energy: 1.4050574004327296
Energy: 1.3379182334430635
Energy: 1.40505740043367
Energy: 1.2808548000488236
Energy: 1.4050574004327296
Energy: 1.6513261065497145
Energy: 1.4219067367137608
Energy: 1.442928357920955
Energy: 1.4219067367137608
Energy: 1.6513261065497145
Energy: 1.4219067367137608
Energy: 1.2807916488481834
Energy: 1.4051026485719158
Energy: 1.3378649299654344
Energy: 1.4051026485719158
Energy: 1.2807916488481834
Energy: 1.4051026485719158
Energy: 1.280771874540257
Energy: 1.4157389955110091
Energy: 1.43979937566915
Energy: 1.4157389955110091
Energy: 1.280771874540257
Energy: 1.4157389955100685
Energy: 1.3767019136764054
Energy: 1.3899491467287182
Energy: 1.3377014226420088
Energy: 1.3899491467287182
Energy: 1.3767019136764054
Energy: 1.3899491467287182
Energy: 1.3143217260846831
Energy: 1.4221045985354042
Energy: 1.3907279990321801
Energy: 1.4221045985354042
Energy: 1.3143217260846831
Energy: 1.4221045985354042
Energy: 1.3376534761447063
Energy: 1.4220960251941772
Energy: 1.3143068324304072
Energy: 1.4220960251932366
Energy: 1.337653476145647
Energy: 1.4220960251932366
Energy: 1.3377537212357988
Energy: 1.3899499282717334
Energy: 1.3138395789045991
Energy: 1.3899499282717334
Energy: 1.3377537212357988
Energy: 1.3899499282717334
Energy: 1.4398185270150454
Energy: 1.415743573617928
Energy: 1.2807678094315273
Energy: 1.415743573617928
Energy: 1.4398185270150454
Energy: 1.415743573617928
Energy: 1.3379182334430635
Energy: 1.4050574004327296
Energy: 1.2808548000497642
Energy: 1.4050574004327296
Energy: 1.3379182334430635
Energy: 1.4050574004327296
Energy: 1.4399417730567698
Energy: 1.4219067367137608
Energy: 1.6513261065497145
Energy: 1.4219067367137608
Energy: 1.4399417730567698
Energy: 1.4219067367137608
Energy: 1.3378649299654344
Energy: 1.4051026485719158
Energy: 1.2807916488481834
Energy: 1.4051026485719158
Energy: 1.3378649299654344
Energy: 1.4051026485719158
Energy: 1.43979937566915
Energy: 1.4157389955100685
Energy: 1.2807718745393382
Energy: 1.4157389955100685
Energy: 1.43979937566915
Energy: 1.4157389955100685

minimum gb energy = 1.2807678094315273 eV
minimum distance =  2.24529116718607 Angstroms
sigma value = 27


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

Energy: 1.3921866650435788
Energy: 1.3884846158582365
Energy: 1.4900866674192117
Energy: 1.3884846158577655
Energy: 1.3921866650435788
Energy: 1.3884846158580006
Energy: 1.1796489088027065
Energy: 1.359631216786935
Energy: 1.3766257782867874
Energy: 1.3596312167876154
Energy: 1.1796489088027065
Energy: 1.3596312167866993
Energy: 1.386994721697136
Energy: 1.4956098715708608
Energy: 1.38714596588903
Energy: 1.4956098715710966
Energy: 1.3869947216973717
Energy: 1.4956098715710966
Energy: 1.1846141900936258
Energy: 1.3358736629289725
Energy: 1.2109013944932485
Energy: 1.3358736629285273
Energy: 1.1846141900936258
Energy: 1.3358736629287369
Energy: 1.3636430447126777
Energy: 1.3352007252803781
Energy: 1.384461167103885
Energy: 1.3352007252806135
Energy: 1.3636430447126777
Energy: 1.3352007252808493
Energy: 1.3901157280169436
Energy: 1.497063689857674
Energy: 1.3640690757388962
Energy: 1.4970636898581189
Energy: 1.3901157280167078
Energy: 1.497063689857674
Energy: 1.3764648702569697
Energy: 1.4848946513679466
Energy: 1.3872424719459817
Energy: 1.4848946513681824
Energy: 1.376464870256734
Energy: 1.4848946513681824
Energy: 1.3928383239595035
Energy: 1.3787503986461147
Energy: 1.3771175851063227
Energy: 1.3787503986456435
Energy: 1.3928383239595035
Energy: 1.3787503986461147
Energy: 1.3643829392370492
Energy: 1.38157053442031
Energy: 1.1794476672250092
Energy: 1.38157053442031
Energy: 1.3643829392368398
Energy: 1.3815705344205194
Energy: 1.390349632904434
Energy: 1.4993988695432332
Energy: 1.390409106034696
Energy: 1.4993988695439138
Energy: 1.390349632904434
Energy: 1.4993988695439138
Energy: 1.3764498396105467
Energy: 1.3350885843894378
Energy: 1.2093679412614562
Energy: 1.3350885843889666
Energy: 1.3764498396110176
Energy: 1.3350885843887308
Energy: 1.3769137003284946
Energy: 1.335717541089972
Energy: 1.1849015157367808
Energy: 1.3357175410902076
Energy: 1.376913700328285
Energy: 1.3357175410902076

minimum gb energy = 1.1794476672250092 eV
minimum distance =  2.26434195281802 Angstroms
sigma value = 9


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

Energy: 1.6603851536137517
Energy: 1.5072483691692407
Energy: 1.3775184198132318
Energy: 1.5072483691692407
Energy: 1.6603851536137517
Energy: 1.5072483691692407
Energy: 1.3616231178388623
Energy: 1.4720351301166696
Energy: 1.3233580756150893
Energy: 1.4904263412150005
Energy: 1.361623117839509
Energy: 1.451354999964269
Energy: 1.3235796476830775
Energy: 1.4896968355584455
Energy: 1.3235847211616139
Energy: 1.489696835557798
Energy: 1.3235796476830775
Energy: 1.489696835557798
Energy: 1.283835322554294
Energy: 1.4622223549241218
Energy: 1.2475031681084419
Energy: 1.462222354924769
Energy: 1.283835322554294
Energy: 1.462222354924769
Energy: 1.2818983663312182
Energy: 1.4611472403131733
Energy: 1.267698704468645
Energy: 1.4611472403138206
Energy: 1.2818983663312182
Energy: 1.4611472403138206
Energy: 1.259575508980808
Energy: 1.4075554345160515
Energy: 1.3231137972191738
Energy: 1.4283096799805275
Energy: 1.259575508980808
Energy: 1.4075554345154042
Energy: 1.4143178073900162
Energy: 1.4753119935643753
Energy: 1.3216395722029703
Energy: 1.4753119935650223
Energy: 1.4143178073900162
Energy: 1.4753119935643753
Energy: 1.4722030207238916
Energy: 1.4623294919035075
Energy: 1.3408496713306
Energy: 1.4623294919035075
Energy: 1.4722030207238916
Energy: 1.4623294919035075
Energy: 1.3217470393362885
Energy: 1.4178322391790341
Energy: 1.3381388892130213
Energy: 1.4178322391796816
Energy: 1.321747039335641
Energy: 1.4178322391790341
Energy: 1.4673122487918395
Energy: 1.4904822475710229
Energy: 1.2813104785834109
Energy: 1.4904822475716701
Energy: 1.4673122487918395
Energy: 1.4904822475716701
Energy: 1.3191810113440512
Energy: 1.4555879741921254
Energy: 1.3233642468042246
Energy: 1.4555879741927724
Energy: 1.3191810113440512
Energy: 1.4555879741927724
Energy: 1.3375975173808152
Energy: 1.4623472149265753
Energy: 1.3318962010042033
Energy: 1.4623472149265753
Energy: 1.337597517380168
Energy: 1.4623472149272225
Energy: 1.257845042475097
Energy: 1.4091741248612146
Energy: 1.251461550905744
Energy: 1.4091741248612146
Energy: 1.2578450424744498
Energy: 1.4091741248612146
Energy: 1.4146109915878042
Energy: 1.4911554666696731
Energy: 1.2509261631948654
Energy: 1.4911554666690259
Energy: 1.4146109915878042
Energy: 1.4911554666690259
Energy: 1.3397441598346178
Energy: 1.4644650590847381
Energy: 1.3247079394836432
Energy: 1.4644650590840906
Energy: 1.3397441598346178
Energy: 1.4644650590847381
Energy: 1.3479460018250307
Energy: 1.4477274831679927
Energy: 1.3314084017136594
Energy: 1.4477274831679927
Energy: 1.3479460018250307
Energy: 1.4477274831679927
Energy: 1.3311807227133496
Energy: 1.4931922820394006
Energy: 1.2816536817749864
Energy: 1.4931922820394006
Energy: 1.3311807227127026
Energy: 1.4931922820394006
Energy: 1.2489365994123625
Energy: 1.4074132582035934
Energy: 1.3365171720320883
Energy: 1.4074132582035934
Energy: 1.2489365994110684
Energy: 1.4074132582035934
Energy: 1.323313205002348
Energy: 1.4947333727435541
Energy: 1.2576031381918473
Energy: 1.494733372742907
Energy: 1.323313205002348
Energy: 1.494733372742907
Energy: 1.2578202797382239
Energy: 1.4902890365809929
Energy: 1.2577727389520308
Energy: 1.4955063581542412
Energy: 1.2578202797382239
Energy: 1.4955063581542412
Energy: 1.2578257298603592
Energy: 1.4947703683082365
Energy: 1.32384427284601
Energy: 1.4947703683075895
Energy: 1.2578257298610065
Energy: 1.4947703683075895
Energy: 1.3367030342512456
Energy: 1.407446414907634
Energy: 1.2489591952838044
Energy: 1.407446414906987
Energy: 1.3367030342512456
Energy: 1.407446414906987
Energy: 1.2817774428145412
Energy: 1.4930229897767124
Energy: 1.3308280324563877
Energy: 1.4930229897767124
Energy: 1.2817774428145412
Energy: 1.4930229897767124
Energy: 1.3314054929653842
Energy: 1.4476264681307562
Energy: 1.3480416144376732
Energy: 1.4476264681301094
Energy: 1.3314054929653842
Energy: 1.4476264681301094
Energy: 1.3244029946440063
Energy: 1.46448639973056
Energy: 1.339898383525158
Energy: 1.46448639973056
Energy: 1.3244029946440063
Energy: 1.46448639973056
Energy: 1.2510352939638523
Energy: 1.4911398387036783
Energy: 1.4145871529782896
Energy: 1.4911398387043255
Energy: 1.2510352939644998
Energy: 1.4911398387036783
Energy: 1.2516920325905132
Energy: 1.409203456266115
Energy: 1.2578447533326156
Energy: 1.409203456266115
Energy: 1.2516920325905132
Energy: 1.409203456266115
Energy: 1.3316793032369934
Energy: 1.4623139264225542
Energy: 1.3377522362488414
Energy: 1.4623139264225542
Energy: 1.3316793032369934
Energy: 1.4623139264225542
Energy: 1.323427506350326
Energy: 1.455853489799888
Energy: 1.3248422197189318
Energy: 1.455853489799888
Energy: 1.323427506350326
Energy: 1.455853489799241
Energy: 1.2812803192439353
Energy: 1.4906695720103147
Energy: 1.467561564674543
Energy: 1.4906695720096674
Energy: 1.2812803192445825
Energy: 1.4906695720096674
Energy: 1.3234885425134868
Energy: 1.4178322391757978
Energy: 1.321673866758076
Energy: 1.4178322391757978
Energy: 1.3234885425134868
Energy: 1.4178322391751508
Energy: 1.340913452590434
Energy: 1.4623244286945591
Energy: 1.4721997432315739
Energy: 1.4623244286939119
Energy: 1.3409134525897866
Energy: 1.4623244286939119
Energy: 1.319327026875136
Energy: 1.4753138003297397
Energy: 1.4145724942086189
Energy: 1.475313800330387
Energy: 1.319327026875136
Energy: 1.475313800330387
Energy: 1.3232738744165475
Energy: 1.4464531303800596
Energy: 1.2595769403727903
Energy: 1.4464531303800596
Energy: 1.3232738744171948
Energy: 1.4464531303800596
Energy: 1.2478767182628128
Energy: 1.4611119517104207
Energy: 1.2818988993906708
Energy: 1.461111951711068
Energy: 1.24787671826346
Energy: 1.461111951711068
Energy: 1.2474309918353172
Energy: 1.4622693001496696
Energy: 1.2838219634568542
Energy: 1.4622693001496696
Energy: 1.24743099183467
Energy: 1.4622693001496696
Energy: 1.3237047818209795
Energy: 1.4896615368088457
Energy: 1.3235757009100608
Energy: 1.489661536809493
Energy: 1.3237047818209795
Energy: 1.489661536809493
Energy: 1.3234079369260425
Energy: 1.4434156331798467
Energy: 1.3613133384442295
Energy: 1.4434156331798467
Energy: 1.3234079369260425
Energy: 1.4434156331798467
Energy: 1.3607185870706922
Energy: 1.5072483691685934
Energy: 1.6603851536137517
Energy: 1.5072483691685934
Energy: 1.360718587070045
Energy: 1.5072483691685934
Energy: 1.3233580756144419
Energy: 1.451354999964269
Energy: 1.3616231178388623
Energy: 1.451354999964269
Energy: 1.3233580756137948
Energy: 1.451354999964269
Energy: 1.3235847211609666
Energy: 1.4896968355584455
Energy: 1.3235796476837247
Energy: 1.4896968355584455
Energy: 1.3235847211616139
Energy: 1.4896968355584455
Energy: 1.2475031681077946
Energy: 1.462222354924769
Energy: 1.2838353225536467
Energy: 1.462222354924769
Energy: 1.2475031681077946
Energy: 1.462222354924769
Energy: 1.2860452107593359
Energy: 1.4611472403131733
Energy: 1.281898366330571
Energy: 1.4611472403131733
Energy: 1.2860452107586884
Energy: 1.4611472403131733

minimum gb energy = 1.24743099183467 eV
minimum distance =  2.24748793563979 Angstroms
sigma value = 57


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

Energy: 1.3837385115225398
Energy: 1.4167425995614984
Energy: 1.348800851924529
Energy: 1.4167425995614984
Energy: 1.3837385115225398
Energy: 1.4167425995629717
Energy: 1.12983564483659
Energy: 1.417808849545249
Energy: 1.2314376494250472
Energy: 1.417808849545249
Energy: 1.12983564483659
Energy: 1.417808849545249
Energy: 1.1231309271803993
Energy: 1.3764008719918948
Energy: 1.16160463763295
Energy: 1.3764008719918948
Energy: 1.1231309271803993
Energy: 1.3764008719918948
Energy: 1.159109738177369
Energy: 1.394507702245261
Energy: 1.1586350773508058
Energy: 1.394507702245261
Energy: 1.159109738177369
Energy: 1.394507702245261
Energy: 1.1595484399248905
Energy: 1.417300945717501
Energy: 1.2332920576538904
Energy: 1.417300945717501
Energy: 1.1595484399248905
Energy: 1.417300945717501
Energy: 1.1592167626096688
Energy: 1.376332336790728
Energy: 1.121248607851554
Energy: 1.376332336790728
Energy: 1.1592167626096688
Energy: 1.376332336790728
Energy: 1.1592301178849596
Energy: 1.3763582088260797
Energy: 1.1213536591405329
Energy: 1.3763582088246065
Energy: 1.1592301178849596
Energy: 1.3763582088246065
Energy: 1.1595470760920528
Energy: 1.4172842546574986
Energy: 1.1586514341092282
Energy: 1.4172842546574986
Energy: 1.1595470760920528
Energy: 1.4172842546574986
Energy: 1.1591147019440438
Energy: 1.3945173192685998
Energy: 1.2303881912010524
Energy: 1.3945173192685998
Energy: 1.1591147019440438
Energy: 1.3945173192685998
Energy: 1.1231352503768885
Energy: 1.376432169363876
Energy: 1.1614374829907952
Energy: 1.376432169363876
Energy: 1.1231352503768885
Energy: 1.376432169363876
Energy: 1.1297808145947215
Energy: 1.417808849545249
Energy: 1.1594628650135783
Energy: 1.417808849545249
Energy: 1.1297808145947215
Energy: 1.417808849545249
Energy: 1.3837385115225398
Energy: 1.4167425995614984
Energy: 1.3624688912713026
Energy: 1.4167425995614984
Energy: 1.3837385115225398
Energy: 1.4167425995614984
Energy: 1.12983564483659
Energy: 1.417808849545249
Energy: 1.1627400075920304
Energy: 1.417808849545249
Energy: 1.12983564483659
Energy: 1.417808849545249
Energy: 1.1231309271803993
Energy: 1.3764008719918948
Energy: 1.16160463763295
Energy: 1.3764008719918948
Energy: 1.1231309271803993
Energy: 1.3764008719918948
Energy: 1.159109738177369
Energy: 1.3945077022437877
Energy: 1.1586350773508058
Energy: 1.394507702245261
Energy: 1.159109738177369
Energy: 1.394507702245261
Energy: 1.1595484399248905
Energy: 1.417300945717501
Energy: 1.13150590695165
Energy: 1.417300945717501
Energy: 1.1595484399248905
Energy: 1.417300945717501
Energy: 1.1592167626096688
Energy: 1.3763323367892548
Energy: 1.1212486078500805
Energy: 1.376332336790728
Energy: 1.1592167626096688
Energy: 1.376332336790728
Energy: 1.1592301178849596
Energy: 1.3763582088246065
Energy: 1.1213536591405329
Energy: 1.3763582088246065
Energy: 1.1592301178849596
Energy: 1.3763582088246065
Energy: 1.1595470760920528
Energy: 1.4172842546574986
Energy: 1.1586514341092282
Energy: 1.4172842546574986
Energy: 1.1595470760920528
Energy: 1.4172842546574986

minimum gb energy = 1.1212486078500805 eV
minimum distance =  2.22901651170071 Angstroms
sigma value = 11


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

Energy: 1.2067452212681742
Energy: 1.3606034418710997
Energy: 1.220283277825225
Energy: 1.3606034418710997
Energy: 1.2067452212681742
Energy: 1.3606034418710997
Energy: 1.044301430254526
Energy: 1.3054832347857679
Energy: 1.0421718989496231
Energy: 1.3054832347836096
Energy: 1.0443014302534468
Energy: 1.3054832347846885
Energy: 1.20549239828417
Energy: 1.2823733756890145
Energy: 1.1287534765513874
Energy: 1.282373375687935
Energy: 1.2054923982852492
Energy: 1.2823733756890145
Energy: 1.0521599144387104
Energy: 1.2787962001086324
Energy: 1.0423379585848729
Energy: 1.2787962001086324
Energy: 1.0521599144397897
Energy: 1.2787962001086324
Energy: 1.0427661731963889
Energy: 1.3606586702459706
Energy: 1.1067921912348953
Energy: 1.3606586702470498
Energy: 1.0427661731953095
Energy: 1.3606586702470498
Energy: 1.0678629547465726
Energy: 1.3373444440094726
Energy: 1.0421360608775165
Energy: 1.3373444440083933
Energy: 1.0678629547465726
Energy: 1.3373444440094726
Energy: 1.0670544062161342
Energy: 1.2829554226636557
Energy: 1.0422916422600657
Energy: 1.2829554226636557
Energy: 1.0670544062161342
Energy: 1.2829554226636557
Energy: 1.0701711540189172
Energy: 1.3618939845701756
Energy: 1.0533701086187477
Energy: 1.3618939845701756
Energy: 1.0701711540178376
Energy: 1.3618939845701756
Energy: 1.070150204616168
Energy: 1.3604538296760655
Energy: 1.1295934078561298
Energy: 1.3604538296749862
Energy: 1.070150204617247
Energy: 1.3604538296760655
Energy: 1.0682500017070513
Energy: 1.282334862040126
Energy: 1.0421427720117638
Energy: 1.282334862040126
Energy: 1.0682500017070513
Energy: 1.282334862040126
Energy: 1.0668133899828336
Energy: 1.3359453420794323
Energy: 1.0422008097761617
Energy: 1.3359453420794323
Energy: 1.0668133899828336
Energy: 1.3359453420794323
Energy: 1.0441443470555762
Energy: 1.3619935497773115
Energy: 1.0429741370969001
Energy: 1.3619935497773115
Energy: 1.0441443470555762
Energy: 1.3619935497773115
Energy: 1.0721899717084324
Energy: 1.2801764147722103
Energy: 1.106740152570616
Energy: 1.2801764147722103
Energy: 1.0721899717095114
Energy: 1.2801764147722103
Energy: 1.0429167857874782
Energy: 1.2827801811596353
Energy: 1.0671876123747521
Energy: 1.2827801811596353
Energy: 1.0429167857863988
Energy: 1.2827801811596353
Energy: 1.0443944997558539
Energy: 1.3063958654528967
Energy: 1.042207524798368
Energy: 1.3063958654528967
Energy: 1.0443944997547747
Energy: 1.3063958654528967
Energy: 1.0537309207825651
Energy: 1.3619995976267643
Energy: 1.0743602372658703
Energy: 1.3619995976267643
Energy: 1.053730920781486
Energy: 1.3619995976267643
Energy: 1.051743414682966
Energy: 1.3039342023106146
Energy: 1.0706139395793164
Energy: 1.3039342023116938
Energy: 1.051743414690521
Energy: 1.3039342023106146
Energy: 1.042823770831783
Energy: 1.282833525009704
Energy: 1.095432913184409
Energy: 1.2828335250107832
Energy: 1.0428237708339416
Energy: 1.2828335250107832
Energy: 1.0527680746889831
Energy: 1.278722661856912
Energy: 1.0421516910642057
Energy: 1.278722661856912
Energy: 1.0527680746900627
Energy: 1.278722661856912
Energy: 1.044230356778061
Energy: 1.3614162557179912
Energy: 1.0671975700446832
Energy: 1.3614162557179912
Energy: 1.044230356778061
Energy: 1.3614162557179912
Energy: 1.1303208212343605
Energy: 1.3399944025853188
Energy: 1.0420891877323442
Energy: 1.3399944025853188
Energy: 1.1303208212354396
Energy: 1.3399944025863981
Energy: 1.0683727471172952
Energy: 1.283055233528992
Energy: 1.0425094546357312
Energy: 1.283055233528992
Energy: 1.0683727471172952
Energy: 1.283055233528992
Energy: 1.0725164086561063
Energy: 1.3642526851789043
Energy: 1.053416593072556
Energy: 1.3642526851789043
Energy: 1.0725164086604235
Energy: 1.3642526851789043
Energy: 1.044502645959077
Energy: 1.360775411692873
Energy: 1.043560691689039
Energy: 1.360775411692873
Energy: 1.0445026459579974
Energy: 1.360775411692873
Energy: 1.0720110033278778
Energy: 1.2832030099862837
Energy: 1.0421080657762298
Energy: 1.2832030099862837
Energy: 1.0720110033278778
Energy: 1.2832030099862837
Energy: 1.0682884199102318
Energy: 1.336683991506565
Energy: 1.0422108662792258
Energy: 1.336683991506565
Energy: 1.0682884199102318
Energy: 1.336683991506565

minimum gb energy = 1.0420891877323442 eV
minimum distance =  2.26162309318729 Angstroms
sigma value = 41


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

Energy: 1.3623525570655977
Energy: 1.2982561227609435
Energy: 1.030298887506376
Energy: 1.298256122761794
Energy: 1.362352557066448
Energy: 1.2982561227609435
Energy: 1.1905546130930444
Energy: 1.2004196222451902
Energy: 0.953850130673542
Energy: 1.2004196222451902
Energy: 1.1905546130930444
Energy: 1.2004196222451902
Energy: 1.0629005838894054
Energy: 1.244998144621753
Energy: 0.9895439593758985
Energy: 1.244998144621753
Energy: 1.0629005838894054
Energy: 1.244998144621753
Energy: 1.1966951264767767
Energy: 1.1679553287100386
Energy: 0.9541575984303874
Energy: 1.1679553287100386
Energy: 1.1966951264767767
Energy: 1.1679553287100386
Energy: 1.0712259156715471
Energy: 1.161561418395377
Energy: 0.9861146749659249
Energy: 1.161561418395377
Energy: 1.0712259156715471
Energy: 1.161561418395377
Energy: 1.2117585174710328
Energy: 1.241086596766229
Energy: 0.9536992087248519
Energy: 1.241086596766229
Energy: 1.2117585174710328
Energy: 1.241086596766229
Energy: 0.9547070663912716
Energy: 1.2445528133322852
Energy: 0.9542999033634307
Energy: 1.2445528133322852
Energy: 0.9547070663912716
Energy: 1.2445528133322852
Energy: 1.2613664086244412
Energy: 1.2582153078868323
Energy: 0.9566932949381907
Energy: 1.2582153078868323
Energy: 1.2613664086244412
Energy: 1.2582153078868323
Energy: 0.9863271888930004
Energy: 1.1621843917715744
Energy: 1.1892909065955843
Energy: 1.1621843917715744
Energy: 0.9863271888930004
Energy: 1.1621843917715744
Energy: 1.2202888986834395
Energy: 1.2462720776221643
Energy: 1.204391500934302
Energy: 1.2462720776221643
Energy: 1.2202888986834395
Energy: 1.2462720776221643
Energy: 1.2194289428474685
Energy: 1.2444976236463001
Energy: 1.2324295419878728
Energy: 1.2444976236463001
Energy: 1.2194289428474685
Energy: 1.2444976236463001
Energy: 0.9890888753263678
Energy: 1.2578686871000657
Energy: 0.9567112896276014
Energy: 1.2578686870992153
Energy: 0.9890888753263678
Energy: 1.2784233527372344
Energy: 0.9862132109077777
Energy: 1.2248005549541465
Energy: 1.189354888936181
Energy: 1.2248005549541465
Energy: 0.9862132109077777
Energy: 1.2248005549541465
Energy: 0.9572343997756703
Energy: 1.2462157592770604
Energy: 0.953773179370992
Energy: 1.2462157592770604
Energy: 0.9572343997756703
Energy: 1.2462157592770604
Energy: 1.2082953586758818
Energy: 1.2456419721335914
Energy: 0.953880219353411
Energy: 1.2456419721335914
Energy: 1.2082953586758818
Energy: 1.2456419721335914
Energy: 0.954324676584513
Energy: 1.2576969503148225
Energy: 0.9541876613666688
Energy: 1.2576969503148225
Energy: 0.954324676584513
Energy: 1.278335379844551
Energy: 1.1918685448916317
Energy: 1.2609018025375556
Energy: 0.9861388136244427
Energy: 1.2609018025384062
Energy: 1.1918685448916317
Energy: 1.2609018025384062
Energy: 0.9567213365352742
Energy: 1.2463447041232403
Energy: 0.9862978249992956
Energy: 1.2463447041240907
Energy: 0.956721336536125
Energy: 1.2463447041240907
Energy: 1.1901605105602098
Energy: 1.1934400319308809
Energy: 0.9540874100587476
Energy: 1.1934400319317318
Energy: 1.1901605105610606
Energy: 1.1934400319317318
Energy: 1.2045967873271073
Energy: 1.257214151305412
Energy: 1.1076045379658785
Energy: 1.257214151305412
Energy: 1.2045967873271073
Energy: 1.2782726434362723
Energy: 1.2238227277658504
Energy: 1.1971028127416188
Energy: 0.9862152211373905
Energy: 1.1971028127424697
Energy: 1.2238227277658504
Energy: 1.1971028127424697
Energy: 0.9568906744054525
Energy: 1.2462142692897904
Energy: 1.0291485497012751
Energy: 1.2462142692889397
Energy: 0.9568906744054525
Energy: 1.2462142692889397
Energy: 1.2088793392338544
Energy: 1.1650521208713884
Energy: 0.9540733493681793
Energy: 1.1650521208713884
Energy: 1.208879339238958
Energy: 1.1650521208713884
Energy: 0.9541086198472649
Energy: 1.2251805876382085
Energy: 0.9901625005719379
Energy: 1.2251805876382085
Energy: 0.9541086198472649
Energy: 1.200572231798707
Energy: 1.0979056306991373
Energy: 1.2248845853904056
Energy: 0.9536085699933203
Energy: 1.2248845853904056
Energy: 1.0979056306991373
Energy: 1.2248845853904056
Energy: 0.9570282324425059
Energy: 1.1630833461928374
Energy: 0.9549471101256432
Energy: 1.1630833461928374
Energy: 0.9570282324425059
Energy: 1.1630833461928374
Energy: 1.0569051722004148
Energy: 1.2448367505481162
Energy: 0.9564148282461667
Energy: 1.2448367505481162
Energy: 1.0569051722004148
Energy: 1.2448367505481162
Energy: 0.9891688315885789
Energy: 1.2250162377299973
Energy: 1.1894393750632388
Energy: 1.2250162377299973
Energy: 0.9891688315894297
Energy: 1.200590716017943
Energy: 1.2184002622558625
Energy: 1.2447985622150826
Energy: 1.2043275337199615
Energy: 1.2447985622150826
Energy: 1.2184002622558625
Energy: 1.2447985622150826
Energy: 0.9543155335421729
Energy: 1.1662719673233253
Energy: 1.2599597059618333
Energy: 1.1882491638705517
Energy: 0.9543155335421729
Energy: 1.1662719673233253
Energy: 0.9859945347580186
Energy: 1.2447842643745997
Energy: 0.9565293620038802
Energy: 1.2447842643745997
Energy: 0.9859945347580186
Energy: 1.244784264373749
Energy: 0.9895106241344842
Energy: 1.2442499438917305
Energy: 1.1894881421762744
Energy: 1.2442499438917305
Energy: 0.9895106241344842
Energy: 1.2442499438917305
Energy: 0.954031632655749
Energy: 1.2444305091323544
Energy: 0.9536135974901974
Energy: 1.2444305091332053
Energy: 0.954031632655749
Energy: 1.2444305091332053

minimum gb energy = 0.9536085699933203 eV
minimum distance =  2.25066237475947 Angstroms
sigma value = 33


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

Energy: 1.185356777875319
Energy: 1.1144616449101974
Energy: 1.0198610440993625
Energy: 1.1144616449101974
Energy: 1.1853567778741252
Energy: 1.1144616449101974
Energy: 1.62460380967563
Energy: 0.8947423185374358
Energy: 0.8478616912853044
Energy: 0.8947423185362418
Energy: 1.62460380967563
Energy: 0.8947423185362418
Energy: 1.1255397614884923
Energy: 1.1243326207105566
Energy: 0.9436215209566221
Energy: 1.1243326207099595
Energy: 1.1255397614884923
Energy: 1.1243326207093625
Energy: 1.4778809643672643
Energy: 0.8644658770065907
Energy: 0.8476411021273085
Energy: 0.8644658770065907
Energy: 1.4778809643666673
Energy: 0.8644658770065907
Energy: 0.9235557425372931
Energy: 1.1119363924090333
Energy: 0.8784402898493285
Energy: 1.1119363924096302
Energy: 0.9235557425372931
Energy: 1.1119363924096302
Energy: 1.3333879979895444
Energy: 1.0772324048261872
Energy: 0.8475411753242305
Energy: 1.0772324048261872
Energy: 1.3333879979895444
Energy: 1.0772324048261872
Energy: 0.9160137532747321
Energy: 1.0757941901471384
Energy: 0.8527966337318105
Energy: 1.0757941901471384
Energy: 0.9160137532741353
Energy: 1.0757941901471384
Energy: 1.1819716105294464
Energy: 1.0795401790609371
Energy: 0.8444996040397841
Energy: 1.07954017906034
Energy: 1.1819716105300433
Energy: 1.07954017906034
Energy: 0.8460345796851266
Energy: 1.106236037080527
Energy: 0.9776899831010599
Energy: 1.1062360370811242
Energy: 0.8460345796851266
Energy: 1.1062360370811242
Energy: 1.0312139593093135
Energy: 1.0977984676184498
Energy: 1.0200261048176025
Energy: 1.0977984676184498
Energy: 1.0312139593093135
Energy: 1.0977984676184498
Energy: 0.8481257666886913
Energy: 1.0760159919464392
Energy: 1.0295453608592493
Energy: 1.0760159919458423
Energy: 0.8481257666892883
Energy: 1.0760159919458423
Energy: 1.3442965110526808
Energy: 1.1142395679567327
Energy: 1.053179413199752
Energy: 1.1142395679573296
Energy: 1.3442965110520837
Energy: 1.1142395679567327
Energy: 1.0225724218705317
Energy: 1.1060437592949852
Energy: 1.2604252467793609
Energy: 1.1060437592949852
Energy: 1.0225724218705317
Energy: 1.1060437592949852
Energy: 1.0402389661285534
Energy: 1.1134733677489839
Energy: 1.3388838373085334
Energy: 1.1134733677489839
Energy: 1.0402389661285534
Energy: 1.1134733677489839
Energy: 1.0364827232564127
Energy: 1.0759248699418993
Energy: 1.3387195865808805
Energy: 1.0759248699418993
Energy: 1.0364827232564127
Energy: 1.0759248699413027
Energy: 1.0255237686774075
Energy: 1.11482816737851
Energy: 1.0579748306450432
Energy: 1.11482816737851
Energy: 1.0255237686774075
Energy: 1.11482816737851
Energy: 1.0223837517752445
Energy: 1.1005267072176064
Energy: 1.2608658417014826
Energy: 1.1005267072176064
Energy: 1.0223837517752445
Energy: 1.1005267072170093
Energy: 0.8523669842803809
Energy: 1.11308905322496
Energy: 1.0199294939204389
Energy: 1.11308905322496
Energy: 0.8523669842803809
Energy: 1.11308905322496
Energy: 1.036552651920852
Energy: 1.0987426925605068
Energy: 1.0302964906008276
Energy: 1.0987426925605068
Energy: 1.036552651920852
Energy: 1.0987426925605068
Energy: 0.8507924269830652
Energy: 1.1149174302613898
Energy: 0.8445428386068354
Energy: 1.1149174302607932
Energy: 0.8507924269830652
Energy: 1.1149174302607932
Energy: 1.022935064561606
Energy: 1.0946755721508783
Energy: 0.9896434354675807
Energy: 1.0946755721514754
Energy: 1.022935064561606
Energy: 1.0946755721520725
Energy: 0.8449249792932199
Energy: 1.1130830894114498
Energy: 0.8480533205586033
Energy: 1.1130830894126438
Energy: 0.8449249792932199
Energy: 1.1130830894126438
Energy: 1.3388104746796279
Energy: 1.104152460408084
Energy: 0.8528976915302723
Energy: 1.104152460408084
Energy: 1.3388104746796279
Energy: 1.104152460408084
Energy: 0.8545779919685946
Energy: 1.1149749376288067
Energy: 0.8477798571955805
Energy: 1.1149749376282094
Energy: 0.8545779919679976
Energy: 1.1149749376282094
Energy: 1.330599071932378
Energy: 1.0954320461171503
Energy: 0.9821281724644051
Energy: 1.0954320461159561
Energy: 1.3305990719335719
Energy: 1.095432046116553
Energy: 1.0343253601952676
Energy: 1.1129887194054733
Energy: 0.8639175024298893
Energy: 1.1129887194042796
Energy: 1.0343253601952676
Energy: 1.1129887194042796
Energy: 1.6231219622307405
Energy: 0.8677763309489919
Energy: 0.8526370819203902
Energy: 0.8677763309466039
Energy: 1.6231219622343227
Energy: 0.867776330949589
Energy: 1.0977333114346888
Energy: 1.1145369544413146
Energy: 1.035975311831234
Energy: 1.1145369544407178
Energy: 1.097733311435286
Energy: 1.1145369544413146
Energy: 1.3357212792787243
Energy: 1.0855844335459741
Energy: 0.9333745467153698
Energy: 1.0855844335459741
Energy: 1.3357212792781274
Energy: 1.0855844335459741
Energy: 1.0340243356655816
Energy: 1.1126883874185995
Energy: 1.0619017986346617
Energy: 1.1126883874185995
Energy: 1.0340243356661785
Energy: 1.1126883874185995
Energy: 1.3338194027895474
Energy: 0.8674079956983712
Energy: 0.852169705483408
Energy: 0.8674079957001621
Energy: 1.3338194027895474
Energy: 0.8674079956989682
Energy: 0.8542621250052197
Energy: 1.0961407248301658
Energy: 0.9508245159010785
Energy: 1.0961407248295687
Energy: 0.8542621250058167
Energy: 1.0961407248295687
Energy: 1.1801060098460157
Energy: 1.0735506793765899
Energy: 0.850597707879612
Energy: 1.073550679377187
Energy: 1.1801060098460157
Energy: 1.073550679377187
Energy: 0.8447063947066562
Energy: 1.0779489361376893
Energy: 1.1933487095188087
Energy: 1.0779489361376893
Energy: 0.8447063947048651
Energy: 1.0779489361376893
Energy: 1.194287510147911
Energy: 1.0779552318606438
Energy: 0.8445502217587935
Energy: 1.0779552318612406
Energy: 1.194287510147314
Energy: 1.0779552318612406
Energy: 0.8505766327170278
Energy: 1.0737520646102563
Energy: 1.1793915642119694
Energy: 1.0737520646102563
Energy: 0.8505766327164307
Energy: 1.0737520646102563
Energy: 0.9507298040740241
Energy: 1.0961488837808886
Energy: 0.8542957997297591
Energy: 1.0961488837808886
Energy: 0.9507298040740241
Energy: 1.0961488837808886
Energy: 0.8521529259370831
Energy: 0.8669258099334862
Energy: 1.3343471845328903
Energy: 0.8669258099334862
Energy: 0.8521529259370831
Energy: 0.8669258099352772
Energy: 1.0619017986298858
Energy: 1.1126744568522677
Energy: 1.033902221851628
Energy: 1.1126744568528646
Energy: 1.061901798630483
Energy: 1.1126744568528646
Energy: 1.0254485484715306
Energy: 1.0854767822376845
Energy: 1.3361394806761036
Energy: 1.0854767822370874
Energy: 1.0254485484733213
Energy: 1.0854767822370874
Energy: 1.0360270844797241
Energy: 1.1145181474695813
Energy: 1.0974986715051362
Energy: 1.1145181474701782
Energy: 1.0360270844821122
Energy: 1.1145181474701782
Energy: 0.8526888206802208
Energy: 0.8645462884836395
Energy: 1.6229219740722964
Energy: 0.8645462884848335
Energy: 0.8526888206802208
Energy: 0.8645462884842365
Energy: 0.8640733681382232
Energy: 1.112962876726955
Energy: 1.0346054888095149
Energy: 1.112962876726955
Energy: 0.8640733681382232
Energy: 1.112962876726955
Energy: 1.026668374406821
Energy: 1.0954798677840256
Energy: 1.335526964251008
Energy: 1.0954798677846227
Energy: 1.0266683744062242
Energy: 1.0954798677846227
Energy: 0.8479662817166075
Energy: 1.1149602816823054
Energy: 0.8546028547601129
Energy: 1.1149602816823054
Energy: 0.8479662817166075
Energy: 1.1149602816823054
Energy: 0.8528885876011417
Energy: 1.1041524604128596
Energy: 1.338774764530536
Energy: 1.1041524604128596
Energy: 0.8528885876011417
Energy: 1.104152460413457
Energy: 0.8477219735724505
Energy: 1.1130923322668633
Energy: 0.8449320020044762
Energy: 1.113092332266266
Energy: 0.8477219735730476
Energy: 1.113092332266266

minimum gb energy = 0.8444996040397841 eV
minimum distance =  2.28367786094752 Angstroms
sigma value = 67


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

Energy: 0.25737680772291904
Energy: 0.2580572532326613
Energy: 0.8810293542648479
Energy: 0.2580572532326613
Energy: 0.25737680772291904
Energy: 0.2580572532326613
Energy: 0.26382254859646603
Energy: 0.8032987127975191
Energy: 0.6270464595307638
Energy: 0.8032987127971111
Energy: 0.26382254859646603
Energy: 0.8032987127971111
Energy: 0.25737680772291904
Energy: 0.2580572532326613
Energy: 0.8810293542648479
Energy: 0.2580572532326613
Energy: 0.25737680772291904
Energy: 0.25805725323225326
Energy: 0.26382254859646603
Energy: 0.8032987127975191
Energy: 0.6270464594645678
Energy: 0.8032987127971111
Energy: 0.26382254859646603
Energy: 0.8032987127975191
Energy: 0.25737680772291904
Energy: 0.2580572532326613
Energy: 1.3973746690818731
Energy: 0.2580572532326613
Energy: 0.25737680772291904
Energy: 0.2580572532326613
Energy: 0.26382254859646603
Energy: 0.8032987127978818
Energy: 0.6270464595865993
Energy: 0.8032987127971111
Energy: 0.26382254859646603
Energy: 0.8032987127971111
Energy: 0.25737680772291904
Energy: 0.258057253233024
Energy: 1.4592252880610486
Energy: 0.2580572532326613
Energy: 0.25737680772291904
Energy: 0.25805725323225326

minimum gb energy = 0.25737680772291904 eV
minimum distance =  2.4336888677581 Angstroms
sigma value = 3


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

Energy: 1.3857585204834066
Energy: 1.0876678420952701
Energy: 0.9771574277245297
Energy: 1.087667842094727
Energy: 1.3857585204839498
Energy: 1.087667842094184
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Energy: 1.317331624642178
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Energy: 1.334533376533168
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Energy: 1.0362634473403851
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Energy: 1.0417622995325275
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Energy: 1.0362634473403851
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Energy: 0.832830355937917
Energy: 0.8503505095526258
Energy: 1.2930680857974988
Energy: 0.8503505095531688
Energy: 0.832830355937917
Energy: 0.8503505095520829
Energy: 0.8326409133185897
Energy: 1.0688910253819133
Energy: 1.0594652784153606
Energy: 1.0688910253824562
Energy: 0.8326409133185897
Energy: 1.0688910253824562
Energy: 0.8468627508951
Energy: 1.0296932428741232
Energy: 1.296390073594811
Energy: 1.0296932428741232
Energy: 0.8468627508951
Energy: 1.029693242874666
Energy: 0.8360136193500457
Energy: 1.0963023684808861
Energy: 1.3101744255753571
Energy: 1.0963023684808861
Energy: 0.8360136193500457
Energy: 1.0963023684803428
Energy: 0.8329405696248019
Energy: 0.8528105202220472
Energy: 1.4402853689940454
Energy: 0.8528105202220472
Energy: 0.8329405696242591
Energy: 0.8528105202231332
Energy: 0.8471317381015956
Energy: 1.11331791951131
Energy: 1.3359005113452713
Energy: 1.113317919510224
Energy: 0.8471317381021385
Energy: 1.113317919510767
Energy: 0.846933351689664
Energy: 0.8506040742239794
Energy: 1.4522393530709923
Energy: 0.8506040742234365
Energy: 0.846933351689664
Energy: 0.8506040742239794
Energy: 0.8616452294439653
Energy: 1.0962528895461636
Energy: 1.3103486325798641
Energy: 1.0962528895467063
Energy: 0.8616452294439653
Energy: 1.0962528895467063
Energy: 0.8330838915631049
Energy: 0.8475942994240865
Energy: 1.439816849688039
Energy: 0.8475942994240865
Energy: 0.8330838915625619
Energy: 0.8475942994240865
Energy: 0.8469053966351853
Energy: 1.0688111645969665
Energy: 1.0607148330143743
Energy: 1.0688111645964238
Energy: 0.8469053966351853
Energy: 1.0688111645969665
Energy: 0.8508734797880189
Energy: 0.8393188867304221
Energy: 1.1767002996695863
Energy: 0.8393188867304221
Energy: 0.8508734797880189
Energy: 0.8393188867304221
Energy: 1.0440571801501182
Energy: 1.063151273269424
Energy: 1.0402521745349902
Energy: 1.063151273269424
Energy: 1.0440571801501182
Energy: 1.063151273269424

minimum gb energy = 0.8321822089020996 eV
minimum distance =  2.27596103058271 Angstroms
sigma value = 81


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

Energy: 1.3547602592003851
Energy: 0.9610245983861123
Energy: 1.0957113978439232
Energy: 0.9610245983853672
Energy: 1.3547602592011303
Energy: 0.9610245983853672
Energy: 1.2262047288867661
Energy: 0.9646310864498907
Energy: 0.9275295287672543
Energy: 0.9646310864484002
Energy: 1.2262047288867661
Energy: 0.9646310864491454
Energy: 1.3643805520528167
Energy: 0.936377944407116
Energy: 1.0735123452271182
Energy: 0.9363779444078612
Energy: 1.3643805520535621
Energy: 0.9363779444078612
Energy: 1.2130945612170259
Energy: 0.9294331102946288
Energy: 0.9273003557579147
Energy: 0.9294331102938836
Energy: 1.2130945612162807
Energy: 0.9294331102938836
Energy: 0.9682309257599668
Energy: 0.9229651432220265
Energy: 1.014883246120788
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Energy: 0.9682309257599668
Energy: 0.9229651432220265
Energy: 1.0769003222659694
Energy: 0.9324596845603021
Energy: 0.9275594209526189
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Energy: 1.0807643307349646
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Energy: 0.9413919503934086
Energy: 1.242487220840864
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Energy: 0.9413919503926633
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Energy: 0.9224857349362122
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Energy: 0.9224857349362122
Energy: 1.2076772900089878
Energy: 0.926208229228338
Energy: 1.2223204045136675
Energy: 1.2342766225750226
Energy: 1.2223204045144127
Energy: 0.9262082292290831
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Energy: 0.9262840699657369
Energy: 0.9786065455854349
Energy: 1.2124907540017293
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Energy: 0.9230281665445926
Energy: 1.242903776699564
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Energy: 0.9230281665445926
Energy: 1.242903776698819
Energy: 0.9225429636317201
Energy: 0.9393917834798242
Energy: 1.1487676230287571
Energy: 0.9393917834805694
Energy: 0.9225429636317201
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Energy: 1.222624596146665
Energy: 0.9276705017322536
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Energy: 1.212664775822988
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Energy: 0.9317816378376702
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Energy: 1.212664775822988
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Energy: 1.2348881907966944
Energy: 1.243361425879881
Energy: 0.927330498103012
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Energy: 1.2348881907966944
Energy: 1.243361425879881
Energy: 1.234779943465034
Energy: 1.2235230200640972
Energy: 1.1590607158785076
Energy: 1.2235230200626066
Energy: 1.2347799434657791
Energy: 1.2235230200626066
Energy: 1.2346113136108814
Energy: 1.2228687486339556
Energy: 0.9318330921157731
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Energy: 1.2346113136093906
Energy: 1.2228687486339556
Energy: 1.234726619800413
Energy: 1.2230295252650405
Energy: 0.931819246188441
Energy: 1.2230295252657855
Energy: 1.2347266198019036
Energy: 1.2230295252650405
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Energy: 1.0943770524624987
Energy: 1.223515608750259
Energy: 1.2348096508311357
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Energy: 1.2349671163558624
Energy: 1.2433230762736276
Energy: 0.9273559827652995
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Energy: 1.2349671163558624
Energy: 1.2433230762736276
Energy: 1.2128155472823163
Energy: 1.2326630935365466
Energy: 0.9317957119429687
Energy: 1.2326630935358016
Energy: 1.2128155472823163
Energy: 1.2326630935365466
Energy: 1.212546888281881
Energy: 1.2224969811409427
Energy: 0.927683332419832
Energy: 1.2224969811416881
Energy: 1.212546888281881
Energy: 1.2224969811416881
Energy: 0.922536780540315
Energy: 0.9393797115334479
Energy: 1.068958159253846
Energy: 0.9393797115334479
Energy: 0.922536780540315
Energy: 0.9393797115327027
Energy: 0.9230347869903779
Energy: 1.2428729715967612
Energy: 0.9539039328216052
Energy: 1.2428729715975064
Energy: 0.9230347869903779
Energy: 1.2428729715975064
Energy: 0.9262767828844419
Energy: 0.9786065455854349
Energy: 1.2125363866416698
Energy: 0.9786065455854349
Energy: 0.9262767828844419
Energy: 0.9786065455854349
Energy: 0.926200422870771
Energy: 1.222321188722636
Energy: 1.234237527375187
Energy: 1.2223211887218908
Energy: 0.9262004228715162
Energy: 1.222321188722636
Energy: 0.9224748013568014
Energy: 1.2076605303221948
Energy: 1.088049024488221
Energy: 1.2076605303221948
Energy: 0.9224748013575466
Energy: 1.2076605303221948
Energy: 0.9414508583742459
Energy: 1.242493696157584
Energy: 1.2835900371278564
Energy: 1.242493696157584
Energy: 0.9414508583742459
Energy: 1.242493696157584
Energy: 0.9263072729474386
Energy: 0.9277722201478513
Energy: 1.2351790644146232
Energy: 0.9277722201478513
Energy: 0.9263072729474386
Energy: 0.9277722201485965
Energy: 0.9765075146868192
Energy: 1.2222595116801365
Energy: 1.2342213672672782
Energy: 1.2222595116793913
Energy: 0.9765075146868192
Energy: 1.2222595116801365
Energy: 0.9225518983787363
Energy: 0.9238601530240858
Energy: 1.0776214883379156
Energy: 0.9238601530240858
Energy: 0.9225518983787363
Energy: 0.9238601530240858
Energy: 0.9416539559281227
Energy: 0.9282770309656768
Energy: 0.9538294762012663
Energy: 0.9282770309656768
Energy: 0.9416539559281227
Energy: 0.9282770309664221
Energy: 0.9441909840608995
Energy: 0.9275921336466204
Energy: 1.0809424033843127
Energy: 0.9275921336466204
Energy: 0.9441909840608995
Energy: 0.9275921336466204

minimum gb energy = 0.9224748013568014 eV
minimum distance =  2.29637301604838 Angstroms
sigma value = 43


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

Energy: 1.5483950345330026
Energy: 1.3442501104745077
Energy: 1.1465760399675327
Energy: 1.3442501104745077
Energy: 1.5483950345330026
Energy: 1.3442501104745077
Energy: 1.3599682797749635
Energy: 1.049877671674306
Energy: 0.9870862079426085
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Energy: 1.3599682797749635
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Energy: 1.0532304415598108
Energy: 0.9850975894667553
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Energy: 1.3629902583826061
Energy: 0.9899443667133926
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Energy: 1.0055483866564572
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Energy: 0.9856843921631888
Energy: 1.1870301402336156
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Energy: 1.0366082988066752
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Energy: 0.9869962296926956
Energy: 0.9885343085790637
Energy: 1.3828671500256948
Energy: 0.9885343085790637
Energy: 0.9869962296926956
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Energy: 1.0110510105290147
Energy: 1.3311458481668064
Energy: 1.4040932325767266
Energy: 1.3311458481677219
Energy: 1.0110510105290147
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Energy: 0.9848653165441118
Energy: 1.3243571572791293
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Energy: 1.3243571572791293
Energy: 0.9872501769011421
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Energy: 1.0364263487031304
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Energy: 0.9872501769011421
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Energy: 1.2781348418606053
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Energy: 0.9860180225792485
Energy: 1.3298485603651762
Energy: 0.98714986442859
Energy: 1.3298485603660914
Energy: 0.9860180225801639
Energy: 1.3298485603651762
Energy: 0.9849943310840198
Energy: 0.9874988803355681
Energy: 0.9951274086392446
Energy: 0.9874988803355681
Energy: 0.9849943310831044
Energy: 0.9874988803355681
Energy: 1.3596745649713575
Energy: 0.9871163057514549
Energy: 0.9879573278440101
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Energy: 1.3596745649713575
Energy: 0.9871163057514549
Energy: 1.359943869644713
Energy: 0.9941147347664029
Energy: 1.1713960039182874
Energy: 0.9941147347664029
Energy: 1.3599438696437975
Energy: 0.9941147347664029
Energy: 1.4076049463357463
Energy: 1.3318207756876395
Energy: 0.9915888094461061
Energy: 1.3318207756876395
Energy: 1.4076049463357463
Energy: 1.3318207756876395
Energy: 1.4051441572738508
Energy: 1.329211553461842
Energy: 0.9946740492426174
Energy: 1.329211553461842
Energy: 1.4051441572738508
Energy: 1.329211553461842
Energy: 1.359725910914833
Energy: 1.3460907181632222
Energy: 0.9876690858446426
Energy: 1.3460907181632222
Energy: 1.359725910914833
Energy: 1.3460907181632222
Energy: 1.3597257716580433
Energy: 1.3723543241877427
Energy: 0.9871015541739475
Energy: 1.3723543241868272
Energy: 1.3597257716580433
Energy: 1.3723543241868272
Energy: 0.9856535141974231
Energy: 0.9872442765019869
Energy: 0.9917892051263943
Energy: 0.9872442765010715
Energy: 0.9856535141974231
Energy: 0.9872442765010715
Energy: 0.9854064017482237
Energy: 1.3294944553408807
Energy: 0.9865972168271525
Energy: 1.3294944553408807
Energy: 0.9854064017473083
Energy: 1.3294944553408807
Energy: 0.9874174697652285
Energy: 1.3237272252167607
Energy: 0.9890909430553582
Energy: 1.3237272252167607
Energy: 0.9874174697652285
Energy: 1.3237272252167607
Energy: 0.9867887709521158
Energy: 1.3721350305199491
Energy: 1.0374205475413338
Energy: 1.3721350305190338
Energy: 0.9867887709521158
Energy: 1.3721350305190338
Energy: 0.9852592980280438
Energy: 1.3241742012886073
Energy: 1.3603168797966347
Energy: 1.3241742012886073
Energy: 0.9852592980280438
Energy: 1.3241742012886073
Energy: 0.9871072542120879
Energy: 1.3293488424964837
Energy: 1.4041106346270054
Energy: 1.3293488424964837
Energy: 0.9871072542111725
Energy: 1.3293488424964837
Energy: 0.9875844518670268
Energy: 1.312741792850559
Energy: 1.2306434048062096
Energy: 1.312741792850559
Energy: 0.9875844518670268
Energy: 1.312741792850559
Energy: 1.0478310156647936
Energy: 0.9928112056754257
Energy: 1.0374881470710033
Energy: 0.9928112056745104
Energy: 1.0478310156647936
Energy: 0.9928112056745104
Energy: 0.9852129423035425
Energy: 0.9860332071378958
Energy: 1.1736710038324083
Energy: 0.9860332071378958
Energy: 0.9852129423035425
Energy: 0.9860332071378958
Energy: 0.9971610528136786
Energy: 0.9876228430575968
Energy: 0.9862662643849878
Energy: 0.9876228430566815
Energy: 0.9971610528127633
Energy: 0.9876228430575968

minimum gb energy = 0.9847757478386439 eV
minimum distance =  2.30078052634005 Angstroms
sigma value = 57


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

Energy: 1.1583939479447762
Energy: 1.4492661501776023
Energy: 1.311147645547685
Energy: 1.4492661501776023
Energy: 1.1583939479447762
Energy: 1.4492661501776023
Energy: 1.0793058722393731
Energy: 1.1502680377738137
Energy: 1.072185825708949
Energy: 1.1502680377749988
Energy: 1.0793058722393731
Energy: 1.1502680377738137
Energy: 1.0804963117031237
Energy: 1.4536840286698436
Energy: 1.2401981149984163
Energy: 1.4536840286710286
Energy: 1.0804963117031237
Energy: 1.4536840286710286
Energy: 1.0770351638533484
Energy: 1.0661837740943727
Energy: 1.0715919689586564
Energy: 1.0661837740943727
Energy: 1.0770351638533484
Energy: 1.0661837740943727
Energy: 1.0676134638700745
Energy: 1.0877868010957228
Energy: 1.0796984860327843
Energy: 1.0877868010957228
Energy: 1.0676134638700745
Energy: 1.0877868010957228
Energy: 1.077238403594685
Energy: 1.0650148261374677
Energy: 1.0754877659927575
Energy: 1.0650148261374677
Energy: 1.0772384035934999
Energy: 1.0650148261374677
Energy: 1.0658246416242196
Energy: 1.066053619019198
Energy: 1.0809327320179576
Energy: 1.066053619019198
Energy: 1.0658246416230348
Energy: 1.066053619019198
Energy: 1.0761980355164458
Energy: 1.0709829590005675
Energy: 1.155480466132026
Energy: 1.0709829589993822
Energy: 1.0761980355164458
Energy: 1.0709829590005675
Energy: 1.0680220320744136
Energy: 1.1490996327018568
Energy: 1.2191632225438793
Energy: 1.1490996327006717
Energy: 1.0680220320744136
Energy: 1.1490996327006717
Energy: 1.0672722754676842
Energy: 1.0714438526257253
Energy: 1.0757549639125894
Energy: 1.0714438526257253
Energy: 1.0672722754676842
Energy: 1.0714438526257253
Energy: 1.0646787074490807
Energy: 1.0652594266297097
Energy: 1.0658329943708433
Energy: 1.0652594266297097
Energy: 1.0646787074490807
Energy: 1.0652594266297097
Energy: 1.070252369859621
Energy: 1.0682688227598327
Energy: 1.0719261699068068
Energy: 1.0682688227598327
Energy: 1.070252369859621
Energy: 1.0682688227586474
Energy: 1.0682820189433813
Energy: 1.069750587660594
Energy: 1.149245018198791
Energy: 1.069750587660594
Energy: 1.0682820189433813
Energy: 1.069750587660594
Energy: 1.0691607572635267
Energy: 1.0667354503936057
Energy: 1.067254884406071
Energy: 1.0667354503936057
Energy: 1.0691607572635267
Energy: 1.0667354503936057
Energy: 1.0667557988711855
Energy: 1.069896548952313
Energy: 1.0812202173117353
Energy: 1.069896548952313
Energy: 1.0667557988711855
Energy: 1.069896548952313
Energy: 1.0695624058598612
Energy: 1.4582869683525355
Energy: 1.0720109156456532
Energy: 1.4582869683525355
Energy: 1.0695624058598612
Energy: 1.4582869683525355
Energy: 1.0687965197145597
Energy: 1.0694092212021094
Energy: 1.0647081478973708
Energy: 1.0694092212021094
Energy: 1.0687965197145597
Energy: 1.0694092212021094
Energy: 1.0675924407075026
Energy: 1.10079201239566
Energy: 1.0676161712623327
Energy: 1.10079201239566
Energy: 1.0675924407075026
Energy: 1.10079201239566
Energy: 1.0647000986520783
Energy: 1.068214987510816
Energy: 1.0688035785148182
Energy: 1.068214987509631
Energy: 1.0647000986520783
Energy: 1.068214987510816
Energy: 1.0720778696616715
Energy: 1.4582847818673015
Energy: 1.069562355068187
Energy: 1.4582847818673015
Energy: 1.0720778696616715
Energy: 1.4582847818673015
Energy: 1.0811642218742
Energy: 1.0696289850944414
Energy: 1.0668859619344147
Energy: 1.0696289850932563
Energy: 1.0811642218742
Energy: 1.0696289850932563
Energy: 1.0672257654301867
Energy: 1.2914597198602007
Energy: 1.0690518987393687
Energy: 1.2914597198602007
Energy: 1.0672257654301867
Energy: 1.2914597198602007
Energy: 1.1002931374132692
Energy: 1.0696005495576821
Energy: 1.0682859058895409
Energy: 1.0696005495576821
Energy: 1.1002931374132692
Energy: 1.0696005495576821
Energy: 1.0719347001772748
Energy: 1.0687669348604203
Energy: 1.0702564442095361
Energy: 1.068766934859235
Energy: 1.0719347001772748
Energy: 1.068766934859235

minimum gb energy = 1.0646787074490807 eV
minimum distance =  2.29889783253974 Angstroms
sigma value = 17


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

Energy: 1.15967545721488
Energy: 1.1584358020694043
Energy: 1.1776005888537362
Energy: 1.1584358020694043
Energy: 1.15967545721488
Energy: 1.1584358020677283
Energy: 1.177170031021925
Energy: 1.148902503510725
Energy: 1.1493351140185817
Energy: 1.148902503510725
Energy: 1.177170031021925
Energy: 1.148902503510725
Energy: 1.150955951083923
Energy: 1.1510916694621058
Energy: 1.3458915754435306
Energy: 1.1510916694621058
Energy: 1.150955951082247
Energy: 1.1510916694621058
Energy: 1.1748927790415913
Energy: 1.1492251102510416
Energy: 1.1493668564078947
Energy: 1.1492251102510416
Energy: 1.1748927790432673
Energy: 1.1492251102510416
Energy: 1.147774800685273
Energy: 1.148382673655841
Energy: 1.1505715708752067
Energy: 1.148382673655841
Energy: 1.147774800685273
Energy: 1.148382673655841
Energy: 1.1489819273881272
Energy: 1.1586091622559667
Energy: 1.1600015703839133
Energy: 1.1586091622559667
Energy: 1.1489819273881272
Energy: 1.1586091622559667
Energy: 1.1527337040563654
Energy: 1.3252627112424586
Energy: 1.1805517764206819
Energy: 1.3252627112424586
Energy: 1.1527337040563654
Energy: 1.3252627112424586
Energy: 1.1485270948869066
Energy: 1.4359094301368676
Energy: 1.1494618562253358
Energy: 1.4359094301368676
Energy: 1.1485270948869066
Energy: 1.4359094301368676
Energy: 1.1478131803172635
Energy: 1.1481110922187243
Energy: 1.2149359897248881
Energy: 1.1481110922170483
Energy: 1.1478131803172635
Energy: 1.1481110922170483
Energy: 1.1594070199726367
Energy: 1.131508957517606
Energy: 1.1494443517883173
Energy: 1.131508957519282
Energy: 1.1594070199726367
Energy: 1.131508957519282
Energy: 1.161549762695875
Energy: 1.1509865425993127
Energy: 1.157344219483458
Energy: 1.1509865425993127
Energy: 1.161549762695875
Energy: 1.1509865425993127
Energy: 1.1483224474492935
Energy: 1.1512429266195734
Energy: 1.1547098477088227
Energy: 1.1512429266195734
Energy: 1.1483224474492935
Energy: 1.1512429266195734
Energy: 1.1480142252955374
Energy: 1.29600342443192
Energy: 1.154046643821663
Energy: 1.29600342443192
Energy: 1.1480142252955374
Energy: 1.29600342443192
Energy: 1.1485184756536153
Energy: 1.1486930115644653
Energy: 1.1496149255423969
Energy: 1.1486930115644653
Energy: 1.1485184756536153
Energy: 1.1486930115644653
Energy: 1.1530204185772313
Energy: 1.4157727981685844
Energy: 1.1602740343488946
Energy: 1.4157727981669084
Energy: 1.1530204185772313
Energy: 1.4157727981669084
Energy: 1.1540331910481416
Energy: 1.1491223371973613
Energy: 1.1601757662323287
Energy: 1.1491223371973613
Energy: 1.1540331910481416
Energy: 1.1491223371973613
Energy: 1.1579267569664147
Energy: 1.1496270771252932
Energy: 1.148314085657335
Energy: 1.1496270771252932
Energy: 1.1579267569664147
Energy: 1.1496270771252932

minimum gb energy = 1.131508957517606 eV
minimum distance =  2.27659880415422 Angstroms
sigma value = 17


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

Energy: 1.8265652000037262
Energy: 1.4917230401617445
Energy: 1.6327414762073513
Energy: 1.4917230401630388
Energy: 1.8265652000043737
Energy: 1.4917230401630388
Energy: 1.448792165153558
Energy: 1.1721978429887594
Energy: 1.1365885081213134
Energy: 1.172197842990054
Energy: 1.448792165153558
Energy: 1.172197842990054
Energy: 1.1750523635337446
Energy: 1.212444067861543
Energy: 1.1604723652183915
Energy: 1.2124440678608954
Energy: 1.1750523635337446
Energy: 1.2124440678602482
Energy: 1.1437639648637101
Energy: 1.1610343939363974
Energy: 1.3584253781246376
Energy: 1.1610343939357501
Energy: 1.1437639648643574
Energy: 1.1610343939370447
Energy: 1.1347346888016911
Energy: 1.1726065806193928
Energy: 1.4578252887162813
Energy: 1.1726065806206876
Energy: 1.1347346888016911
Energy: 1.1726065806206876
Energy: 1.2907654677200389
Energy: 1.1734473151698572
Energy: 1.390224594080899
Energy: 1.1734473151646792
Energy: 1.2907654677213332
Energy: 1.1734473151711518
Energy: 1.1641458792500823
Energy: 1.2276317223259698
Energy: 1.5065727603754036
Energy: 1.2276317223259698
Energy: 1.1641458792500823
Energy: 1.2276317223259698
Energy: 1.172790053558188
Energy: 1.1326083623777798
Energy: 1.1627569556066366
Energy: 1.1326083623777798
Energy: 1.1727900533919347
Energy: 1.1326083623790746
Energy: 1.3888741501922386
Energy: 1.1739121821500509
Energy: 1.1452697852526716
Energy: 1.1739121821286918
Energy: 1.3888741501922386
Energy: 1.1739121821390477
Energy: 1.1345508860720974
Energy: 1.1870868699720154
Energy: 1.1357598737267522
Energy: 1.1938324441333235
Energy: 1.1345508860442954
Energy: 1.18708686997331
Energy: 1.3567170958498647
Energy: 1.48896147343312
Energy: 1.3370109162989845
Energy: 1.4889614734337673
Energy: 1.3567170958492174
Energy: 1.4889614734344145
Energy: 1.1709305870499944
Energy: 1.1721071307906787
Energy: 1.1810571154206322
Energy: 1.1721071307906787
Energy: 1.170930587050642
Energy: 1.1721071307893844
Energy: 1.1388175591018292
Energy: 1.1388465828177308
Energy: 1.4256450307387076
Energy: 1.1388465828216143
Energy: 1.1388175591018292
Energy: 1.1388465828216143
Energy: 1.1825230722732547
Energy: 1.4135952109038814
Energy: 1.6259925033969995
Energy: 1.413595210902587
Energy: 1.182523072273902
Energy: 1.4135952109032341
Energy: 1.1512642768956018
Energy: 1.4129462586417647
Energy: 1.3371949431301096
Energy: 1.4129462586417647
Energy: 1.1512642768956018
Energy: 1.4129462586411174
Energy: 1.3509832761831022
Energy: 1.4861011794736794
Energy: 1.1812435357843079
Energy: 1.4674638298159821
Energy: 1.3509832761824552
Energy: 1.4861011794710903
Energy: 1.3486796523438902
Energy: 1.133857981089871
Energy: 1.1511083492803837
Energy: 1.1338579810905183
Energy: 1.3486796523438902
Energy: 1.1338579810918128
Energy: 1.5516769199939666
Energy: 1.4054608193136926
Energy: 1.1509834209676912
Energy: 1.4054608193136926
Energy: 1.5516769199939666
Energy: 1.4054608193136926
Energy: 1.6234382409235668
Energy: 1.3731317979900535
Energy: 1.1679912122621539
Energy: 1.3731317979900535
Energy: 1.6234382409235668
Energy: 1.3731317979900535
Energy: 1.1734471276518026
Energy: 1.1879657830699168
Energy: 1.1745334649806958
Energy: 1.1879657830666805
Energy: 1.1734471276518026
Energy: 1.1530872607087834
Energy: 1.168569012373906
Energy: 1.3767435101780718
Energy: 1.549302065824383
Energy: 1.3767435101767773
Energy: 1.168569012373906
Energy: 1.3767435101767773
Energy: 1.152611940430816
Energy: 1.333707846613573
Energy: 1.4056703862257784
Energy: 1.333707846613573
Energy: 1.152611940430816
Energy: 1.3337078466142203
Energy: 1.153995126914836
Energy: 1.3454070160460838
Energy: 1.3597022078229695
Energy: 1.345407016044789
Energy: 1.153995126914836
Energy: 1.345407016044789
Energy: 1.182805591830774
Energy: 1.237316583825486
Energy: 1.3525916060407475
Energy: 1.237316583823544
Energy: 1.182805591830774
Energy: 1.2373165838241915
Energy: 1.3394175433533388
Energy: 1.1701486825714082
Energy: 1.1774925414786155
Energy: 1.1701486825707612
Energy: 1.339417543353986
Energy: 1.1701486825707612
Energy: 1.579569929053734
Energy: 1.3958142133964688
Energy: 1.1828241990279642
Energy: 1.3958142133951743
Energy: 1.579569929053734
Energy: 1.3958142133951743
Energy: 1.4347896126285158
Energy: 1.1351930118470612
Energy: 1.1399752971714843
Energy: 1.1351930118483555
Energy: 1.4347896126285158
Energy: 1.1351930118483555
Energy: 1.1823108646632758
Energy: 1.355718240135227
Energy: 1.1709459582763462
Energy: 1.3557182401345798
Energy: 1.1823108646632758
Energy: 1.3557182401345798
Energy: 1.283956627235718
Energy: 1.378342427572813
Energy: 1.356473744678077
Energy: 1.378342427572813
Energy: 1.2839566272376595
Energy: 1.3783424275741072
Energy: 1.1383890914946684
Energy: 1.1836919369154968
Energy: 1.3908073014056312
Energy: 1.1836919369154968
Energy: 1.1383890914946684
Energy: 1.1836919369135548
Energy: 1.1482536543563713
Energy: 1.1741154542490095
Energy: 1.3885437841993762
Energy: 1.1741154542490095
Energy: 1.1482536543557242
Energy: 1.1741154542515986
Energy: 1.1629861669269796
Energy: 1.1331590494031516
Energy: 1.4001424416240618
Energy: 1.1331590494044461
Energy: 1.1629861669269796
Energy: 1.1331590494050936
Energy: 1.3347115265618978
Energy: 1.2276788059220267
Energy: 1.1648123586481982
Energy: 1.2276788059220267
Energy: 1.334711526562545
Energy: 1.2276788059220267
Energy: 1.389796234452367
Energy: 1.1740018191913146
Energy: 1.3317412536275897
Energy: 1.1740018191964927
Energy: 1.3897962344530141
Energy: 1.1740018191977872
Energy: 1.4166449597835966
Energy: 1.1929375853696207
Energy: 1.1351947642456208
Energy: 1.1929375853683262
Energy: 1.4166449597842439
Energy: 1.192937585367679
Energy: 1.3580394833004572
Energy: 1.1613303368305474
Energy: 1.1433673601144685
Energy: 1.1613303368305474
Energy: 1.3580394833011045
Energy: 1.1613303368337837
Energy: 1.1331228892042315
Energy: 1.2171107745718497
Energy: 1.1750155694689441
Energy: 1.2171107745718497
Energy: 1.133122889203584
Energy: 1.2171107745718497
Energy: 1.1370987696847743
Energy: 1.1723178825631748
Energy: 1.1469371156002932
Energy: 1.1723178825644691
Energy: 1.1370987696854216
Energy: 1.1723178825644691
Energy: 1.2414915235973134
Energy: 1.5591020904962167
Energy: 1.7054797092178482
Energy: 1.5591020904949224
Energy: 1.2414915235901935
Energy: 1.5591020904949224
Energy: 1.1352893669259205
Energy: 1.1718219556129639
Energy: 1.448792165153558
Energy: 1.1718219556123166
Energy: 1.1352893669259205
Energy: 1.1718219556116694
Energy: 1.133891653205663
Energy: 1.212444067859601
Energy: 1.1750523635330972
Energy: 1.2124440678602482
Energy: 1.133891653205663
Energy: 1.2124440678602482
Energy: 1.3583975048245165
Energy: 1.1610431686939398
Energy: 1.1437639648643574
Energy: 1.1610431686958813
Energy: 1.3583975048238695
Energy: 1.1610431686958813
Energy: 1.457825288715634
Energy: 1.192937585367679
Energy: 1.1347346888023384
Energy: 1.192937585367679
Energy: 1.4578252887149867
Energy: 1.192937585367679

minimum gb energy = 1.1326083623777798 eV
minimum distance =  2.2273904736143 Angstroms
sigma value = 57


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

Energy: 1.4977145998198313
Energy: 1.3595055890736873
Energy: 1.6770723223760848
Energy: 1.359505589074741
Energy: 1.4977145998198313
Energy: 1.359505589074741
Energy: 1.3018338531483402
Energy: 1.1556850728790051
Energy: 1.1555007845574414
Energy: 1.155685072880059
Energy: 1.3018338531483402
Energy: 1.155685072880059
Energy: 1.1572192462653228
Energy: 1.2289562574695487
Energy: 1.217589681658792
Energy: 1.2289562574695487
Energy: 1.1572192462653228
Energy: 1.2289562574695487
Energy: 1.2791156816545977
Energy: 1.23797291938729
Energy: 1.4500983623662485
Energy: 1.23797291938729
Energy: 1.2791156816535436
Energy: 1.23797291938729
Energy: 1.1072627098421128
Energy: 1.1951796578342726
Energy: 1.4791664199726728
Energy: 1.1951796578342726
Energy: 1.1072627098421128
Energy: 1.1951796578342726
Energy: 1.4038476332413192
Energy: 1.239344818867036
Energy: 1.4501874997092417
Energy: 1.239344818867036
Energy: 1.4038476332413192
Energy: 1.239344818867036
Energy: 1.1593008239807716
Energy: 1.2396476693879157
Energy: 1.160524636489826
Energy: 1.2396476693868619
Energy: 1.1593008239807716
Energy: 1.2396476693879157
Energy: 1.105982894183295
Energy: 1.2315112001604258
Energy: 1.1553796463618056
Energy: 1.2315112001614796
Energy: 1.105982894183295
Energy: 1.2315112001614796
Energy: 1.3044038414941732
Energy: 1.1081082947611807
Energy: 1.1626443566795754
Energy: 1.1081082947485343
Energy: 1.3044038414941732
Energy: 1.1081082947527499
Energy: 1.374931298313312
Energy: 1.155637452765055
Energy: 1.1574432222169675
Energy: 1.155637452765055
Energy: 1.374931298313312
Energy: 1.155637452765055
Energy: 1.1594599699597727
Energy: 1.1077256287987867
Energy: 1.4424616738099716
Energy: 1.1077256287987867
Energy: 1.159459969958719
Energy: 1.1077256288008943
Energy: 1.2153739078944512
Energy: 1.2387786323402872
Energy: 1.4469930760643583
Energy: 1.2387786323413408
Energy: 1.2153739078933976
Energy: 1.2387786323423948
Energy: 1.111739387728818
Energy: 1.2410181551389385
Energy: 1.444358841633103
Energy: 1.2410181551389385
Energy: 1.111739387728818
Energy: 1.2410181551378845
Energy: 1.3968891894759365
Energy: 1.3034687716404696
Energy: 1.447240576488601
Energy: 1.3034687716394155
Energy: 1.3968891894759365
Energy: 1.3034687716394155
Energy: 1.166542861814537
Energy: 1.2411342081820005
Energy: 1.1597307797746859
Energy: 1.2411342081830543
Energy: 1.166542861814537
Energy: 1.2411342081830543
Energy: 1.3783713930289794
Energy: 1.1793568673627703
Energy: 1.1594723473840443
Energy: 1.1793568674206851
Energy: 1.3783713930289794
Energy: 1.1793568673775243
Energy: 1.4921595120738091
Energy: 1.2369627101369847
Energy: 1.160269014862255
Energy: 1.2369627101380383
Energy: 1.4921595120738091
Energy: 1.2369627101380383
Energy: 1.453617327339536
Energy: 1.3035114802397787
Energy: 1.1639875423205117
Energy: 1.303511480237671
Energy: 1.453617327339536
Energy: 1.3035114802366172
Energy: 1.1668927687509103
Energy: 1.1081023939711419
Energy: 1.4455308047911315
Energy: 1.1081023939732493
Energy: 1.1668927687509103
Energy: 1.1081023939721957
Energy: 1.237919860977345
Energy: 1.2302532512474198
Energy: 1.4512016456570977
Energy: 1.2302532512474198
Energy: 1.2379198609794528
Energy: 1.2302532512484736
Energy: 1.1164269955866002
Energy: 1.2384712899075192
Energy: 1.4543848364791199
Energy: 1.2384712899075192
Energy: 1.1164269955866002
Energy: 1.238471289908573
Energy: 1.1581429267797605
Energy: 1.107578404610791
Energy: 1.4447496563336746
Energy: 1.107578404609737
Energy: 1.1581429267797605
Energy: 1.107578404610791
Energy: 1.1697831156532221
Energy: 1.2297769029288808
Energy: 1.1632217198713688
Energy: 1.2297769029267729
Energy: 1.1697831156532221
Energy: 1.2297769029267729
Energy: 1.3167476925165105
Energy: 1.6004120988005643
Energy: 1.1632813481382478
Energy: 1.6004120987995103
Energy: 1.3167476925165105
Energy: 1.6004120987995103
Energy: 1.3030152761429252
Energy: 1.2557972255306993
Energy: 1.1628404274999251
Energy: 1.2557972255328071
Energy: 1.3030152761429252
Energy: 1.2557972255328071
Energy: 1.1706823780021205
Energy: 1.2400897165885363
Energy: 1.1631457506953946
Energy: 1.2400897165874825
Energy: 1.1706823780021205
Energy: 1.2400897165843212
Energy: 1.169368210530533
Energy: 1.106701192490684
Energy: 1.448107432143373
Energy: 1.106701192490684
Energy: 1.1693682105294791
Energy: 1.10670119248963

minimum gb energy = 1.105982894183295 eV
minimum distance =  2.30289530937589 Angstroms
sigma value = 43


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

Energy: 1.3614965341407979
Energy: 1.1784461006630118
Energy: 1.3497920944523605
Energy: 1.1784461006630118
Energy: 1.361496534141566
Energy: 1.1784461006637796
Energy: 1.2328437361559939
Energy: 1.1757197345442454
Energy: 1.1581019173669094
Energy: 1.1757197345434776
Energy: 1.232843736155226
Energy: 1.1757197345442454
Energy: 1.1573376897852863
Energy: 1.3102394371547943
Energy: 1.1581480521228285
Energy: 1.3102394371555623
Energy: 1.1573376897845182
Energy: 1.3102394371555623
Energy: 1.3688285116657093
Energy: 1.1580954229898925
Energy: 1.307228849632846
Energy: 1.1580954229883567
Energy: 1.3688285116657093
Energy: 1.1580954229883567
Energy: 1.156982989275989
Energy: 1.2335394795181742
Energy: 1.2779262489839809
Energy: 1.2335394795174062
Energy: 1.156982989275989
Energy: 1.2335394795174062
Energy: 1.290147133156053
Energy: 1.2892660055595595
Energy: 1.1783524238932392
Energy: 1.2892660055587915
Energy: 1.290147133156053
Energy: 1.2892660055587915
Energy: 1.179981981722751
Energy: 1.2897428926493042
Energy: 1.1760416596518477
Energy: 1.2897428926493042
Energy: 1.179981981722751
Energy: 1.2897428926493042
Energy: 1.2999429003009035
Energy: 1.23372812917452
Energy: 1.1564291213797144
Energy: 1.23372812917452
Energy: 1.2999429003009035
Energy: 1.23372812917452
Energy: 1.308245355639817
Energy: 1.157439960207313
Energy: 1.3128313334632649
Energy: 1.1574399602080812
Energy: 1.308245355639817
Energy: 1.157439960207313
Energy: 1.3986674252698184
Energy: 1.3115987964799292
Energy: 1.1615590476703501
Energy: 1.3115987964799292
Energy: 1.3986674252698184
Energy: 1.3115987964799292
Energy: 1.15970537317321
Energy: 1.2284028215150196
Energy: 1.5287560122496924
Energy: 1.2284028215150196
Energy: 1.15970537317321
Energy: 1.2284028215157874
Energy: 1.1759737260557597
Energy: 1.1781779935239047
Energy: 1.364947364576247
Energy: 1.1781779935246726
Energy: 1.1759737260557597
Energy: 1.1781779935254406
Energy: 1.1578701224632646
Energy: 1.1764304804397356
Energy: 1.3063322028573905
Energy: 1.1764304804397356
Energy: 1.1578701224624968
Energy: 1.1764304804397356
Energy: 1.306890944930888
Energy: 1.1574542356616182
Energy: 1.1615614733285449
Energy: 1.1574542356631539
Energy: 1.306890944930888
Energy: 1.1574542356631539
Energy: 1.3126497181982848
Energy: 1.1588292110237008
Energy: 1.1737154663123408
Energy: 1.1588292110244685
Energy: 1.3126497181982848
Energy: 1.1588292110244685
Energy: 1.2907510726393157
Energy: 1.307030074360391
Energy: 1.1551669148949464
Energy: 1.307030074360391
Energy: 1.2907510726393157
Energy: 1.307030074360391
Energy: 1.1775709180622869
Energy: 1.177950279461945
Energy: 1.2907175419167036
Energy: 1.177950279461945
Energy: 1.177570918063055
Energy: 1.177950279461945
Energy: 1.1780109971907236
Energy: 1.2915872319846446
Energy: 1.1775301558985278
Energy: 1.2915872319854125
Energy: 1.1780109971914914
Energy: 1.2915872319846446
Energy: 1.1735589618957263
Energy: 1.1770045537949765
Energy: 1.306796310877066
Energy: 1.1770045537957443
Energy: 1.1735589618957263
Energy: 1.1770045537949765
Energy: 1.1572496558425338
Energy: 1.2885974306387107
Energy: 1.30706099886275
Energy: 1.2885974306387107
Energy: 1.1572496558425338
Energy: 1.2885974306387107
Energy: 1.157370415146771
Energy: 1.3131600285407874
Energy: 1.1754412733864152
Energy: 1.3131600285407874
Energy: 1.157370415146771
Energy: 1.3131600285415554
Energy: 1.6797909258392936
Energy: 1.1635907039868478
Energy: 1.1577917058274094
Energy: 1.1635907039876159
Energy: 1.6797909258392936
Energy: 1.1635907039876159
Energy: 1.7974349790489008
Energy: 1.1562666194519111
Energy: 1.175237780172516
Energy: 1.1562666194503755
Energy: 1.7974349790489008
Energy: 1.156266619451143
Energy: 1.1571450771118514
Energy: 1.302113423647076
Energy: 1.175065966542706
Energy: 1.302113423647076
Energy: 1.1571450771126193
Energy: 1.302113423647076
Energy: 1.1574661084163225
Energy: 1.2998699333890866
Energy: 1.307056923868719
Energy: 1.2998699333898545
Energy: 1.1574661084163225
Energy: 1.2998699333898545
Energy: 1.1732303433706666
Energy: 1.3310678019538305
Energy: 1.306915013295005
Energy: 1.3310678019545983
Energy: 1.1732303433706666
Energy: 1.3310678019545983
Energy: 1.175427420085984
Energy: 1.4972156322212822
Energy: 1.2900379690449815
Energy: 1.4972156322205143
Energy: 1.175427420085984
Energy: 1.4972156322212822
Energy: 1.289944397136562
Energy: 1.276786767179229
Energy: 1.2899982286347313
Energy: 1.276786767179229
Energy: 1.289944397136562
Energy: 1.276786767179997
Energy: 1.2897890374872374
Energy: 1.4972060252696497
Energy: 1.1674256026767196
Energy: 1.4972060252696497
Energy: 1.2897890374872374
Energy: 1.4972060252696497
Energy: 1.306723966208764
Energy: 1.3312740905986133
Energy: 1.1730376646044265
Energy: 1.3312740905986133
Energy: 1.306723966208764
Energy: 1.3312740905986133
Energy: 1.3068400706114127
Energy: 1.2998741338345177
Energy: 1.1574385077528893
Energy: 1.2998741338345177
Energy: 1.3068400706114127
Energy: 1.2998741338345177
Energy: 1.1750348269701385
Energy: 1.3021608879257982
Energy: 1.1570392286206772
Energy: 1.3021608879250302
Energy: 1.1750348269701385
Energy: 1.3021608879250302
Energy: 1.1752143148495164
Energy: 1.1563013135516724
Energy: 1.6905204483321015
Energy: 1.1563013135509046
Energy: 1.1752143148495164
Energy: 1.1563013135509046
Energy: 1.1580507034464111
Energy: 1.1634775300604219
Energy: 1.6796649865746618
Energy: 1.1634775300588862
Energy: 1.1580507034456433
Energy: 1.1634775300588862
Energy: 1.1754486054491455
Energy: 1.3131341262180907
Energy: 1.157297120723741
Energy: 1.3131341262188587
Energy: 1.1754486054491455
Energy: 1.3131341262188587
Energy: 1.306920801969276
Energy: 1.2886047726453465
Energy: 1.1572578156071787
Energy: 1.2886047726461145
Energy: 1.306920801969276
Energy: 1.2886047726461145

minimum gb energy = 1.1551669148949464 eV
minimum distance =  2.28516329167221 Angstroms
sigma value = 81


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

Energy: 1.1973451794457102
Energy: 1.19827936339453
Energy: 2.074474276388882
Energy: 1.1982793633948183
Energy: 1.1973451794457102
Energy: 1.1982793633948183
Energy: 1.1987501032823316
Energy: 1.1981364812944089
Energy: 1.1973659798329974
Energy: 1.1981364812946653
Energy: 1.1987501032817545
Energy: 1.1981364812944089
Energy: 1.197365108869436
Energy: 1.1982856451386321
Energy: 1.1799798088681683
Energy: 1.1982856451383757
Energy: 1.1973651088697244
Energy: 1.1982856451383757
Energy: 2.074474276388882
Energy: 1.1982793633939848
Energy: 1.1973451794454217
Energy: 1.19827936339453
Energy: 2.074474276388882
Energy: 1.19827936339453
Energy: 1.1973659798327088
Energy: 1.1981364812946653
Energy: 1.1987501032837422
Energy: 1.1981364812946653
Energy: 1.1973659798327088
Energy: 1.1981364812946653
Energy: 1.612020383075726
Energy: 1.1982856451392092
Energy: 1.197365108869436
Energy: 1.1982856451383757
Energy: 1.612020383075726
Energy: 1.1982856451386321
Energy: 1.1973451794459988
Energy: 1.1982793633948183
Energy: 1.7274548005916859
Energy: 1.19827936339453
Energy: 1.1973451794457102
Energy: 1.1982793633948183
Energy: 1.1987501032851526
Energy: 1.1981364812944089
Energy: 1.1973659798327088
Energy: 1.1981364812944089
Energy: 1.19875010328573
Energy: 1.1981364812944089
Energy: 1.1973651088697244
Energy: 1.1982856451386321
Energy: 1.6120203830754696
Energy: 1.1982856451386321
Energy: 1.1973651088697244
Energy: 1.1982856451383757
Energy: 1.368371340942048
Energy: 1.1982793633942734
Energy: 1.1973451794457102
Energy: 1.1982793633942734
Energy: 1.36837134094317
Energy: 1.1982793633942734

minimum gb energy = 1.1799798088681683 eV
minimum distance =  2.25587287095243 Angstroms
sigma value = 3


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

Energy: 1.6281799659345448
Energy: 1.159290643921866
Energy: 1.1989730847841982
Energy: 1.1592906439235546
Energy: 1.6281799659337004
Energy: 1.1592906439235546
Energy: 1.1581658344910373
Energy: 1.182440496160452
Energy: 1.127705997869227
Energy: 1.1824404961621406
Energy: 1.158165834492726
Energy: 1.1824404961621406
Energy: 1.1485249390948187
Energy: 1.1489164916384376
Energy: 1.1440592751760896
Energy: 1.1489164916392818
Energy: 1.1485249390948187
Energy: 1.1489164916392818
Energy: 1.1486028808088486
Energy: 1.1331642795990733
Energy: 1.186519301908024
Energy: 1.1331642795999175
Energy: 1.1486028807641018
Energy: 1.133164279598229
Energy: 1.160843599272779
Energy: 1.1591760054537603
Energy: 1.1284551633067001
Energy: 1.1591760054537603
Energy: 1.160843599272779
Energy: 1.1591760054537603
Energy: 1.3705043230746785
Energy: 1.2227430637631276
Energy: 1.1303292038325057
Energy: 1.2227430637648162
Energy: 1.3705043230746785
Energy: 1.2227430637648162
Energy: 1.1610912870857182
Energy: 1.1593412994604264
Energy: 1.1812665907521847
Energy: 1.1593412994604264
Energy: 1.1610912870857182
Energy: 1.1593412994604264
Energy: 1.1596887506829914
Energy: 1.3580871062040045
Energy: 1.1905056009709043
Energy: 1.3580871062056934
Energy: 1.1596887506829914
Energy: 1.3580871062048487
Energy: 1.1490620655939574
Energy: 1.148460116847808
Energy: 1.5820472167455781
Energy: 1.148460116847808
Energy: 1.1490620655939574
Energy: 1.148460116847808
Energy: 1.149674296788487
Energy: 1.1833841607952489
Energy: 1.1274755394745801
Energy: 1.1833841607935605
Energy: 1.149674296788487
Energy: 1.1833841607935605
Energy: 1.611908725574841
Energy: 1.1285290617813433
Energy: 1.1830519911596584
Energy: 1.1285290617804988
Energy: 1.611908725574841
Energy: 1.1285290617804988
Energy: 1.6147676886714983
Energy: 1.2434815325015025
Energy: 1.1272068312301058
Energy: 1.243481532500658
Energy: 1.614767688670654
Energy: 1.243481532500658
Energy: 1.1496794215439705
Energy: 1.2597212155532418
Energy: 1.1276884337548447
Energy: 1.2597212155523978
Energy: 1.1496794215439705
Energy: 1.2597212155523978
Energy: 1.1511910629167177
Energy: 1.2559588880657824
Energy: 1.1859164651601823
Energy: 1.2559588880683152
Energy: 1.1511910629167177
Energy: 1.255958888067471
Energy: 1.1591584388447802
Energy: 1.2486320884157438
Energy: 1.1853657267436577
Energy: 1.2486320884157438
Energy: 1.1591584388447802
Energy: 1.2486320884157438
Energy: 1.1597087838939606
Energy: 1.1833550057355207
Energy: 1.1281991900101567
Energy: 1.1833550057355207
Energy: 1.1597087838939606
Energy: 1.1833550057346762
Energy: 1.1593805162847948
Energy: 1.1834598157902065
Energy: 1.128308366492142
Energy: 1.1834598157902065
Energy: 1.1593805162847948
Energy: 1.1834598157902065
Energy: 1.1592517943754463
Energy: 1.2789612759642432
Energy: 1.1860073445586619
Energy: 1.2789612759642432
Energy: 1.1592517943754463
Energy: 1.2789612759650875
Energy: 1.149260955652854
Energy: 1.257031871263221
Energy: 1.1859961158577057
Energy: 1.257031871263221
Energy: 1.149260955652854
Energy: 1.257031871263221
Energy: 1.1496795851404662
Energy: 1.1846511600082716
Energy: 1.1279620988383505
Energy: 1.184651160006583
Energy: 1.1496795851404662
Energy: 1.184651160006583
Energy: 1.6121331982702427
Energy: 1.2421915006666162
Energy: 1.12733438655497
Energy: 1.2421915006657718
Energy: 1.6121331982702427
Energy: 1.2421915006657718
Energy: 1.6102988483630292
Energy: 1.2417155671650542
Energy: 1.1830076386496111
Energy: 1.2417155671650542
Energy: 1.6102988483630292
Energy: 1.2417155671650542
Energy: 1.1492140840899787
Energy: 1.1836744209687766
Energy: 1.127669253493403
Energy: 1.183674420969621
Energy: 1.1492140840891345
Energy: 1.183674420969621
Energy: 1.1490218390844775
Energy: 1.1485975429452915
Energy: 1.5931939255574106
Energy: 1.1485975429436026
Energy: 1.1490218390844775
Energy: 1.1485975429436026
Energy: 1.1600231654182687
Energy: 1.2821706260298793
Energy: 1.1856979606885616
Energy: 1.2821706260298793
Energy: 1.1600231654182687
Energy: 1.2821706260298793
Energy: 1.1633398906725214
Energy: 1.1495753896895953
Energy: 1.2227397195410556
Energy: 1.1495753896887508
Energy: 1.1633398906725214
Energy: 1.1495753896887508
Energy: 1.1604443651791732
Energy: 1.1829107384085396
Energy: 1.1302508185121738
Energy: 1.1829107384076956
Energy: 1.1604443651791732
Energy: 1.1829107384076956
Energy: 1.1633950544279439
Energy: 1.244231485821646
Energy: 1.1302355010746965
Energy: 1.2442314858208017
Energy: 1.1633950544279439
Energy: 1.244231485821646
Energy: 1.2590134038891507
Energy: 1.1276938360652167
Energy: 1.1881754387616141
Energy: 1.1276938360643725
Energy: 1.2590134038899952
Energy: 1.1276938360652167
Energy: 1.1492384595117187
Energy: 1.1488860185405314
Energy: 1.3532733315991503
Energy: 1.1488860185396872
Energy: 1.1492384595117187
Energy: 1.1488860185396872
Energy: 1.2205117422958218
Energy: 1.182745247191202
Energy: 1.1296263862048719
Energy: 1.1827452471895135
Energy: 1.220511742296666
Energy: 1.1827452471895135
Energy: 1.6095383481507624
Energy: 1.1594237096993716
Energy: 1.1810360652321117
Energy: 1.15942370970106
Energy: 1.6095383481507624
Energy: 1.1594237097002156
Energy: 1.1558570649282736
Energy: 1.1823171817328813
Energy: 1.1270837530815425
Energy: 1.182317181732037
Energy: 1.1558570649282736
Energy: 1.182317181732037

minimum gb energy = 1.1270837530815425 eV
minimum distance =  2.24405290112854 Angstroms
sigma value = 67


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

Energy: 1.3277351954404106
Energy: 1.1817472692730406
Energy: 1.6090874022881525
Energy: 1.1817472692742437
Energy: 1.3277351954404106
Energy: 1.1817472692742437
Energy: 1.1467012698031462
Energy: 1.1023299492520318
Energy: 1.1079591388300631
Energy: 1.1023299492520318
Energy: 1.1467012698223942
Energy: 1.1023299492520318
Energy: 1.1018377566552617
Energy: 1.1723392919294695
Energy: 1.0975637700375236
Energy: 1.1723392919294695
Energy: 1.1018377566552617
Energy: 1.1723392919294695
Energy: 1.484322404682094
Energy: 1.1729502581596012
Energy: 1.2539648798410286
Energy: 1.1729502581583982
Energy: 1.484322404682094
Energy: 1.1729502581571953
Energy: 1.2531236203832707
Energy: 1.1689222766114127
Energy: 1.139057812336254
Energy: 1.1689222766114127
Energy: 1.2531236203844738
Energy: 1.1689222766114127
Energy: 1.2536954814459829
Energy: 1.1009920453719846
Energy: 1.091963971413328
Energy: 1.1009920453707815
Energy: 1.2536954814459829
Energy: 1.1009920453707815
Energy: 1.1223241228566239
Energy: 1.1009522600893757
Energy: 1.1018300302897719
Energy: 1.1009522600905788
Energy: 1.1223241228566239
Energy: 1.1009522600893757
Energy: 1.2512847605316173
Energy: 1.4375978039169128
Energy: 1.6567962145321835
Energy: 1.4375978039169128
Energy: 1.2512847605316173
Energy: 1.4375978039169128
Energy: 1.2547673960643209
Energy: 1.1015427229906922
Energy: 1.6467316961160248
Energy: 1.1015427229918955
Energy: 1.2547673960643209
Energy: 1.1015427229930983
Energy: 1.2527879394340538
Energy: 1.1014977758297653
Energy: 1.1053564962212679
Energy: 1.1014977758297653
Energy: 1.2527879394352568
Energy: 1.1014977758297653
Energy: 1.257364577650278
Energy: 1.101720164784284
Energy: 1.1036414961182366
Energy: 1.101720164784284
Energy: 1.257364577650278
Energy: 1.1017201647830808
Energy: 1.2541706699359718
Energy: 1.1655045141890943
Energy: 1.2532801943390448
Energy: 1.1655045141890943
Energy: 1.2541706699359718
Energy: 1.1655045141890943
Energy: 1.1031367092912432
Energy: 1.1025148358778845
Energy: 1.2572815610935606
Energy: 1.1025148358790875
Energy: 1.1031367092900402
Energy: 1.1025148358790875
Energy: 1.1078059462957748
Energy: 1.105680703081006
Energy: 1.2530924173349427
Energy: 1.105680703081006
Energy: 1.1078059462957748
Energy: 1.105680703081006
Energy: 1.317372895238421
Energy: 1.3008769106416782
Energy: 1.2549210794125107
Energy: 1.300876910642881
Energy: 1.317372895238421
Energy: 1.300876910642881
Energy: 1.3435900722995573
Energy: 1.3267256346234135
Energy: 1.2507675040299817
Energy: 1.3267256346222105
Energy: 1.3435900721841247
Energy: 1.3267256346222105
Energy: 1.102502243343063
Energy: 1.1007559161896094
Energy: 1.0944974979864721
Energy: 1.1007559161908127
Energy: 1.102502243343063
Energy: 1.1007559161908127
Energy: 1.0944102541291445
Energy: 1.1011236498821781
Energy: 1.2535535240266062
Energy: 1.101123649880975
Energy: 1.0944102541291445
Energy: 1.101123649880975
Energy: 1.138233886918744
Energy: 1.1815775500856909
Energy: 1.2531071080683716
Energy: 1.1815775500880967
Energy: 1.138233886918744
Energy: 1.181577550074864
Energy: 1.2543404690156572
Energy: 1.1027773318933796
Energy: 1.3404338320354543
Energy: 1.1027773318921765
Energy: 1.2543404690156572
Energy: 1.1027773318945824
Energy: 1.2469979740640773
Energy: 1.136647768980988
Energy: 1.08639025549936
Energy: 1.1366477689785819
Energy: 1.2469979740628743
Energy: 1.1366477689797847
Energy: 1.1096260058102612
Energy: 1.1018852523334455
Energy: 1.3206402159720028
Energy: 1.1018852523358513
Energy: 1.1096260058114642
Energy: 1.1018852523346483
Energy: 1.359131878517675
Energy: 1.0909930720418852
Energy: 1.1486837949594966
Energy: 1.0909930720406824
Energy: 1.359131878517675
Energy: 1.0909930720406824

minimum gb energy = 1.08639025549936 eV
minimum distance =  2.26994475106002 Angstroms
sigma value = 33


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

Energy: 1.4334315386754715
Energy: 1.0677757236364573
Energy: 1.5842631366585507
Energy: 1.0677757236372207
Energy: 1.4334315386762349
Energy: 1.0677757236364573
Energy: 1.4927109549677589
Energy: 1.0490221640850044
Energy: 1.027548262541049
Energy: 1.049022164086531
Energy: 1.4927109549677589
Energy: 1.0490221640857675
Energy: 1.031543118328263
Energy: 1.109384450553725
Energy: 1.4913246356784136
Energy: 1.1093844505529618
Energy: 1.031543118328263
Energy: 1.1093844505529618
Energy: 1.1090382715397429
Energy: 1.027948895354267
Energy: 1.0436418120506536
Energy: 1.027948895354267
Energy: 1.1090382715404716
Energy: 1.0279488953557936
Energy: 1.372934030530968
Energy: 1.0284595336560265
Energy: 1.35691248882639
Energy: 1.0284595336545002
Energy: 1.372934030530968
Energy: 1.028459533663658
Energy: 1.3687976487542035
Energy: 1.0500495312467453
Energy: 1.0346032839070758
Energy: 1.1564817083735386
Energy: 1.3687976487534403
Energy: 1.0500495312467453
Energy: 1.0322599538668673
Energy: 1.049091338111337
Energy: 1.0563075186164295
Energy: 1.0490913381121
Energy: 1.0322599538661044
Energy: 1.049091338111337
Energy: 1.0510318711991475
Energy: 1.027466619494849
Energy: 1.3698731635831578
Energy: 1.0274666194940858
Energy: 1.0510318711991475
Energy: 1.0274666194933226
Energy: 1.3582600853081004
Energy: 1.2824585162445714
Energy: 1.3708583027967853
Energy: 1.2824585162445714
Energy: 1.3582600853081004
Energy: 1.2824585162445714
Energy: 1.04650840141767
Energy: 1.0497926925731804
Energy: 1.0345495322358313
Energy: 1.0497926925731804
Energy: 1.0465084014184334
Energy: 1.1110698844419054
Energy: 1.034931467228544
Energy: 1.050418768592447
Energy: 1.0534644041421408
Energy: 1.050418768592447
Energy: 1.034931467228544
Energy: 1.050418768592447
Energy: 1.0309495574130056
Energy: 1.1091624653122087
Energy: 1.4943047243654406
Energy: 1.1091624653114456
Energy: 1.0309495574130056
Energy: 1.1091624653122087
Energy: 1.3791978099616595
Energy: 1.3611021538557222
Energy: 1.4178533918033196
Energy: 1.3611021538541956
Energy: 1.3791978099624227
Energy: 1.361102153854959
Energy: 1.0278856365319229
Energy: 1.049947490115737
Energy: 1.0359618194375748
Energy: 1.049947490114974
Energy: 1.0278856365319229
Energy: 1.049947490115737
Energy: 1.3571842662399756
Energy: 1.1091028128417995
Energy: 1.0284060313857408
Energy: 1.1091028128417995
Energy: 1.3571842662399756
Energy: 1.1091028128417995
Energy: 1.04321176184025
Energy: 1.0279767132011675
Energy: 1.5000252706318975
Energy: 1.0279767132011675
Energy: 1.04321176184025
Energy: 1.0279767132019306
Energy: 1.5427628338381907
Energy: 1.0517881159387197
Energy: 1.389234600287366
Energy: 1.0517881159371936
Energy: 1.5427628338381907
Energy: 1.0517881159387197
Energy: 1.0292675203355046
Energy: 1.0487550263273766
Energy: 1.2897292217381235
Energy: 1.0487550263273766
Energy: 1.0292675203355046
Energy: 1.0487550263273766
Energy: 1.2739963799989875
Energy: 1.0486720377454437
Energy: 1.0285671400300658
Energy: 1.0486720377454437
Energy: 1.2739963799997505
Energy: 1.0486720377454437
Energy: 1.3684162419601658
Energy: 1.0288800637520403
Energy: 1.0512229883245103
Energy: 1.0288800637528035
Energy: 1.3684162419601658
Energy: 1.028880063751277
Energy: 1.5145433762411467
Energy: 1.2764257905892924
Energy: 1.0444132556600427
Energy: 1.2764257905892924
Energy: 1.5145433762403835
Energy: 1.2764257905885292
Energy: 1.0296457398206775
Energy: 1.0495250949218897
Energy: 1.3568101960539685
Energy: 1.0495250949218897
Energy: 1.0296457398206775
Energy: 1.0495250949218897
Energy: 1.0571017337936819
Energy: 1.0503856892809484
Energy: 1.0290864073537844
Energy: 1.0503856892824748
Energy: 1.0571017337936819
Energy: 1.0503856892817116
Energy: 1.4150478818722931
Energy: 1.109793166617438
Energy: 1.0281558288109738
Energy: 1.1119854506836506
Energy: 1.4150478818722931
Energy: 1.109793166617438
Energy: 1.4938812897767133
Energy: 1.1080600310632742
Energy: 1.0346868256501536
Energy: 1.1080600310632742
Energy: 1.4938812897774765
Energy: 1.1080600310632742
Energy: 1.055424412911749
Energy: 1.3842428925343984
Energy: 1.0315175111355954
Energy: 1.3842428925343984
Energy: 1.055424412911749
Energy: 1.3842428925343984
Energy: 1.0318391121941404
Energy: 1.049792223038283
Energy: 1.3585759549582712
Energy: 1.049792223038283
Energy: 1.0318391121941404
Energy: 1.049792223038283
Energy: 1.3686060268799907
Energy: 1.271001496753413
Energy: 1.0465038058914842
Energy: 1.2710014967549395
Energy: 1.3686060268799907
Energy: 1.27100149675265
Energy: 1.373170044924247
Energy: 1.028099677534726
Energy: 1.0499097279369671
Energy: 1.028099677534726
Energy: 1.373170044924247
Energy: 1.028099677534726
Energy: 1.0511270622045796
Energy: 1.0487613513330598
Energy: 1.0295919780054519
Energy: 1.0487613513330598
Energy: 1.0511270622045796
Energy: 1.0487613513330598
Energy: 1.0315158606245234
Energy: 1.2593495734627809
Energy: 1.0283522238998601
Energy: 1.2593495734627809
Energy: 1.0315158606245234
Energy: 1.2593495734627809
Energy: 1.3573002999370547
Energy: 1.0519234218596005
Energy: 1.3683366881749273
Energy: 1.0519234218596005
Energy: 1.3573002999378179
Energy: 1.0519234218588374
Energy: 1.043402719622126
Energy: 1.214105971620665
Energy: 1.2154037929037758
Energy: 1.214105971620665
Energy: 1.043402719622126
Energy: 1.2141059716214282
Energy: 1.2887576706834867
Energy: 1.1088583936385308
Energy: 1.0290488799108441
Energy: 1.1088583936377676
Energy: 1.2887576706842498
Energy: 1.1088583936377676
Energy: 1.0275053226291742
Energy: 1.0489925466197991
Energy: 1.2834243633680784
Energy: 1.0489925466205625
Energy: 1.0275053226291742
Energy: 1.0489925466197991
Energy: 1.3797077686050117
Energy: 1.0678279969608004
Energy: 1.412581265117285
Energy: 1.0678279969608004
Energy: 1.3797077686050117
Energy: 1.0678279969600373
Energy: 1.028486654279118
Energy: 1.1097411083014659
Energy: 1.4933330500455442
Energy: 1.1097411083014659
Energy: 1.028486654279118
Energy: 1.1097411083014659

minimum gb energy = 1.0274666194933226 eV
minimum distance =  2.2694033350629 Angstroms
sigma value = 41


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

Energy: 0.8898619721933718
Energy: 0.8642621004243685
Energy: 1.7669011927745581
Energy: 0.8642621004243685
Energy: 0.8898619721933718
Energy: 0.8642621004243685
Energy: 1.523127021051887
Energy: 0.8629059799065492
Energy: 0.8643810316584835
Energy: 0.8629059799044655
Energy: 1.523127021051887
Energy: 0.8629059799044655
Energy: 0.890233004406266
Energy: 1.0972109148209817
Energy: 1.1164870632143546
Energy: 1.0972109148209817
Energy: 0.890233004406266
Energy: 1.0972109148230655
Energy: 1.5808806055363172
Energy: 0.8631393779864692
Energy: 0.8644700062971256
Energy: 0.8631393779844331
Energy: 1.5808806055363172
Energy: 0.8631393779844331
Energy: 0.8902072728755243
Energy: 0.8630021210074639
Energy: 0.8658088551586955
Energy: 0.8630021210074639
Energy: 0.8902072728755243
Energy: 0.8630021210074639
Energy: 0.8902334949456988
Energy: 0.9062217887834557
Energy: 0.8648961004407925
Energy: 0.9062217887834557
Energy: 0.8902334949456988
Energy: 0.9062217887834557
Energy: 1.5788991955676728
Energy: 0.8632266096884963
Energy: 0.8651280073623
Energy: 0.8632266096905798
Energy: 1.5788991956447203
Energy: 0.8632266096905798
Energy: 0.888586691881661
Energy: 0.8634435876415787
Energy: 0.8656859154109131
Energy: 0.8634435876415787
Energy: 0.888586691881661
Energy: 0.8634435876415787
Energy: 1.5084816017808795
Energy: 0.9059746065075928
Energy: 0.8646884157385932
Energy: 0.9059746065096763
Energy: 1.5084816017808795
Energy: 0.9059746065096763
Energy: 0.8902415446217997
Energy: 0.8633668550887988
Energy: 0.8667980765324284
Energy: 0.8633668550887988
Energy: 0.8902415446217997
Energy: 0.8633668550887988
Energy: 1.5154995325303855
Energy: 0.8631778831846306
Energy: 0.864594028100407
Energy: 0.8631778831867143
Energy: 1.5154995325303855
Energy: 0.8631778831867143
Energy: 0.8903234729275005
Energy: 1.0969373650175993
Energy: 1.4915981343503284
Energy: 1.0969373650175993
Energy: 0.8903234729275005
Energy: 1.0969373650175993
Energy: 1.5155012090344004
Energy: 0.8631921704059322
Energy: 0.8645884111210592
Energy: 0.8631921704080157
Energy: 1.5155012090344004
Energy: 0.8631921704080157
Energy: 0.8902331928592969
Energy: 0.8632519173123406
Energy: 0.8667998153556866
Energy: 0.8632519173123406
Energy: 0.8902331928592969
Energy: 0.8632519173123406

minimum gb energy = 0.8629059799044655 eV
minimum distance =  2.35507091242926 Angstroms
sigma value = 11


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

Energy: 1.5119464072720188
Energy: 1.1888030112588182
Energy: 1.5119172850600227
Energy: 1.1888030112588182
Energy: 1.5119464072720188
Energy: 1.1888030112588182
Energy: 1.125692606891409
Energy: 1.151168703771448
Energy: 1.1245712195234177
Energy: 1.1511687037723635
Energy: 1.1256926069005626
Energy: 1.1511687037723635
Energy: 1.1250543752138409
Energy: 1.2283261593205337
Energy: 1.1249639598411383
Energy: 1.2283261593205337
Energy: 1.1250543752138409
Energy: 1.2283261593214492
Energy: 1.150823941015082
Energy: 1.1513719221903431
Energy: 1.1245806341800892
Energy: 1.1513719221903431
Energy: 1.150823941015082
Energy: 1.1513719221903431
Energy: 1.124696634625336
Energy: 1.2232757912059569
Energy: 1.1508013305511944
Energy: 1.2232757912059569
Energy: 1.1246966346262512
Energy: 1.2232757912059569
Energy: 1.1584468279923072
Energy: 1.2120727638582036
Energy: 1.124568302375407
Energy: 1.2120727638572881
Energy: 1.1584468279923072
Energy: 1.2120727638582036
Energy: 1.150915932174119
Energy: 1.2239938324235557
Energy: 1.1546766681260472
Energy: 1.2239938324235557
Energy: 1.150915932174119
Energy: 1.2239938324235557
Energy: 1.1259810505909775
Energy: 1.1523505933061033
Energy: 1.1246617725627328
Energy: 1.1523505933061033
Energy: 1.1259810505909775
Energy: 1.1523505933051879
Energy: 1.1256537122266914
Energy: 1.236364100453759
Energy: 1.1243270557929814
Energy: 1.236364100453759
Energy: 1.1256537122266914
Energy: 1.236364100453759
Energy: 1.124280968997186
Energy: 1.151184312849007
Energy: 1.1511974151232793
Energy: 1.1511843128499224
Energy: 1.1242809689962705
Energy: 1.1511843128499224
Energy: 1.1528613334386506
Energy: 1.124685479279897
Energy: 1.1556491336898473
Energy: 1.1246854792808125
Energy: 1.1528613334395659
Energy: 1.124685479279897
Energy: 1.1259205837920485
Energy: 1.2122600535898311
Energy: 1.1554301518941514
Energy: 1.2122600535898311
Energy: 1.1259205837920485
Energy: 1.2122600535898311
Energy: 1.1248095255153754
Energy: 1.1512806575950014
Energy: 1.1394814788353238
Energy: 1.1512806575950014
Energy: 1.1248095255153754
Energy: 1.1512806575940862
Energy: 1.151947869081019
Energy: 1.2382871681638052
Energy: 1.151908372633291
Energy: 1.23828716816289
Energy: 1.151947869081019
Energy: 1.2382871681638052
Energy: 1.1244974928937943
Energy: 1.4674264895997093
Energy: 1.1270914839916766
Energy: 1.4674264895997093
Energy: 1.1244974928937943
Energy: 1.4674264895997093
Energy: 1.1539112911149254
Energy: 1.1291475484985483
Energy: 1.1547253633396444
Energy: 1.1291475484985483
Energy: 1.1539112911149254
Energy: 1.129147548497633
Energy: 1.154748820273115
Energy: 1.2224544990467874
Energy: 1.1252053599277274
Energy: 1.222454499045872
Energy: 1.154748820273115
Energy: 1.222454499045872
Energy: 1.1246052085924412
Energy: 1.46757767418301
Energy: 1.1241978210721064
Energy: 1.46757767418301
Energy: 1.1246052085915257
Energy: 1.46757767418301
Energy: 1.1510847955993337
Energy: 1.1514228405397966
Energy: 1.1513413854798242
Energy: 1.1514228405397966
Energy: 1.1510847955993337
Energy: 1.1514228405397966
Energy: 1.1245464905638916
Energy: 1.1514905526787713
Energy: 1.1270716745723652
Energy: 1.1514905526787713
Energy: 1.1245464905638916
Energy: 1.1514905526787713
Energy: 1.1553285616238582
Energy: 1.211961835804988
Energy: 1.1251554150957597
Energy: 1.211961835804988
Energy: 1.1553285616238582
Energy: 1.211961835804988
Energy: 1.1554658544079257
Energy: 1.1252735916483014
Energy: 1.1519056579933533
Energy: 1.1252735916483014
Energy: 1.1554658544088412
Energy: 1.1252735916483014
Energy: 1.1529208584964032
Energy: 1.1512114677727072
Energy: 1.1604940602093772
Energy: 1.1512114677727072
Energy: 1.1529208584964032
Energy: 1.1512114677727072
Energy: 1.124448552663332
Energy: 1.2363518296596874
Energy: 1.1251426733864252
Energy: 1.2363518296596874
Energy: 1.1244485526624166
Energy: 1.2363518296596874
Energy: 1.1272165924247348
Energy: 1.1888930739063586
Energy: 1.12495057795263
Energy: 1.188893073907274
Energy: 1.1272165924247348
Energy: 1.188893073907274
Energy: 1.154860943163884
Energy: 1.2228417697570788
Energy: 1.1508605518471284
Energy: 1.2228417697570788
Energy: 1.154860943163884
Energy: 1.2228417697570788
Energy: 1.124752544869005
Energy: 1.2120891985960762
Energy: 1.1247518598296313
Energy: 1.2120891985969915
Energy: 1.12475254486992
Energy: 1.2120891985969915
Energy: 1.1508738857134722
Energy: 1.2227235658388427
Energy: 1.1587111704052953
Energy: 1.2227235658388427
Energy: 1.1508738857134722
Energy: 1.2227235658388427
Energy: 1.1250939548154555
Energy: 1.1521297820427723
Energy: 1.1508831811943654
Energy: 1.1521297820427723
Energy: 1.125093954816371
Energy: 1.1521297820427723
Energy: 1.1244619494570531
Energy: 1.1520676979981348
Energy: 1.1261898989761663
Energy: 1.1520676979981348
Energy: 1.1244619494570531
Energy: 1.1520676979981348
Energy: 1.1243880287111452
Energy: 1.1511979776674717
Energy: 1.1261173627384287
Energy: 1.1511979776683872
Energy: 1.1243880287120607
Energy: 1.1511979776683872

minimum gb energy = 1.1241978210721064 eV
minimum distance =  2.24360898678667 Angstroms
sigma value = 57


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

Energy: 1.2633069068691702
Energy: 1.2637157127925527
Energy: 1.5453291096605697
Energy: 1.2637157127925527
Energy: 1.2633069068691702
Energy: 1.2637157127909238
Energy: 1.208655800849805
Energy: 1.2093580221437985
Energy: 1.2081005038438353
Energy: 1.2093580221437985
Energy: 1.208655800849805
Energy: 1.2593208693858244
Energy: 1.2401883205122335
Energy: 1.3309043916578103
Energy: 1.2081058491526622
Energy: 1.3309043916578103
Energy: 1.2401883205122335
Energy: 1.3309043916578103
Energy: 1.2084038380231341
Energy: 1.3528808912581658
Energy: 1.208416260760902
Energy: 1.2844830426324627
Energy: 1.2084038380231341
Energy: 1.3412183070554482
Energy: 1.2081180650060583
Energy: 1.3308818509514184
Energy: 1.2402187587476308
Energy: 1.3308818509514184
Energy: 1.2081180650060583
Energy: 1.3308818509514184
Energy: 1.2080570771005474
Energy: 1.2094396213084901
Energy: 1.2086833085115936
Energy: 1.2094396213084901
Energy: 1.2080570771005474
Energy: 1.2094396213084901
Energy: 1.5453291096605697
Energy: 1.2637157127909238
Energy: 1.2633069068691702
Energy: 1.2637157127925527
Energy: 1.5453291096605697
Energy: 1.2637157127909238
Energy: 1.2081005038454642
Energy: 1.3121271152814091
Energy: 1.208655800849805
Energy: 1.2593208693858244
Energy: 1.2081005038454642
Energy: 1.2093580221437985
Energy: 1.2081058491526622
Energy: 1.3309043916578103
Energy: 1.2401883205122335
Energy: 1.3309043916561816
Energy: 1.2081058491526622
Energy: 1.3309043916561816
Energy: 1.208416260759273
Energy: 1.4635689176929827
Energy: 1.2084038380231341
Energy: 1.3412183070570771
Energy: 1.208416260759273
Energy: 1.2844830426357203
Energy: 1.2402187587476308
Energy: 1.3308818509514184
Energy: 1.2081180650060583
Energy: 1.3308818509514184
Energy: 1.2402187587476308
Energy: 1.3308818509514184
Energy: 1.2086833085115936
Energy: 1.2094396213068612
Energy: 1.2080570771005474
Energy: 1.2094396213084901
Energy: 1.2086833085115936
Energy: 1.2094396213084901
Energy: 1.2633069068691702
Energy: 1.2637157127909238
Energy: 1.450801301373064
Energy: 1.2637157127909238
Energy: 1.2633069068691702
Energy: 1.2637157127909238
Energy: 1.208655800849805
Energy: 1.2593208693858244
Energy: 1.2081005038454642
Energy: 1.2093580221454274
Energy: 1.208655800849805
Energy: 1.2593208693858244
Energy: 1.2401883205106046
Energy: 1.3309043916578103
Energy: 1.2081058491526622
Energy: 1.3309043916578103
Energy: 1.2401883205122335
Energy: 1.3309043916578103
Energy: 1.2084038380231341
Energy: 1.3412183070570771
Energy: 1.208416260759273
Energy: 1.3640896780321323
Energy: 1.2084038380231341
Energy: 1.3412183070538195
Energy: 1.2081180650060583
Energy: 1.3308818509514184
Energy: 1.2402187587476308
Energy: 1.3308818509514184
Energy: 1.2081180650060583
Energy: 1.3308818509514184

minimum gb energy = 1.2080570771005474 eV
minimum distance =  2.25789970753136 Angstroms
sigma value = 9


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

Energy: 1.4217315760034415
Energy: 1.3429487369121353
Energy: 1.4705432226866397
Energy: 1.3429487369121353
Energy: 1.4217315760034415
Energy: 1.3429487369121353
Energy: 1.3173417702749808
Energy: 1.336661228839349
Energy: 1.3374007278823827
Energy: 1.3366612288220594
Energy: 1.3173417702749808
Energy: 1.3366612288739277
Energy: 1.3267047070150517
Energy: 1.3370152536885942
Energy: 1.336629738166862
Energy: 1.3370152536899242
Energy: 1.3267047070150517
Energy: 1.3370152536899242
Energy: 1.3261668107987017
Energy: 1.331760932128765
Energy: 1.3127694785387742
Energy: 1.331760932128765
Energy: 1.3261668107987017
Energy: 1.331760932128765
Energy: 1.2775834388637062
Energy: 1.4437058670384757
Energy: 1.3070794369850447
Energy: 1.4437058670371457
Energy: 1.2775834388623761
Energy: 1.4437058670371457
Energy: 1.3259790132164864
Energy: 1.3269514397683024
Energy: 1.336988857827553
Energy: 1.3269514397656426
Energy: 1.3259790132164864
Energy: 1.3269514397656426
Energy: 1.3263833856273077
Energy: 1.4775643055546424
Energy: 1.3380009413994836
Energy: 1.4775643055559722
Energy: 1.3263833856259777
Energy: 1.4775643055559722
Energy: 1.2946938241954602
Energy: 1.3866990208666696
Energy: 1.3378612995239394
Energy: 1.3866990208666696
Energy: 1.2946938241954602
Energy: 1.3866990208666696
Energy: 1.2921372732466032
Energy: 1.4586446703837115
Energy: 1.3169184970620165
Energy: 1.4586446703837115
Energy: 1.2921372732466032
Energy: 1.4586446703837115
Energy: 1.3442353154725548
Energy: 1.4758677231430135
Energy: 1.3365977679587568
Energy: 1.4758677231430135
Energy: 1.344235315471225
Energy: 1.4758677231430135
Energy: 1.3256350858763524
Energy: 1.4064846252091923
Energy: 1.299183433841107
Energy: 1.4064846252091923
Energy: 1.3256350858763524
Energy: 1.4064846252091923
Energy: 1.326992059279676
Energy: 1.32646422227242
Energy: 1.3125727458653316
Energy: 1.3264642222710898
Energy: 1.326992059279676
Energy: 1.3264642222710898
Energy: 1.3253678974385112
Energy: 1.4301997447680517
Energy: 1.313432456764028
Energy: 1.4301997447680517
Energy: 1.3253678974385112
Energy: 1.4301997447680517
Energy: 1.326989395798035
Energy: 1.3261715659216151
Energy: 1.3165609772124636
Energy: 1.326171565920285
Energy: 1.326989395798035
Energy: 1.326171565920285
Energy: 1.3605566280653099
Energy: 1.4767919144572539
Energy: 1.3604240613600154
Energy: 1.4767919144572539
Energy: 1.3605566280653099
Energy: 1.4767919144585837
Energy: 1.3357096365381478
Energy: 1.3775582565560813
Energy: 1.3174568419819066
Energy: 1.3775582565587414
Energy: 1.3357096365381478
Energy: 1.3775582565587414
Energy: 1.3365888588420785
Energy: 1.3947090320656195
Energy: 1.3331168607988912
Energy: 1.3947090320629594
Energy: 1.3365888588420785
Energy: 1.3947090320656195
Energy: 1.3696785356463144
Energy: 1.3267670635521418
Energy: 1.3354272738121682
Energy: 1.326767063550812
Energy: 1.3696785356463144
Energy: 1.3267670635521418
Energy: 1.326330621744953
Energy: 1.3273326227051117
Energy: 1.3010821079596717
Energy: 1.3273326227051117
Energy: 1.326330621744953
Energy: 1.3273326227051117
Energy: 1.3266627066074017
Energy: 1.3739350093756693
Energy: 1.3054941328426706
Energy: 1.3739350093756693
Energy: 1.3266627066074017
Energy: 1.3739350093756693
Energy: 1.326386236793409
Energy: 1.3877462642676797
Energy: 1.3147022051554327
Energy: 1.3877462642676797
Energy: 1.326386236793409
Energy: 1.3877462642676797

minimum gb energy = 1.2775834388623761 eV
minimum distance =  2.25931993118105 Angstroms
sigma value = 27


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

Energy: 1.4251361839734802
Energy: 1.2819339132956644
Energy: 1.437326390401204
Energy: 1.2819339132956644
Energy: 1.4251361839734802
Energy: 1.2819339132956644
Energy: 1.2667450061352838
Energy: 1.2655039756336819
Energy: 1.266564415439634
Energy: 1.2655039756336819
Energy: 1.2667450061364047
Energy: 1.2655039756336819
Energy: 1.2796856536777241
Energy: 1.280297522900263
Energy: 1.2675638311021666
Energy: 1.280297522900263
Energy: 1.2796856536777241
Energy: 1.280297522900263
Energy: 1.268888685514318
Energy: 1.438340492314778
Energy: 1.306884595255468
Energy: 1.438340492314778
Energy: 1.268888685514318
Energy: 1.438340492314778
Energy: 1.2676798615085656
Energy: 1.5116572332439107
Energy: 1.2670752082206622
Energy: 1.5116572332439107
Energy: 1.2676798615085656
Energy: 1.5116572332439107
Energy: 1.282918428756382
Energy: 1.2801391404699374
Energy: 1.2812361570643893
Energy: 1.2801391404699374
Energy: 1.282918428756382
Energy: 1.2801391404699374
Energy: 1.269095833163871
Energy: 1.446056828113587
Energy: 1.2666579079651241
Energy: 1.446056828113587
Energy: 1.269095833163871
Energy: 1.446056828113587
Energy: 1.266323833687829
Energy: 1.3838342512328656
Energy: 1.266314348784169
Energy: 1.3838342512328656
Energy: 1.266323833687829
Energy: 1.3838342512328656
Energy: 1.3726830038737114
Energy: 1.4304360023179317
Energy: 1.346555048794548
Energy: 1.4304360023179317
Energy: 1.3726830038737114
Energy: 1.4304360023179317
Energy: 1.2661482321850306
Energy: 1.2679519075590586
Energy: 1.3141248521205349
Energy: 1.2679519075590586
Energy: 1.2661482321850306
Energy: 1.2679519075601797
Energy: 1.266138688644618
Energy: 1.2683948175125306
Energy: 1.3141585166047562
Energy: 1.2683948175125306
Energy: 1.2661386886434969
Energy: 1.2683948175125306
Energy: 1.3726348173676466
Energy: 1.4304287801608024
Energy: 1.3465459416189451
Energy: 1.4304287801608024
Energy: 1.3726348173676466
Energy: 1.4304287801608024
Energy: 1.2662856765575476
Energy: 1.3842815670739868
Energy: 1.266743269066844
Energy: 1.3842815670739868
Energy: 1.2662856765575476
Energy: 1.3842815670739868
Energy: 1.2688357073828036
Energy: 1.44589166643169
Energy: 1.2664914277973724
Energy: 1.4458916664328112
Energy: 1.2688357073828036
Energy: 1.44589166643169
Energy: 1.2830888173102055
Energy: 1.2801060547683596
Energy: 1.281485905235935
Energy: 1.2801060547694807
Energy: 1.2830888173102055
Energy: 1.2801060547694807
Energy: 1.2676876809868964
Energy: 1.5116572332427896
Energy: 1.2673055850370876
Energy: 1.5116572332439107
Energy: 1.2676876809868964
Energy: 1.5116572332427896
Energy: 1.269107755486161
Energy: 1.43834598249527
Energy: 1.2802972904833665
Energy: 1.43834598249527
Energy: 1.269107755486161
Energy: 1.43834598249527
Energy: 1.2797202038351694
Energy: 1.280707926093914
Energy: 1.2677424393789407
Energy: 1.280707926093914
Energy: 1.2797202038351694
Energy: 1.280707926093914
Energy: 1.2674546376685945
Energy: 1.26539992612133
Energy: 1.26726177563592
Energy: 1.2653999261224511
Energy: 1.2674546376685945
Energy: 1.2653999261224511
Energy: 1.4251361839734802
Energy: 1.2819339132956644
Energy: 1.3628955692166487
Energy: 1.2819339132956644
Energy: 1.4251361839734802
Energy: 1.2819339132956644
Energy: 1.2667450061352838
Energy: 1.2655039756336819
Energy: 1.266564415439634
Energy: 1.265503975634803
Energy: 1.2667450061352838
Energy: 1.2655039756336819
Energy: 1.2796856536777241
Energy: 1.280297522900263
Energy: 1.2675638311021666
Energy: 1.280297522899142
Energy: 1.2796856536777241
Energy: 1.280297522899142
Energy: 1.268888685514318
Energy: 1.438340492314778
Energy: 1.314053556840759
Energy: 1.438340492314778
Energy: 1.268888685514318
Energy: 1.438340492314778
Energy: 1.2676798615085656
Energy: 1.5116572332439107
Energy: 1.2670752082206622
Energy: 1.5116572332427896
Energy: 1.2676798615085656
Energy: 1.5116572332439107
Energy: 1.282918428756382
Energy: 1.2801391404699374
Energy: 1.2812361570655104
Energy: 1.2801391404688165
Energy: 1.282918428756382
Energy: 1.2801391404699374

minimum gb energy = 1.26539992612133 eV
minimum distance =  2.28167839506466 Angstroms
sigma value = 19


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

Energy: 1.4065562133983682
Energy: 1.2426946894626565
Energy: 1.4229766098816492
Energy: 1.2426946894636242
Energy: 1.4065562133983682
Energy: 1.2426946894636242
Energy: 1.251479569812111
Energy: 1.384516339649611
Energy: 1.2264687454086778
Energy: 1.384516339649611
Energy: 1.251479569812111
Energy: 1.384516339649611
Energy: 1.2436808505289125
Energy: 1.4204577605174151
Energy: 1.2266518666918034
Energy: 1.420457760518383
Energy: 1.2436808505289125
Energy: 1.420457760518383
Energy: 1.251510082567427
Energy: 1.4498289750229914
Energy: 1.2745827835446601
Energy: 1.4498289750229914
Energy: 1.251510082567427
Energy: 1.4498289750220235
Energy: 1.2514594625093474
Energy: 1.366918597489104
Energy: 1.2819766486297355
Energy: 1.366918597489104
Energy: 1.2514594625093474
Energy: 1.366918597489104
Energy: 1.2455520703647753
Energy: 1.3938779702234745
Energy: 1.2793556456560455
Energy: 1.3938779702234745
Energy: 1.2455520703638077
Energy: 1.3938779702234745
Energy: 1.2518958002187306
Energy: 1.4645491287902825
Energy: 1.2809379989528333
Energy: 1.4645491287902825
Energy: 1.2518958002187306
Energy: 1.4645491287902825
Energy: 1.262227352033818
Energy: 1.3937125974309934
Energy: 1.2793278519625535
Energy: 1.3937125974300257
Energy: 1.262227352033818
Energy: 1.3937125974300257
Energy: 1.2519356918856233
Energy: 1.4308230418348837
Energy: 1.3189637044338438
Energy: 1.4308230418348837
Energy: 1.2519356918856233
Energy: 1.4308230418348837
Energy: 1.2715314162616698
Energy: 1.3230581711686473
Energy: 1.2263176546084198
Energy: 1.3230581711676797
Energy: 1.2715314162607019
Energy: 1.3230581711676797
Energy: 1.262282492883892
Energy: 1.4212375130646153
Energy: 1.2647733059684159
Energy: 1.4212375130626798
Energy: 1.262282492883892
Energy: 1.421237513061712
Energy: 1.2669514998491531
Energy: 1.2283739396097588
Energy: 1.2278704026774336
Energy: 1.2283739396107267
Energy: 1.2669514998481854
Energy: 1.2283739396107267
Energy: 1.2666586570614977
Energy: 1.331095495849006
Energy: 1.227671504730147
Energy: 1.331095495849006
Energy: 1.2666586570614977
Energy: 1.331095495849006
Energy: 1.2450245968048033
Energy: 1.420545294922501
Energy: 1.2915783190708499
Energy: 1.420545294922501
Energy: 1.2450245968048033
Energy: 1.420545294922501
Energy: 1.273335482861008
Energy: 1.4309881801706297
Energy: 1.2266614383702774
Energy: 1.4309881801706297
Energy: 1.273335482861008
Energy: 1.4309881801706297
Energy: 1.27145744945672
Energy: 1.3933579450060745
Energy: 1.228655783691252
Energy: 1.3933579450070421
Energy: 1.2714574494557522
Energy: 1.3933579450070421
Energy: 1.2428154346785905
Energy: 1.3932113132886133
Energy: 1.2281859451158856
Energy: 1.3932113132886133
Energy: 1.2428154346785905
Energy: 1.3932113132886133
Energy: 1.2715768865833152
Energy: 1.3186537538741554
Energy: 1.2265628149403034
Energy: 1.3186537538741554
Energy: 1.2715768865833152
Energy: 1.3186537538741554
Energy: 1.2428337180332807
Energy: 1.3932192241771781
Energy: 1.2281683145108777
Energy: 1.3932192241771781
Energy: 1.2428337180332807
Energy: 1.3932192241771781
Energy: 1.2715405251523384
Energy: 1.3933651548168438
Energy: 1.228646710709099
Energy: 1.3933651548168438
Energy: 1.2715405251523384
Energy: 1.3933651548168438
Energy: 1.2733262633343372
Energy: 1.4310130901206835
Energy: 1.2266562210417828
Energy: 1.431013090122619
Energy: 1.2733262633343372
Energy: 1.431013090122619
Energy: 1.245023612588161
Energy: 1.4205307087206342
Energy: 1.2915321524545158
Energy: 1.4205307087206342
Energy: 1.245023612588161
Energy: 1.4205307087196666
Energy: 1.2666783650199047
Energy: 1.3318749235220624
Energy: 1.2276745651308034
Energy: 1.3318749235230298
Energy: 1.2666783650199047
Energy: 1.3318749235239975
Energy: 1.2667898363331125
Energy: 1.2284575705795528
Energy: 1.2278517172894008
Energy: 1.2284575705795528
Energy: 1.2667898363331125
Energy: 1.2284575705795528
Energy: 1.26229046537136
Energy: 1.421142929864463
Energy: 1.2267331558412933
Energy: 1.421142929864463
Energy: 1.26229046537136
Energy: 1.421142929864463
Energy: 1.2715195254741183
Energy: 1.3230403410713745
Energy: 1.2264295260194615
Energy: 1.3230403410723421
Energy: 1.2715195254741183
Energy: 1.3230403410723421
Energy: 1.2526292498850957
Energy: 1.4308215739569594
Energy: 1.3169494417561696
Energy: 1.4308215739559917
Energy: 1.2526292498860632
Energy: 1.4308215739559917
Energy: 1.2622593388845877
Energy: 1.3937206066123664
Energy: 1.2792493514111223
Energy: 1.3937206066123664
Energy: 1.2622593388845877
Energy: 1.3937206066123664
Energy: 1.2519768806609013
Energy: 1.4645491287902825
Energy: 1.2809307899951914
Energy: 1.4645491287893146
Energy: 1.2519768806599336
Energy: 1.4645491287893146

minimum gb energy = 1.2263176546084198 eV
minimum distance =  2.24735156147733 Angstroms
sigma value = 101


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

Energy: 1.3743269538181675
Energy: 1.28448997503891
Energy: 1.336487566640984
Energy: 1.28448997503891
Energy: 1.3743269538181675
Energy: 1.28448997503891
Energy: 1.2187159701306836
Energy: 1.2061764894841702
Energy: 1.2187555768618215
Energy: 1.2061764894841702
Energy: 1.2187159701306836
Energy: 1.2061764894841702
Energy: 1.2068310156411268
Energy: 1.1942163558236398
Energy: 1.2191051615096593
Energy: 1.1942163558236398
Energy: 1.206831015640276
Energy: 1.1942163558236398
Energy: 1.2289045028576113
Energy: 1.2071646024221039
Energy: 1.227316503655171
Energy: 1.207164602422955
Energy: 1.2289045028576113
Energy: 1.3715004633853303
Energy: 1.1938763987228946
Energy: 1.2906751936429017
Energy: 1.2172627082784973
Energy: 1.2906751936429017
Energy: 1.1938763987220442
Energy: 1.2906751936429017
Energy: 1.207747657202541
Energy: 1.3845132506822255
Energy: 1.194579127424296
Energy: 1.3845132506822255
Energy: 1.207747657202541
Energy: 1.3845132506822255
Energy: 1.217254932946383
Energy: 1.425725774792669
Energy: 1.1938184554130302
Energy: 1.4257257747918184
Energy: 1.217254932946383
Energy: 1.425725774792669
Energy: 1.2061365843081935
Energy: 1.4120150722895646
Energy: 1.2085953803557556
Energy: 1.332081266337709
Energy: 1.2061365843081935
Energy: 1.4279707826490065
Energy: 1.193701938460842
Energy: 1.3831638792828858
Energy: 1.207225226817787
Energy: 1.3831638792828858
Energy: 1.193701938460842
Energy: 1.3831638792828858
Energy: 1.1930688295943837
Energy: 1.3254845236923072
Energy: 1.1949017593458828
Energy: 1.3254845236923072
Energy: 1.1930688295943837
Energy: 1.3254845236923072
Energy: 1.2573874002259886
Energy: 1.369026313309568
Energy: 1.2756417406853429
Energy: 1.369026313309568
Energy: 1.2573874002259886
Energy: 1.369026313309568
Energy: 1.2187200285747108
Energy: 1.1952524481354188
Energy: 1.1944602076610868
Energy: 1.1952524481354188
Energy: 1.2187200285747108
Energy: 1.1952524481362692
Energy: 1.219126733138146
Energy: 1.1944115317452921
Energy: 1.2125837377367816
Energy: 1.1944115317452921
Energy: 1.2191267331389963
Energy: 1.194411531738487
Energy: 1.2253097221230445
Energy: 1.229361243161158
Energy: 1.2193954719455338
Energy: 1.2080209413351422
Energy: 1.2253097221230445
Energy: 1.2136845478759388
Energy: 1.2038596223276918
Energy: 1.2946069153596689
Energy: 1.2184683777260403
Energy: 1.2946069153596689
Energy: 1.2038596223276918
Energy: 1.2946069153596689
Energy: 1.2507215493657284
Energy: 1.208919032282737
Energy: 1.206545571651194
Energy: 1.208919032282737
Energy: 1.2507215493657284
Energy: 1.208919032282737
Energy: 1.1936944386682362
Energy: 1.206688375796883
Energy: 1.1934277841972667
Energy: 1.2066883757960325
Energy: 1.1936944386690866
Energy: 1.206688375796883
Energy: 1.2080881625883177
Energy: 1.2063252935661999
Energy: 1.1932049525198885
Energy: 1.2063252935661999
Energy: 1.2080881625883177
Energy: 1.2063252935661999
Energy: 1.2073701184563308
Energy: 1.3776851270594341
Energy: 1.2062504943119539
Energy: 1.3776851270594341
Energy: 1.2073701184563308
Energy: 1.3776851270594341
Energy: 1.1934864731273829
Energy: 1.2598117436569078
Energy: 1.1930769979662106
Energy: 1.2598117436569078
Energy: 1.1934864731273829
Energy: 1.2598117436577585
Energy: 1.2216840794378927
Energy: 1.222682690517225
Energy: 1.2066892586589275
Energy: 1.222682690517225
Energy: 1.2216840794378927
Energy: 1.222682690517225
Energy: 1.1944253034051535
Energy: 1.3779107882827755
Energy: 1.1930885176729717
Energy: 1.3779107882827755
Energy: 1.1944253034051535
Energy: 1.3779107882827755
Energy: 1.206425798366173
Energy: 1.3766382247645625
Energy: 1.1937295999431525
Energy: 1.3766382247645625
Energy: 1.206425798366173
Energy: 1.3766382247645625
Energy: 1.2289080058497253
Energy: 1.309767642928414
Energy: 1.2601781134456485
Energy: 1.206837213396472
Energy: 1.2289080058497253
Energy: 1.309767642928414
Energy: 1.1937754639620226
Energy: 1.2868730214206923
Energy: 1.203912154192008
Energy: 1.2868730214206923
Energy: 1.1937754639620226
Energy: 1.2868730214206923
Energy: 1.2125647431459774
Energy: 1.194945393299264
Energy: 1.2508418980006144
Energy: 1.1949453932984135
Energy: 1.2125647431459774
Energy: 1.1949453932984135
Energy: 1.2190689255633493
Energy: 1.1939014613096448
Energy: 1.1934263697954182
Energy: 1.1939014613104955
Energy: 1.2190689255633493
Energy: 1.1939014613104955
Energy: 1.2186596572655155
Energy: 1.193573823223553
Energy: 1.1956312949959784
Energy: 1.193573823223553
Energy: 1.2186596572655155
Energy: 1.193573823223553
Energy: 1.2648109307527333
Energy: 1.2148542523861803
Energy: 1.299357733981666
Energy: 1.2148542523861803
Energy: 1.2648109307518827
Energy: 1.2148542523861803
Energy: 1.1931431025438912
Energy: 1.1980435038568977
Energy: 1.195495934562621
Energy: 1.1980435038577486
Energy: 1.1931431025438912
Energy: 1.1980435038568977
Energy: 1.1935019876560737
Energy: 1.2225840656568945
Energy: 1.20624105157912
Energy: 1.2225840656568945
Energy: 1.1935019876552229
Energy: 1.2225840656568945
Energy: 1.214444783715936
Energy: 1.377050167530579
Energy: 1.1945250556968119
Energy: 1.377050167530579
Energy: 1.214444783715936
Energy: 1.377050167530579
Energy: 1.1936486597339846
Energy: 1.2574275235858496
Energy: 1.2065640777665094
Energy: 1.2574275235849988
Energy: 1.193648659733134
Energy: 1.2574275235858496

minimum gb energy = 1.1930688295943837 eV
minimum distance =  2.26262653330224 Angstroms
sigma value = 33


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

Energy: 0.014950600539569968
Energy: 0.01560636975315826
Energy: 1.3319290439666356
Energy: 0.015606369752490752
Energy: 0.014950600539569968
Energy: 0.01560636975315826
Energy: 0.015169684505555408
Energy: 0.6811033000565837
Energy: 0.015169684506262184
Energy: 0.6811033000565837
Energy: 0.015169684506262184
Energy: 0.6811033000565837
Energy: 1.4752274916760812
Energy: 0.01560636975315826
Energy: 0.014950600539569968
Energy: 0.01560636975315826
Energy: 1.475227491676788
Energy: 0.01560636975315826
Energy: 0.015169684505555408
Energy: 0.6811033000565837
Energy: 0.015169684506262184
Energy: 0.6811033000565837
Energy: 0.015169684506262184
Energy: 0.6811033000565837

minimum gb energy = 0.014950600539569968 eV
minimum distance =  2.45802806549876 Angstroms
sigma value = 1