Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ag__MO_111986436268_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.073291137814522
cohesive_energy=3.00442488504709
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.196636888755188e-19, 1.7279955650680198e-19, 2.1497365204358398e-19, 2.5037694912508198e-19, 2.8086957482337e-19, 3.07539407072934e-19, 3.31080188356296e-19, 3.51996604313166e-19, 3.7062831638995196e-19, 3.87241285907898e-19, 4.0205180671259394e-19, 4.15231311703878e-19, 4.2691758807227397e-19, 4.3722599253543e-19, 4.46259064397922e-19, 4.54106525551254e-19, 4.60835667414054e-19, 4.66512179228316e-19, 4.71193739352864e-19, 4.749364239698879e-19, 4.77783491848506e-19, 4.797717930512999e-19, 4.809413819941199e-19, 4.813243022096459e-19, 4.809205536978779e-19, 4.79593951444926e-19, 4.77161847314514e-19, 4.73407947461052e-19, 4.680759036230999e-19, 4.60854893533662e-19, 4.51366803507114e-19, 4.39145400142962e-19, 4.23621910736136e-19, 4.04107399334016e-19, 3.79704647021562e-19, 3.4929853886150995e-19, 3.1148717029911e-19, 2.64460081737942e-19, 2.0589892358860798e-19, 1.327289586727986e-19, 4.0898442500791196e-20, -7.506421835018759e-20, -2.22609625881228e-19, -4.12190380452546e-19, -6.586403946476939e-19, -9.83617892205084e-19, -1.4196166174388698e-18, -2.01707629514064e-18, -2.8574019179072994e-18, -4.0786610571738e-18, -5.92986400539642e-18, -8.89578134672454e-18, -1.402474929631704e-17, -2.3940684571208397e-17]
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: 0.00912616070352323
Energy: 0.12050165412095201
Energy: 0.9314702619044337
Energy: 0.009373311826322643
Energy: 0.12050165412095201
Energy: 1.0741441065652664
Energy: 0.00937331182681666
Energy: 1.0741441065633313
Energy: 0.9314702619063686
Energy: 0.009373311826322643
Energy: 0.00912616070352323
Energy: 0.12050165411997771
Energy: 0.009373311826322643
Energy: 1.0741441065633313
Energy: 0.12050165411997771
Energy: 1.0741441065652664

minimum gb energy = 0.00912616070352323 eV
minimum distance =  2.81617027037796 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.705901134577891
Energy: 1.0502472947158834
Energy: 1.051060009154206
Energy: 0.9864943610724403
Energy: 1.0371068731477375
Energy: 1.0864553195550064
Energy: 1.036904270993858
Energy: 1.0864553195556057
Energy: 1.050448494471153
Energy: 1.0489620344343609
Energy: 1.0372103004373816
Energy: 1.0489620344343609
Energy: 1.0359196164341966
Energy: 1.0372081083239513
Energy: 1.0367039411487142
Energy: 1.0372081083215545
Energy: 1.1005428936012234
Energy: 1.0388592242066417
Energy: 1.037647029016094
Energy: 1.0388592242072408
Energy: 1.0358280987290185
Energy: 1.166536886800637
Energy: 1.036813098776538
Energy: 1.1665368867988395
Energy: 1.0369711894821787
Energy: 1.1575111624732728
Energy: 1.1003352621923044
Energy: 1.1575111624726735
Energy: 1.1016458268810494
Energy: 1.1677074417089268
Energy: 1.0498705173368232
Energy: 1.1677074417101252
Energy: 1.109748590036856
Energy: 1.2145338766640343
Energy: 1.1017857382292673
Energy: 1.2145338766640343
Energy: 1.1095631989793286
Energy: 1.1172034035641156
Energy: 1.1097307696998489
Energy: 1.1172034035635166
Energy: 1.0925051785399673
Energy: 1.213576039009857
Energy: 1.036519817586283
Energy: 1.213576039009258
Energy: 1.1095219017720657
Energy: 1.212456113946151
Energy: 1.0501946749454638
Energy: 1.2124561139455516
Energy: 1.1015961355083868
Energy: 1.158717583167047
Energy: 1.1067070266566699
Energy: 1.158717583168245
Energy: 1.0361211366845982
Energy: 1.1587571601545466
Energy: 1.0978315432013208
Energy: 1.1587571601533482
Energy: 1.0864762294332786
Energy: 1.0396284203270996
Energy: 1.037889103946608
Energy: 1.0396284203270996
Energy: 0.9821348483885584
Energy: 1.0361046573930932
Energy: 1.0368424101367966
Energy: 1.0361046573924941
Energy: 1.047927125513608
Energy: 1.0472098980805333
Energy: 0.9819343108853943
Energy: 1.0472098980811324
Energy: 1.036803164380403
Energy: 1.0371903232156643
Energy: 1.0879209662003093
Energy: 1.0371903232144661
Energy: 1.0494052535684044
Energy: 1.050861031523442
Energy: 1.0509349481236103
Energy: 1.0508610315240412
Energy: 1.0356141488540849
Energy: 1.0373852263275811
Energy: 1.035760986168559
Energy: 1.0373852263275811
Energy: 1.038455430600832
Energy: 1.0371304883502357
Energy: 1.1006232475274578
Energy: 1.0371304883490375
Energy: 1.0369822298504567
Energy: 1.036671635416605
Energy: 1.0357408385931997
Energy: 1.036671635415407
Energy: 1.0934319246638409
Energy: 1.1583880171746128
Energy: 1.0357506846671365
Energy: 1.158388017175811
Energy: 1.0486230288694627
Energy: 1.1571338623152163
Energy: 1.0361960780660828
Energy: 1.1571338623122207
Energy: 1.1017638913790422
Energy: 1.214721542796406
Energy: 1.109668648269042
Energy: 1.2147215427946085
Energy: 1.1116486750605516
Energy: 1.2123728591026133
Energy: 1.1110020674364272
Energy: 1.212372859101415
Energy: 1.0368602898907708
Energy: 1.2137517886870708
Energy: 1.092432859861632
Energy: 1.2137517886882692
Energy: 1.050633851892359
Energy: 1.2128589115008994
Energy: 1.1087770300941509
Energy: 1.212858911499701
Energy: 1.1069006606404594
Energy: 1.1600821833102894
Energy: 1.0390445238828554
Energy: 1.1600821833108887
Energy: 1.098289576728859
Energy: 1.1577008368012018
Energy: 1.036147964127824
Energy: 1.1577008368024002
Energy: 1.039324024551021
Energy: 1.0398559548692496
Energy: 1.0867778105648753
Energy: 1.0398559548686506
Energy: 1.0368068553926517
Energy: 1.0378742043957783
Energy: 0.9822012582911803
Energy: 1.0378742043975757
Energy: 0.9818390745881651
Energy: 1.0466674650879273
Energy: 1.0467076231257852
Energy: 1.0466674650885264

minimum gb energy = 0.9818390745881651 eV
minimum distance =  2.59210144508907 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.2470168680015445
Energy: 1.1222477498049905
Energy: 1.1243202573161897
Energy: 1.0503131342134029
Energy: 1.1096413580176963
Energy: 1.1577267502810977
Energy: 1.1097172545748548
Energy: 1.1577267502804145
Energy: 1.1212178794721717
Energy: 1.1201827823868675
Energy: 1.108839671778714
Energy: 1.120182782390966
Energy: 1.107643412678881
Energy: 1.1130127909615266
Energy: 1.1094244901806927
Energy: 1.1130127909615266
Energy: 1.1082372583956728
Energy: 1.1134016175857724
Energy: 1.1093662890619072
Energy: 1.11340161758304
Energy: 1.1077376981259466
Energy: 1.2578397916659332
Energy: 1.1097696346792738
Energy: 1.25783979166525
Energy: 1.1075874881923498
Energy: 1.2470892680048176
Energy: 1.1821519261834437
Energy: 1.2470892680055008
Energy: 1.1082813531253703
Energy: 1.2541476257382387
Energy: 1.1207100673638595
Energy: 1.2541476257361894
Energy: 1.1159124419743696
Energy: 1.298018348699395
Energy: 1.0448671731217043
Energy: 1.2980183486973456
Energy: 1.1220673259826281
Energy: 1.2975662393302247
Energy: 1.1892492485094779
Energy: 1.2975662393281753
Energy: 1.1843900248201717
Energy: 1.2491767082999714
Energy: 1.1073454281904052
Energy: 1.249176708298605
Energy: 1.1768170838614966
Energy: 1.2474499503207321
Energy: 1.1076091019011467
Energy: 1.2474499503179994
Energy: 1.1093684165037354
Energy: 1.1134893002115362
Energy: 1.1664168153600836
Energy: 1.1134893002115362
Energy: 1.1094620204328804
Energy: 1.1129346635728656
Energy: 1.0446846576153477
Energy: 1.1129346635721826
Energy: 1.0447031909898086
Energy: 1.1185205761649442
Energy: 1.1203688772158458
Energy: 1.1185205761628947
Energy: 1.1676580804279824
Energy: 1.1144325723330086
Energy: 1.1097322900219828
Energy: 1.1144325723302764
Energy: 1.123305411299865
Energy: 1.1235042454328525
Energy: 1.1094194710141974
Energy: 1.1235042454342188
Energy: 1.107532943262469
Energy: 1.1101413412648489
Energy: 1.1067958222868697
Energy: 1.1101413412662149
Energy: 1.1214047456528418
Energy: 1.108725700649324
Energy: 1.109136488926948
Energy: 1.108725700649324
Energy: 1.107701680748713
Energy: 1.1121310920889798
Energy: 1.109642289310042
Energy: 1.1121310920882967
Energy: 1.107453451690849
Energy: 1.2477818372668286
Energy: 1.115936616128417
Energy: 1.2477818372661453
Energy: 1.1082754648902478
Energy: 1.2454083757425936
Energy: 1.120534706784141
Energy: 1.2454083757432766
Energy: 1.117394588250034
Energy: 1.2977149826627743
Energy: 1.044800840620319
Energy: 1.2977149826620913
Energy: 1.121713776034366
Energy: 1.297440524540225
Energy: 1.1882257073283025
Energy: 1.297440524540225
Energy: 1.1843230425020725
Energy: 1.2510579624911053
Energy: 1.1071549680864992
Energy: 1.2510579624931546
Energy: 1.171055323900047
Energy: 1.2468276003792218
Energy: 1.1075181864948305
Energy: 1.2468276003771728
Energy: 1.1131306791661875
Energy: 1.1136843040880953
Energy: 1.1662249378692873
Energy: 1.1136843040880953
Energy: 1.109862714709624
Energy: 1.1112226941778884
Energy: 1.0445236692875957
Energy: 1.1112226941778884
Energy: 1.0445727288461544
Energy: 1.1183069451650887
Energy: 1.1185947273603676
Energy: 1.1183069451644052

minimum gb energy = 1.0445236692875957 eV
minimum distance =  2.59286316666845 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.3256444810563464
Energy: 1.2065740729302143
Energy: 1.2068020043050505
Energy: 1.1237098739804798
Energy: 1.208021287347158
Energy: 1.2387093098290816
Energy: 1.1942379340411045
Energy: 1.2387093098282875
Energy: 1.201738703095967
Energy: 1.2022112956133968
Energy: 1.1927676861004213
Energy: 1.202211295614191
Energy: 1.2004999644986858
Energy: 1.1997894322955756
Energy: 1.1937076384571157
Energy: 1.1997894322947815
Energy: 1.1924599491160535
Energy: 1.200883700768852
Energy: 1.193210222893507
Energy: 1.20088370077044
Energy: 1.1897187095226418
Energy: 1.1943951462295515
Energy: 1.1938794070499068
Energy: 1.1943951462303455
Energy: 1.1900914527528736
Energy: 1.354274813828759
Energy: 1.2673942254474202
Energy: 1.3542748138279648
Energy: 1.1914734712618602
Energy: 1.3504475288014
Energy: 1.1350456310271317
Energy: 1.3504475288014
Energy: 1.2699208772451804
Energy: 1.3589818844492685
Energy: 1.2610243037514905
Energy: 1.3589818844492685
Energy: 1.189574690307072
Energy: 1.3547770159442654
Energy: 1.1941029629789377
Energy: 1.3547770159442654
Energy: 1.1155394103144587
Energy: 1.2004349860612755
Energy: 1.1939170219190278
Energy: 1.2004349860604813
Energy: 1.1153848581670462
Energy: 1.1948010063550096
Energy: 1.193737086180419
Energy: 1.1948010063558037
Energy: 1.2007936680318534
Energy: 1.2007889188462288
Energy: 1.1155094793133136
Energy: 1.2007889188462288
Energy: 1.2080351114668761
Energy: 1.190305362180628
Energy: 1.2757512308067902
Energy: 1.1903053621790403
Energy: 1.1927008614353678
Energy: 1.200947938253747
Energy: 1.2080143175249414
Energy: 1.2009479382545412
Energy: 1.2086477456473297
Energy: 1.1899703523660683
Energy: 1.2011866170790004
Energy: 1.1899703523668623
Energy: 1.1941475147371385
Energy: 1.1898853548026609
Energy: 1.1923595511354896
Energy: 1.1898853548026609
Energy: 1.1948667568944764
Energy: 1.1913432026724946
Energy: 1.189898896189608
Energy: 1.1913432026724946
Energy: 1.267517885818552
Energy: 1.3538342128595862
Energy: 1.189883332416513
Energy: 1.3538342128587921
Energy: 1.1361074566325822
Energy: 1.3538825667469785
Energy: 1.1898357679121443
Energy: 1.3538825667469785
Energy: 1.261521204982036
Energy: 1.3591331051365645
Energy: 1.1895663819560196
Energy: 1.3591331051357705
Energy: 1.261677264250659
Energy: 1.3545603129181107
Energy: 1.1904307305872865
Energy: 1.3545603129189048
Energy: 1.1989718746537135
Energy: 1.2007464640718137
Energy: 1.1154176495108832
Energy: 1.2007464640718137
Energy: 1.1937189197956697
Energy: 1.1947099437929845
Energy: 1.115426615589441
Energy: 1.1947099437922082
Energy: 1.1153417496269202
Energy: 1.2007903449022548
Energy: 1.2013829418739241
Energy: 1.2007903449022548

minimum gb energy = 1.1153417496269202 eV
minimum distance =  2.59725172072974 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.7284058780329847
Energy: 1.2943317493345756
Energy: 1.3032307538793373
Energy: 1.2054051005400435
Energy: 1.3051979801079934
Energy: 1.3275646310296807
Energy: 1.3054187303950604
Energy: 1.3275646310287335
Energy: 1.2944897959355393
Energy: 1.2943863667423763
Energy: 1.3057856083453796
Energy: 1.294386366741429
Energy: 1.2939095175087696
Energy: 1.3282158366294214
Energy: 1.2908458740635242
Energy: 1.3282158366303687
Energy: 1.2874009512533806
Energy: 1.3044988252817418
Energy: 1.290029273911125
Energy: 1.3044988252817418
Energy: 1.2800725654581881
Energy: 1.2917151982874833
Energy: 1.2911111425258697
Energy: 1.2917151982884307
Energy: 1.364132674623799
Energy: 1.4912117726749505
Energy: 1.2912584420163937
Energy: 1.4912117726749505
Energy: 1.2913961197265198
Energy: 1.4715184874232792
Energy: 1.2906460951801582
Energy: 1.4715184874223317
Energy: 1.2918510469974909
Energy: 1.3045105890616977
Energy: 1.1925426010697704
Energy: 1.304510589062645
Energy: 1.290932216240682
Energy: 1.3049360191246386
Energy: 1.1925534732750314
Energy: 1.3049360191246386
Energy: 1.1916595428841779
Energy: 1.2943174517452725
Energy: 1.2942733599539615
Energy: 1.294317451747167
Energy: 1.3822158926590196
Energy: 1.280062444071991
Energy: 1.3052712875222239
Energy: 1.2800624440729382
Energy: 1.3053306220909437
Energy: 1.2942178893729661
Energy: 1.3059577656366945
Energy: 1.2942178893729661
Energy: 1.2939407511755128
Energy: 1.280113915827752
Energy: 1.3047750476839668
Energy: 1.2801139158268044
Energy: 1.2873903012787185
Energy: 1.279462129943575
Energy: 1.2912849308812793
Energy: 1.2794621299426279
Energy: 1.279583141241786
Energy: 1.3053515104364695
Energy: 1.2907665931113084
Energy: 1.3053515104374167
Energy: 1.3636660161414664
Energy: 1.4993610338446333
Energy: 1.291421987834606
Energy: 1.4993610338455805
Energy: 1.3636965219798427
Energy: 1.4932369926981568
Energy: 1.2913502646764112
Energy: 1.4932369926981568
Energy: 1.2929144168567024
Energy: 1.3050725174964741
Energy: 1.192446945542817
Energy: 1.3050725174955269
Energy: 1.2911595121452832
Energy: 1.3049734767254613
Energy: 1.192587852543628
Energy: 1.3049734767254613
Energy: 1.1915733885471989
Energy: 1.2942013206119334
Energy: 1.293371311705535
Energy: 1.2942013206119334

minimum gb energy = 1.1915733885471989 eV
minimum distance =  2.60218108424306 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.5530606131944773
Energy: 1.401230760517832
Energy: 1.415980017187442
Energy: 1.2885010692704173
Energy: 1.414018407072814
Energy: 1.374733674587152
Energy: 1.4141954201121467
Energy: 1.374733674584809
Energy: 1.4002440708281003
Energy: 1.4013643488128975
Energy: 1.4137325354577228
Energy: 1.4013643488128975
Energy: 1.4000508733556087
Energy: 1.3755074081014484
Energy: 1.3100932875005824
Energy: 1.3755074081014484
Energy: 1.3054654691842147
Energy: 1.3101584105623372
Energy: 1.3101389645908266
Energy: 1.3101584105588224
Energy: 1.2789376189164314
Energy: 1.47658172395105
Energy: 1.3082270825672817
Energy: 1.476581723949878
Energy: 1.2740903731393525
Energy: 1.3105993713461175
Energy: 1.3099395395344524
Energy: 1.310599371344946
Energy: 1.273814686093067
Energy: 1.3759177869763812
Energy: 1.3099095832219747
Energy: 1.3759177869763812
Energy: 1.400292602464813
Energy: 1.4001851866939476
Energy: 1.5178119762762272
Energy: 1.4001851866939476
Energy: 1.414445494777341
Energy: 1.2799014705481908
Energy: 1.5143698700420076
Energy: 1.279901470547019
Energy: 1.4133661291826343
Energy: 1.4008391206060788
Energy: 1.4138140575192346
Energy: 1.4008391206049076
Energy: 1.3990764081455787
Energy: 1.2797760729142065
Energy: 1.4009866663480322
Energy: 1.2797760729153782
Energy: 1.3088937365364335
Energy: 1.4772353542762648
Energy: 1.3054243660391693
Energy: 1.4772353542762648
Energy: 1.310019046805352
Energy: 1.3105824853030517
Energy: 1.2804679101495453
Energy: 1.3105824853065664
Energy: 1.310248587417141
Energy: 1.420680072857533
Energy: 1.2737324795921776
Energy: 1.420680072857533
Energy: 1.3093616270159119
Energy: 1.3100355509106267
Energy: 1.2738440354999165
Energy: 1.3100355509094552
Energy: 1.51510037282503
Energy: 1.3997888648966597
Energy: 1.398902725547472
Energy: 1.3997888648966597

minimum gb energy = 1.2737324795921776 eV
minimum distance =  2.61058845848388 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 2.0662576994120485
Energy: 1.540117915016682
Energy: 1.5399524446998678
Energy: 1.4466089350395621
Energy: 1.3348369537272629
Energy: 1.3346771868040925
Energy: 1.4617062842642519
Energy: 1.334677186804756
Energy: 1.3741714725896461
Energy: 1.373923798876929
Energy: 1.5182773796064017
Energy: 1.3739237988782564
Energy: 1.3742081082919704
Energy: 1.3884552064989173
Energy: 1.3719047428969107
Energy: 1.3884552064989173
Energy: 1.3744109860008575
Energy: 1.4437292751395836
Energy: 1.3103888573987768
Energy: 1.4437292751382564
Energy: 1.3727283158065884
Energy: 1.390955912357759
Energy: 1.3741285231494937
Energy: 1.390955912357759
Energy: 1.431552991499139
Energy: 1.3722674357305602
Energy: 1.3724778980337193
Energy: 1.3722674357299267
Energy: 1.600494012710009
Energy: 1.37187394639355
Energy: 1.3380698988545647
Energy: 1.3718739463922232
Energy: 1.5346068441175718
Energy: 1.5185776404884288
Energy: 1.541991981853636
Energy: 1.5185776404877651
Energy: 1.5187264327056822
Energy: 1.5183992955996597
Energy: 1.4601186963886048
Energy: 1.5183992955996597
Energy: 1.3715831858006908
Energy: 1.312430445464532
Energy: 1.3324524164089273
Energy: 1.312430445464532
Energy: 1.5194101002710838
Energy: 1.3349769044027409
Energy: 1.3353748314779084
Energy: 1.3349769044047315
Energy: 1.4320220425177825
Energy: 1.3347759798356817
Energy: 1.335781355717091
Energy: 1.3347759798343546
Energy: 1.432406848049436
Energy: 1.3350068262274422
Energy: 1.3339118916236705
Energy: 1.3350068262287695
Energy: 1.5185165561687597
Energy: 1.5177527121111147
Energy: 1.6024927705299505
Energy: 1.5177527121097878
Energy: 1.532763581356701
Energy: 1.5178720012869755
Energy: 1.6033349843042468
Energy: 1.5178720012883022
Energy: 1.518461486681934
Energy: 1.372208711195302
Energy: 1.3747912699106064
Energy: 1.3722087111972927
Energy: 1.518611563362677
Energy: 1.3722213724397712
Energy: 1.3709077914731194
Energy: 1.372221372439108
Energy: 1.3732848020551498
Energy: 1.4442764595937398
Energy: 1.3748662913715777
Energy: 1.444276459594403
Energy: 1.3124611425501558
Energy: 1.3885481696782418
Energy: 1.3748001137417518
Energy: 1.3885481696789053
Energy: 1.3730218948528785
Energy: 1.3734861097857016
Energy: 1.600367268747759
Energy: 1.373486109786365
Energy: 1.3740464856508108
Energy: 1.3731636325468592
Energy: 1.4315596547689928
Energy: 1.3731636325475225
Energy: 1.460072385061117
Energy: 1.433900343480896
Energy: 1.46038445127585
Energy: 1.4339003434828563
Energy: 1.5355709012471241
Energy: 1.5187832852265022
Energy: 1.5188703133999293
Energy: 1.5187832852278291
Energy: 1.334749985550677
Energy: 1.3352644613865878
Energy: 1.5192066425340873
Energy: 1.3352644613865878
Energy: 1.335436060942237
Energy: 1.334914154978863
Energy: 1.3717183530300465
Energy: 1.3349141549781995
Energy: 1.3321907718199943
Energy: 1.3353478080574186
Energy: 1.4333640171485837
Energy: 1.3353478080580823
Energy: 1.3353872081486555
Energy: 1.3348854165965502
Energy: 1.43255300270181
Energy: 1.3348854165965502
Energy: 1.3346077440668365
Energy: 1.334667982408373
Energy: 1.4317465098135462
Energy: 1.3346679824077092
Energy: 1.6041749865658388
Energy: 1.5191446861408073
Energy: 1.5186457079173876
Energy: 1.5191446861421343

minimum gb energy = 1.3103888573987768 eV
minimum distance =  2.60081355194395 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.9022105171875343
Energy: 1.4568425105509146
Energy: 1.4599389668083353
Energy: 1.2966907396851242
Energy: 1.4549007681012347
Energy: 1.3711967740695594
Energy: 1.4562466011918886
Energy: 1.3711967740697155
Energy: 1.455639793146239
Energy: 1.4556301031070942
Energy: 1.468645949396089
Energy: 1.4556301031070942
Energy: 1.4557907345981975
Energy: 1.3719174085787296
Energy: 1.4538815768269917
Energy: 1.3719174085796493
Energy: 1.4755858310419112
Energy: 1.3712054025109053
Energy: 1.2835456234524405
Energy: 1.3712054025101414
Energy: 1.4540711080912248
Energy: 1.373456807363418
Energy: 1.2859847613470645
Energy: 1.3734568073622033
Energy: 1.612171131946871
Energy: 1.4555668784431268
Energy: 1.4560259196084142
Energy: 1.455566878444047
Energy: 1.612142142965863
Energy: 1.454173749632262
Energy: 1.4525127253994405
Energy: 1.454173749631811
Energy: 1.4553642566234026
Energy: 1.4571466474743384
Energy: 1.4708521477836647
Energy: 1.4571466474735748
Energy: 1.4537853163830694
Energy: 1.4550727778971795
Energy: 1.455984017947177
Energy: 1.455072777896572
Energy: 1.4744863375980712
Energy: 1.3762013944716107
Energy: 1.2858312231808007
Energy: 1.3762013944716107
Energy: 1.45553021245694
Energy: 1.3706353053180778
Energy: 1.2821782899013416
Energy: 1.3706353053196054
Energy: 1.612175941071838
Energy: 1.454319585156204
Energy: 1.4532878675688814
Energy: 1.454319585154538

minimum gb energy = 1.2821782899013416 eV
minimum distance =  2.60170554900993 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.8295765828316355
Energy: 1.564452462462408
Energy: 1.6211131516543817
Energy: 1.4839386203121565
Energy: 1.36417545813485
Energy: 1.3624786326188136
Energy: 1.580425391149304
Energy: 1.3624786326188136
Energy: 1.3633095774082127
Energy: 1.3683257217386908
Energy: 1.5628078727604953
Energy: 1.3683257217398215
Energy: 1.3654458203365376
Energy: 1.3650492784519184
Energy: 1.658258123026312
Energy: 1.3650492784507875
Energy: 1.3637362918268976
Energy: 1.3620201127579663
Energy: 1.655851393851875
Energy: 1.3620201127568354
Energy: 1.361070702932948
Energy: 1.3622341341518884
Energy: 1.6558792192294813
Energy: 1.3622341341507576
Energy: 1.5840236392344975
Energy: 1.5638113630602493
Energy: 1.5816629001695308
Energy: 1.5638113630596842
Energy: 1.5824307106536437
Energy: 1.5625333077075367
Energy: 1.5641379274624465
Energy: 1.5625333077064059
Energy: 1.4119118099636125
Energy: 1.4797760836517708
Energy: 1.4323622536483105
Energy: 1.4797760836545977
Energy: 1.3692584627024293
Energy: 1.4341371305760628
Energy: 1.5634734604506664
Energy: 1.4341371305766282
Energy: 1.409881875679972
Energy: 1.4098132768893357
Energy: 1.5215125518353558
Energy: 1.409813276889901
Energy: 1.43136997961235
Energy: 1.412385630087045
Energy: 1.6569494364313908
Energy: 1.412385630088741
Energy: 1.5798197972072436
Energy: 1.4098375580467697
Energy: 1.4375269828574688
Energy: 1.4098375580462046
Energy: 1.5801732587227926
Energy: 1.41128209181454
Energy: 1.41199451408811
Energy: 1.4112820918151054
Energy: 1.5629140373276778
Energy: 1.4146761986708756
Energy: 1.4152311843662755
Energy: 1.414676198669745
Energy: 1.4681489723723056
Energy: 1.4888750495722733
Energy: 1.430542209992389
Energy: 1.4888750495734038
Energy: 1.5630176156172428
Energy: 1.4855226415812968
Energy: 1.4122227246345134
Energy: 1.4855226415824274
Energy: 1.5633723329086249
Energy: 1.56550668420072
Energy: 1.6592217213385927
Energy: 1.5655066842012855
Energy: 1.5803824861621787
Energy: 1.3625331466205404
Energy: 1.4228772362969657
Energy: 1.3625331466154522
Energy: 1.5627766309103281
Energy: 1.3640680497261866
Energy: 1.3622495461136646
Energy: 1.364068049725056
Energy: 1.659055639151333
Energy: 1.3634471700830764
Energy: 1.3627148127779152
Energy: 1.3634471700836417
Energy: 1.6558972768535627
Energy: 1.3614203829837885
Energy: 1.3621772344976248
Energy: 1.3614203829832232
Energy: 1.6558863182140964
Energy: 1.3627513366290767
Energy: 1.3609338083263505
Energy: 1.3627513366290767
Energy: 1.5828337000755712
Energy: 1.5632598985745019
Energy: 1.58413617857919
Energy: 1.5632598985733712
Energy: 1.5648861897205726
Energy: 1.5626919171770681
Energy: 1.5825755622355167
Energy: 1.5626919171765026
Energy: 1.4314461765498279
Energy: 1.487587440845914
Energy: 1.4117621131604072
Energy: 1.487587440845914
Energy: 1.5638461086142637
Energy: 1.4333067722518236
Energy: 1.3688375157232882
Energy: 1.4333067722518236
Energy: 1.5207092706543825
Energy: 1.410505086804693
Energy: 1.4108637685383092
Energy: 1.4105050868035625
Energy: 1.6571512152468928
Energy: 1.5101807760097765
Energy: 1.430086222637297
Energy: 1.5101807760086456
Energy: 1.4328928725451293
Energy: 1.4102222032078235
Energy: 1.5796280927089486
Energy: 1.4102222032066927
Energy: 1.412398997542702
Energy: 1.412129027231869
Energy: 1.5632100078437294
Energy: 1.412129027232434
Energy: 1.4141634251690276
Energy: 1.4113879216487777
Energy: 1.5634629903679946
Energy: 1.4113879216476473
Energy: 1.4305558305499897
Energy: 1.4886220597591073
Energy: 1.4683021490155364
Energy: 1.4886220597596727
Energy: 1.412081931223744
Energy: 1.4878882943660243
Energy: 1.4677237583384424
Energy: 1.4878882943654592
Energy: 1.6587748093463195
Energy: 1.564634321722882
Energy: 1.563139036833487
Energy: 1.564634321722882

minimum gb energy = 1.3609338083263505 eV
minimum distance =  2.56410619793275 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.7467803506569342
Energy: 1.4947794483983992
Energy: 1.494978895923176
Energy: 1.3757799800088655
Energy: 1.373695176178465
Energy: 1.372104759201909
Energy: 1.5103731681745325
Energy: 1.3721047592028064
Energy: 1.3695538817203639
Energy: 1.3717073889195721
Energy: 1.491249687802112
Energy: 1.3717073889186748
Energy: 1.3725657024792421
Energy: 1.3739764284378122
Energy: 1.6279156942900068
Energy: 1.3739764284378122
Energy: 1.3732557654295683
Energy: 1.3734966486080666
Energy: 1.6258555313251006
Energy: 1.3734966486071696
Energy: 1.3722778202697399
Energy: 1.3731915192768402
Energy: 1.6257421825874012
Energy: 1.3731915192777373
Energy: 1.5050960247582719
Energy: 1.4947382172144443
Energy: 1.5149507468690462
Energy: 1.4947382172135475
Energy: 1.506616447418693
Energy: 1.4935681826378155
Energy: 1.4928377145227025
Energy: 1.4935681826378155
Energy: 1.4948257706145278
Energy: 1.494726120407058
Energy: 1.495361631407535
Energy: 1.494726120411543
Energy: 1.3794895715255127
Energy: 1.494799901143664
Energy: 1.4947483724036081
Energy: 1.494799901143664
Energy: 1.4929842789469379
Energy: 1.4938928582768722
Energy: 1.5087240841724534
Energy: 1.4938928582777693
Energy: 1.5167226668248797
Energy: 1.4945071741867015
Energy: 1.627753341281211
Energy: 1.4945071741849076
Energy: 1.4904415467974468
Energy: 1.3725288678767358
Energy: 1.3725284333280492
Energy: 1.3725288678767358
Energy: 1.4928308569755186
Energy: 1.3746078110469009
Energy: 1.3735961782616182
Energy: 1.3746078110469009
Energy: 1.6273867991249402
Energy: 1.3717220472179166
Energy: 1.370375698343048
Energy: 1.3717220472179166
Energy: 1.6261038945112538
Energy: 1.3725368033109502
Energy: 1.3707494200374062
Energy: 1.3725368033100533
Energy: 1.6259103093550782
Energy: 1.3725432105691475
Energy: 1.3731116857190626
Energy: 1.3725432105691475
Energy: 1.517420297648166
Energy: 1.4948510281841243
Energy: 1.6285054805389443
Energy: 1.4948510281850214
Energy: 1.4937245617820922
Energy: 1.4955445229295912
Energy: 1.5069633975953427
Energy: 1.4955445229304882
Energy: 1.4921407018911237
Energy: 1.4709629088196088
Energy: 1.4959268970230022
Energy: 1.470962908818712
Energy: 1.493034592437927
Energy: 1.4719669276412082
Energy: 1.381844557731484
Energy: 1.4719669276403113
Energy: 1.6278648433087175
Energy: 1.4934802574930304
Energy: 1.4944090139338613
Energy: 1.4934802574930304

minimum gb energy = 1.3695538817203639 eV
minimum distance =  2.56739660447747 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.3719097387101824
Energy: 1.4940762703036932
Energy: 1.59482487699769
Energy: 1.4004733180690272
Energy: 1.4317304155776482
Energy: 1.4932385665582115
Energy: 1.5134319686035294
Energy: 1.4932385665569428
Energy: 1.380251543403754
Energy: 1.383441885644904
Energy: 1.5122377682311523
Energy: 1.3834418856468067
Energy: 1.3863818660628027
Energy: 1.387615534895064
Energy: 1.6641065691991126
Energy: 1.3876155348931614
Energy: 1.3787557577545768
Energy: 1.3798636661640316
Energy: 1.5955954219852189
Energy: 1.3798636661614947
Energy: 1.3962168006496816
Energy: 1.3796441863817892
Energy: 1.5953745024537476
Energy: 1.3796441863817892
Energy: 1.582770237080701
Energy: 1.3814052022898056
Energy: 1.3919020302084353
Energy: 1.381405202287903
Energy: 1.5096145407095862
Energy: 1.3787127296954793
Energy: 1.376932524556673
Energy: 1.3787127296967479
Energy: 1.5821598506407533
Energy: 1.3913258988833381
Energy: 1.3888504765771785
Energy: 1.3913258988820694
Energy: 1.596491679641617
Energy: 1.5826936005904482
Energy: 1.378566348633989
Energy: 1.5826936005815686
Energy: 1.5116851243286196
Energy: 1.4904266933746335
Energy: 1.5025503949981882
Energy: 1.4904266933727308
Energy: 1.4941171629630459
Energy: 1.4954585735278136
Energy: 1.5838673217262955
Energy: 1.4954585735303505
Energy: 1.4931287246309786
Energy: 1.49242467437477
Energy: 1.4932903225153442
Energy: 1.4924246743754042
Energy: 1.4933094372140228
Energy: 1.4726362919014786
Energy: 1.3868371602057423
Energy: 1.4726362919033813
Energy: 1.4925746494740426
Energy: 1.4933855851410958
Energy: 1.3867047868045004
Energy: 1.4933855851385585
Energy: 1.5680084309848112
Energy: 1.4949557758293999
Energy: 1.4932130381147315
Energy: 1.494955775831937
Energy: 1.4904363307743869
Energy: 1.490655277137689
Energy: 1.512108646874006
Energy: 1.4906552771395916
Energy: 1.378514161601962
Energy: 1.5829854987028866
Energy: 1.5113301251648066
Energy: 1.582985498703521
Energy: 1.3889684628499877
Energy: 1.3915005795095534
Energy: 1.582273095365317
Energy: 1.3915005795133593
Energy: 1.3788248115481951
Energy: 1.3785794624662497
Energy: 1.4956506370388183
Energy: 1.3785794624681522
Energy: 1.392206134719315
Energy: 1.3813778361338083
Energy: 1.595925704187714
Energy: 1.3813778361344426
Energy: 1.5837412556876873
Energy: 1.379597027962169
Energy: 1.3968388109245142
Energy: 1.3795970279615348
Energy: 1.5852567774912034
Energy: 1.3799407567406958
Energy: 1.378880772210306
Energy: 1.3799407567381874
Energy: 1.63652810578976
Energy: 1.3883846503767956
Energy: 1.3870878583138824
Energy: 1.3883846503742585
Energy: 1.5960580644882858
Energy: 1.3832508628499818
Energy: 1.3805728788058584
Energy: 1.3832508628493474
Energy: 1.597981701462382
Energy: 1.4930338959780391
Energy: 1.381868237306604
Energy: 1.4930338959837473
Energy: 1.4928671050106848
Energy: 1.4929745944763324
Energy: 2.0174506462936
Energy: 1.4929745944782353
Energy: 1.4903599064842914
Energy: 1.4936049751015432
Energy: 1.4922798376858646
Energy: 1.4936049750983715
Energy: 1.5139975706159556
Energy: 1.467932570331731
Energy: 1.4930951033345221
Energy: 1.467932570331731
Energy: 1.4899524927207686
Energy: 1.4926604812560378
Energy: 1.387211323257681
Energy: 1.4926604812604776
Energy: 1.5694325504464564
Energy: 1.4913381595767772
Energy: 1.4921447147992648
Energy: 1.4913381595786512

minimum gb energy = 1.376932524556673 eV
minimum distance =  2.55521866592702 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.3344440472161072
Energy: 1.443774214857407
Energy: 1.3568674761240804
Energy: 1.3353236615493878
Energy: 1.3511675943587855
Energy: 1.4418564558554121
Energy: 1.3480645169366188
Energy: 1.441856455855191
Energy: 1.3509562862900226
Energy: 1.4367168338233032
Energy: 1.3361302291579387
Energy: 1.4367168338224194
Energy: 1.3413643742231547
Energy: 1.352784691704564
Energy: 1.351751920348027
Energy: 1.3527846917047848
Energy: 1.3522363510597963
Energy: 1.353338783492896
Energy: 1.3397475087687472
Energy: 1.3533387834926751
Energy: 1.352635572074086
Energy: 1.4424166560825753
Energy: 1.340575082371136
Energy: 1.4424166560823544
Energy: 1.335780326279499
Energy: 1.4371678589616697
Energy: 1.3515630937106458
Energy: 1.4371678589595096
Energy: 1.348122182637797
Energy: 1.3504223488962919
Energy: 1.3425260845484048
Energy: 1.350422348896513
Energy: 1.3427275738975735
Energy: 1.3492479287059176
Energy: 1.3491419046005606
Energy: 1.3492479287065804

minimum gb energy = 1.3344440472161072 eV
minimum distance =  2.57272394072686 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 2.033753668419266
Energy: 1.2772977377797856
Energy: 1.4987742989835264
Energy: 1.2577233356004631
Energy: 1.4979692288975857
Energy: 1.2799887789564282
Energy: 1.5089998704143612
Energy: 1.2799887789570275
Energy: 1.5083955310869626
Energy: 1.3736023935085242
Energy: 1.5117676511743428
Energy: 1.373602393510921
Energy: 1.4222726051986512
Energy: 1.372540846962889
Energy: 1.4982337327048691
Energy: 1.3725408469592943
Energy: 1.38910123892858
Energy: 1.276039594555189
Energy: 1.4081319943560362
Energy: 1.2760395945533916
Energy: 1.277796122783106
Energy: 1.2763673345790902
Energy: 1.4079794436751265
Energy: 1.2763673345808877
Energy: 1.2756934378134617
Energy: 1.2749502461489008
Energy: 1.499538786248351
Energy: 1.2749502461495
Energy: 1.2883242737405884
Energy: 1.2813396374030064
Energy: 1.5917279510746958
Energy: 1.2813396374054027
Energy: 1.4772530770504746
Energy: 1.3181645324980997
Energy: 1.598217938018532
Energy: 1.318164532498699
Energy: 1.5885935733085539
Energy: 1.2601700697225608
Energy: 1.2613612364209754
Energy: 1.2601700697261558
Energy: 1.4759524048175783
Energy: 1.2566090325336985
Energy: 1.256834193859621
Energy: 1.2566090325307029
Energy: 1.5895131827278217
Energy: 1.2567362626850558
Energy: 1.257355785084654
Energy: 1.2567362626838576
Energy: 1.5898402676239085
Energy: 1.2570052683444017
Energy: 1.2717140947773935
Energy: 1.2570052683408068
Energy: 1.3821102646926082
Energy: 1.4492013261817653
Energy: 1.5887003971976819
Energy: 1.4492013261799679
Energy: 1.3643411659760791
Energy: 1.2439172846615676
Energy: 1.5884069765619597
Energy: 1.2439172846627657
Energy: 1.3604230887762139
Energy: 1.243995277979636
Energy: 1.2983426572743417
Energy: 1.2439952779784376
Energy: 1.362019076647091
Energy: 1.243309191657218
Energy: 1.2967268700463148
Energy: 1.243309191660813
Energy: 1.5808125009122878
Energy: 1.244740186703128
Energy: 1.2991618448734235
Energy: 1.244740186698934
Energy: 1.5775993229804817
Energy: 1.3431576493079478
Energy: 1.3194700548592215
Energy: 1.3431576493049522
Energy: 1.5773525175960494
Energy: 1.286178681228452
Energy: 1.4223281292718282
Energy: 1.2861786812260556
Energy: 1.4072681374132414
Energy: 1.2851352586661984
Energy: 1.300898421139592
Energy: 1.285135258665599
Energy: 1.4161946289083902
Energy: 1.2836276579159112
Energy: 1.2842980753201272
Energy: 1.2836276579177086
Energy: 1.668499660312261
Energy: 1.2837152416567945
Energy: 1.2852714165644026
Energy: 1.2837152416561954
Energy: 1.5920709995895261
Energy: 1.2881516228580483
Energy: 1.2949501205146614
Energy: 1.288151622857449
Energy: 1.5915270479950252
Energy: 1.4317291204442086
Energy: 1.3051293003763527
Energy: 1.4317291204472045
Energy: 1.2504538680976134
Energy: 1.333303469354038
Energy: 1.5892686711729027
Energy: 1.3333034693498438
Energy: 1.2491137885597163
Energy: 1.2491109865550227
Energy: 1.3079043019882923
Energy: 1.249110986553225
Energy: 1.249172045212189
Energy: 1.2484881570767956
Energy: 1.3936697636881799
Energy: 1.2484881570767956
Energy: 1.3637025990010518
Energy: 1.2498098722226592
Energy: 1.5898581014534126
Energy: 1.2498098722196636
Energy: 1.5883692160293412
Energy: 1.3146171752556208
Energy: 1.3033995766183557
Energy: 1.3146171752550215
Energy: 1.588072709152485
Energy: 1.276464124573272
Energy: 1.2801090861172284
Energy: 1.2764641245726729
Energy: 1.496968625765841
Energy: 1.2760605128238387
Energy: 1.279740231458655
Energy: 1.276060512820843
Energy: 1.286708727346547
Energy: 1.2744913112477159
Energy: 1.275140307986321
Energy: 1.2744913112501126

minimum gb energy = 1.243309191657218 eV
minimum distance =  2.54067414630476 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 2.029402162827012
Energy: 1.2082917598866343
Energy: 1.2103162612776819
Energy: 1.173400265976977
Energy: 1.2095871314000195
Energy: 1.211564043906271
Energy: 1.5250359835935459
Energy: 1.2115640439070994
Energy: 1.5325179559822797
Energy: 1.3341043055553958
Energy: 1.5327156005468163
Energy: 1.3341043055570525
Energy: 1.2374146467278049
Energy: 1.3347957062481381
Energy: 1.5167670773952244
Energy: 1.3347957062481381
Energy: 1.207133115778467
Energy: 1.2062199187297469
Energy: 1.5268447436073347
Energy: 1.2062199187314038
Energy: 1.2053821330976757
Energy: 1.206637584690042
Energy: 1.526758323216956
Energy: 1.206637584690042
Energy: 1.2043689650935883
Energy: 1.2055032015461673
Energy: 1.5183787954366785
Energy: 1.2055032015469958
Energy: 1.2158050017899271
Energy: 1.2130962747792382
Energy: 1.7905669787261003
Energy: 1.2130962747808949
Energy: 1.5201992835041047
Energy: 1.2639085035700455
Energy: 1.7903978246280348
Energy: 1.2639085035700455
Energy: 1.5269198258245338
Energy: 1.2174595457678814
Energy: 1.2100293621529226
Energy: 1.2174595457678814
Energy: 1.5202504293029029
Energy: 1.2053819005908613
Energy: 1.2038816240416488
Energy: 1.2053819005933464
Energy: 1.7873564698669795
Energy: 1.2079025004180126
Energy: 1.2066775323288463
Energy: 1.207902500418841
Energy: 1.787856061753685
Energy: 1.2061929533742042
Energy: 1.2063871632176646
Energy: 1.2061929533733757
Energy: 1.5164493318086638
Energy: 1.332911105798284
Energy: 1.5314979269058882
Energy: 1.332911105798284
Energy: 1.239157713613773
Energy: 1.3332573408435777
Energy: 1.5307919393983629
Energy: 1.3332573408427493
Energy: 1.2387758149184849
Energy: 1.2091653054514435
Energy: 1.5169011485348614
Energy: 1.2091653054514435
Energy: 1.2062454132697056
Energy: 1.2066168915508522
Energy: 1.5303416690547618
Energy: 1.2066168915500237
Energy: 1.2109276808475116
Energy: 1.2150013545048066
Energy: 1.5131594582613077
Energy: 1.2150013545064446
Energy: 1.204455072671426
Energy: 1.2055788994205456
Energy: 1.7905678185657892
Energy: 1.2055788994197172
Energy: 1.207549089710037
Energy: 1.2146006857642513
Energy: 1.791634506409479
Energy: 1.2146006857650797
Energy: 1.5268373972940354
Energy: 1.2638306990419839
Energy: 1.5165963600657792
Energy: 1.2638306990403272
Energy: 1.5285698823884333
Energy: 1.2094100931001295
Energy: 1.2128301357266082
Energy: 1.2094100931017864
Energy: 1.517314778703681
Energy: 1.2068727586816124
Energy: 1.207383019559863
Energy: 1.2068727586840975
Energy: 1.7883100045543838
Energy: 1.20617972271808
Energy: 1.204925325305005
Energy: 1.2061797227189084

minimum gb energy = 1.173400265976977 eV
minimum distance =  2.55577497945281 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.3264423816866788
Energy: 1.1815570443366918
Energy: 1.433338502119895
Energy: 1.156692477826184
Energy: 1.179174647082529
Energy: 1.183005486307904
Energy: 1.3801401544906025
Energy: 1.1830054863084163
Energy: 1.553940563018031
Energy: 1.1770702953394117
Energy: 1.3837471773417636
Energy: 1.1770702953419718
Energy: 1.548838229465179
Energy: 1.241772615013757
Energy: 1.3740905831481685
Energy: 1.2417726150127328
Energy: 1.3540864266843462
Energy: 1.1574830877593236
Energy: 1.4332847045055839
Energy: 1.1574830877588116
Energy: 1.157849953472086
Energy: 1.1568333540358753
Energy: 1.5570247206999237
Energy: 1.1568333540368991
Energy: 1.1576411714372608
Energy: 1.156464849390554
Energy: 1.1984934020238913
Energy: 1.156464849390554
Energy: 1.159137948532854
Energy: 1.1567496483098199
Energy: 1.2969538403968555
Energy: 1.1567496483093078
Energy: 1.5623467016103378
Energy: 1.15639529714152
Energy: 1.5547529663257105
Energy: 1.1563952971410079
Energy: 1.3853194200145296
Energy: 1.2460718078796607
Energy: 1.3756917314125419
Energy: 1.2460718078822208
Energy: 1.5604525716826958
Energy: 1.1765020027390174
Energy: 1.1949966409646102
Energy: 1.1765020027395294
Energy: 1.5568626332791964
Energy: 1.176705923240237
Energy: 1.3763791210929466
Energy: 1.176705923240749
Energy: 1.431161473637339
Energy: 1.1758959324385763
Energy: 1.177007524808457
Energy: 1.1758959324375522
Energy: 1.3823460716393807
Energy: 1.177474437515263
Energy: 1.1793806911670244
Energy: 1.177474437515263
Energy: 1.5613597932592893
Energy: 1.1818539798495997
Energy: 1.1828048665223476
Energy: 1.1818539798501118
Energy: 1.5634449069962366
Energy: 1.1780367794803703
Energy: 1.1797678752957927
Energy: 1.1780367794783222
Energy: 1.1776426899093273
Energy: 1.1878944008579595
Energy: 1.4241866550748254
Energy: 1.1878944008600074
Energy: 1.1771528767042108
Energy: 1.1763926338758517
Energy: 1.5631221109868507
Energy: 1.1763926338758517
Energy: 1.1791165385693168
Energy: 1.180523626949902
Energy: 1.3783596652973462
Energy: 1.180523626949902
Energy: 1.1794410899548824
Energy: 1.1770154851236778
Energy: 1.2972111145162288
Energy: 1.1770154851216297
Energy: 1.3818676083587036
Energy: 1.1801442038969367
Energy: 1.355213952397606
Energy: 1.1801442038954006
Energy: 1.3830617859870746
Energy: 1.1833049305645906
Energy: 1.5572010537501517
Energy: 1.1833049305635666
Energy: 1.3745578455056644
Energy: 1.2391399403185024
Energy: 1.5481301920118211
Energy: 1.2391399403185024
Energy: 1.4237937606100355
Energy: 1.1586046264553702
Energy: 1.354260304104609
Energy: 1.1586046264569063
Energy: 1.5567586951788697
Energy: 1.1566213386938184
Energy: 1.1571893905528396
Energy: 1.1566213386933064
Energy: 1.3752387158567503
Energy: 1.1574361535427287
Energy: 1.158547959271953
Energy: 1.1574361535427287
Energy: 1.2974191152515147
Energy: 1.156313236340119
Energy: 1.1583447663824833
Energy: 1.156313236341655
Energy: 1.3778813526559763
Energy: 1.1571356772641994
Energy: 1.5651750794347439
Energy: 1.1571356772647114
Energy: 1.3778792876769677
Energy: 1.2409761161449075
Energy: 1.3831631139187583
Energy: 1.2409761161459314
Energy: 1.1962675018964963
Energy: 1.176587088077602
Energy: 1.5594093487899632
Energy: 1.1765870880786262
Energy: 1.3746422180776332
Energy: 1.176225806719256
Energy: 1.55681657178848
Energy: 1.176225806721816
Energy: 1.1768866387266
Energy: 1.1759647893603102
Energy: 1.5572821577597837
Energy: 1.1759647893603102
Energy: 1.1771258986658593
Energy: 1.1762684098478466
Energy: 1.3832081881496285
Energy: 1.1762684098468223
Energy: 1.1910340418993657
Energy: 1.1825792519283158
Energy: 1.5468860009998084
Energy: 1.1825792519267797
Energy: 1.3879753622991235
Energy: 1.2130024915464737
Energy: 1.563132102074315
Energy: 1.2130024915444257
Energy: 1.4244154213229374
Energy: 1.1781990218658704
Energy: 1.1782765505561983
Energy: 1.1781990218668943
Energy: 1.5622534515326167
Energy: 1.1760217781941449
Energy: 1.1763679446013564
Energy: 1.176021778195169
Energy: 1.5550659839929224
Energy: 1.1775506371998312
Energy: 1.1798447441518303
Energy: 1.1775506372003433

minimum gb energy = 1.156313236340119 eV
minimum distance =  2.55122697440383 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 2.3600861057482305
Energy: 1.0770991316383765
Energy: 1.0799525627902198
Energy: 1.0703790379106908
Energy: 1.0800168452013181
Energy: 1.180527518707735
Energy: 1.081454899564135
Energy: 1.180527518707598
Energy: 1.0745751348808597
Energy: 1.1803235761143978
Energy: 1.0797329523236887
Energy: 1.1803235761141238
Energy: 1.0713802847352063
Energy: 1.1712671136160715
Energy: 1.0753286926671406
Energy: 1.171267113616741
Energy: 1.0749002062703295
Energy: 1.0777926935123554
Energy: 1.0892640861584681
Energy: 1.0777926935130253
Energy: 1.0791483540276527
Energy: 1.075361537167239
Energy: 1.0881638463607206
Energy: 1.075361537167376
Energy: 1.075644530963975
Energy: 1.0740553752441138
Energy: 1.0768642624041866
Energy: 1.074055375244647
Energy: 1.0745843650569102
Energy: 1.076174603644197
Energy: 1.0699436841948307
Energy: 1.0761746036439233
Energy: 1.0800345902716035
Energy: 1.0739465220782969
Energy: 1.0690960191142889
Energy: 1.073946522078038
Energy: 1.0786881033689526
Energy: 1.170487328502903
Energy: 1.0796464361942988
Energy: 1.170487328502644
Energy: 1.0770380412250586
Energy: 1.1694077400577596
Energy: 1.0686783494614678
Energy: 1.1694077400574856
Energy: 1.0716449053102008
Energy: 1.07406096037489
Energy: 1.0780630857596403
Energy: 1.07406096037489
Energy: 1.0900245567218705
Energy: 1.0772021353265053
Energy: 1.075076077276646
Energy: 1.0772021353271752
Energy: 1.0760177770392778
Energy: 1.0733316631071008
Energy: 1.0742214791487532
Energy: 1.0733316631071008
Energy: 1.068340621955008
Energy: 1.0775353487748316
Energy: 1.0804208076647692
Energy: 1.0775353487755015

minimum gb energy = 1.068340621955008 eV
minimum distance =  2.57933551816462 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 2.194526205421435
Energy: 0.9931963277418455
Energy: 1.2901967871106124
Energy: 0.9884653625280783
Energy: 1.2111023058020987
Energy: 0.9929202314053386
Energy: 1.215239378195834
Energy: 0.9929202314059002
Energy: 1.2212618427518647
Energy: 0.9908756262540762
Energy: 1.218413860427679
Energy: 0.9908756262557606
Energy: 1.3179594802376022
Energy: 0.9900728707619204
Energy: 1.2168170473451805
Energy: 0.9900728707591129
Energy: 1.217615492624957
Energy: 0.9987714781112389
Energy: 1.1094086325473713
Energy: 0.9987714781101158
Energy: 1.2157557955035438
Energy: 0.9959789936122277
Energy: 1.1062826120096012
Energy: 0.9959789936139123
Energy: 1.2166516694692335
Energy: 0.9936784027479738
Energy: 1.2143051614656688
Energy: 0.9936784027485354
Energy: 1.135003659852584
Energy: 0.9940951764318581
Energy: 1.3157405279797363
Energy: 0.9940951764284888
Energy: 0.992604922558252
Energy: 0.9919236354051107
Energy: 1.1302017876864052
Energy: 0.9919236354039878
Energy: 0.9928355574719465
Energy: 0.9923908332978209
Energy: 1.2244000844493095
Energy: 0.992390833291644
Energy: 0.9962869954145915
Energy: 0.9938749840432526
Energy: 1.1161627722896958
Energy: 0.9938749840404448
Energy: 0.996018099174943
Energy: 1.0512504955095872
Energy: 1.2238488136854186
Energy: 1.051250495512395
Energy: 0.999540861580358
Energy: 1.195086877065585
Energy: 1.2135673190089604
Energy: 1.195086877062216
Energy: 0.999138324010851
Energy: 1.1886498486068124
Energy: 1.3184039681508515
Energy: 1.1886498486096202
Energy: 1.3159495323793502
Energy: 0.9792402530437005
Energy: 1.2139789268308046
Energy: 0.9792402530437005
Energy: 1.3159293755225985
Energy: 0.9812035627599238
Energy: 1.0951848335425525
Energy: 0.9812035627616083
Energy: 0.9966843432163222
Energy: 0.9789955331351494
Energy: 1.095172184836499
Energy: 0.978995533133465
Energy: 1.001140212643108
Energy: 0.9795050356660282
Energy: 1.0946084729591903
Energy: 0.979505035673328
Energy: 1.4217437157778754
Energy: 0.9790291184393028
Energy: 1.3138621194161157
Energy: 0.9790291184376183
Energy: 0.9949805276748772
Energy: 0.978802999913365
Energy: 1.3135936718023873
Energy: 0.9788029999099959
Energy: 1.3192046308287255
Energy: 0.981915824461875
Energy: 1.314853903885127
Energy: 0.9819158244629981
Energy: 0.9943735744163498
Energy: 1.1847374312811862
Energy: 1.1053402760741773
Energy: 1.184737431284555
Energy: 0.9943768467396976
Energy: 0.9943676066123146
Energy: 1.1105737205474386
Energy: 0.9943676066134375
Energy: 1.1178807942523705
Energy: 1.1780984316439862
Energy: 1.217070979124904
Energy: 1.1780984316439862
Energy: 0.9952927240515519
Energy: 0.9928770298644186
Energy: 1.3160153895914395
Energy: 0.992877029863857
Energy: 0.9940724541134695
Energy: 0.9928831639794126
Energy: 1.315880107074814
Energy: 0.9928831639782896
Energy: 0.9923930105501766
Energy: 0.991898451905742
Energy: 1.217371635300057
Energy: 0.9918984519063033
Energy: 0.9935971290858541
Energy: 0.9923278577285616
Energy: 1.111720286014615
Energy: 0.9923278577274386
Energy: 1.2109374662177443
Energy: 0.9932326481980432
Energy: 1.3436529788563993
Energy: 0.9932326481969203
Energy: 1.3391519330809067
Energy: 1.0491051815165353
Energy: 1.220113795135475
Energy: 1.0491051815159738
Energy: 1.4274972496502953
Energy: 1.0535685119154083
Energy: 1.3181595504987489
Energy: 1.0535685119255156
Energy: 1.3159596190250378
Energy: 0.9923940041608879
Energy: 1.2199063127821381
Energy: 0.9923940041558342
Energy: 1.3156481867071705
Energy: 0.9903048461769213
Energy: 0.9908571118710765
Energy: 0.9903048461757984
Energy: 1.428972338529376
Energy: 0.9896041118710405
Energy: 0.9899190418085568
Energy: 0.9896041118682327
Energy: 1.3435879951830667
Energy: 0.9900411427988102
Energy: 0.9912929181988346
Energy: 0.9900411428010563

minimum gb energy = 0.9788029999099959 eV
minimum distance =  2.56124214379895 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.8069333437298427
Energy: 0.8941567536487673
Energy: 0.9002903475492356
Energy: 0.8938010120007318
Energy: 1.263591842466417
Energy: 0.89162992769179
Energy: 1.2630244027274664
Energy: 0.89162992769179
Energy: 1.6309489124062684
Energy: 0.8913604418468981
Energy: 1.2692796951282546
Energy: 0.8913604418468981
Energy: 1.6282760142678114
Energy: 0.9964187482873732
Energy: 0.9039008806160194
Energy: 0.9964187482864073
Energy: 0.9026788625561747
Energy: 0.9970434517971435
Energy: 1.2681068838694634
Energy: 0.9970434517971435
Energy: 0.8905228797699146
Energy: 0.8923057695246095
Energy: 1.2635098515908172
Energy: 0.8923057695275077
Energy: 0.8895842813299984
Energy: 0.8906219108106544
Energy: 1.264330077607721
Energy: 0.8906219108116205
Energy: 0.9007660029067807
Energy: 0.8933602218719445
Energy: 1.261453032242385
Energy: 0.8933602218719445
Energy: 0.8918948684808274
Energy: 0.8908746712893434
Energy: 1.260566340197928
Energy: 0.8908746712893434
Energy: 0.8905806683765888
Energy: 0.8911690444058104
Energy: 0.8887383042122106
Energy: 0.8911690444067764
Energy: 0.9002903475666032
Energy: 0.8938010119997658
Energy: 1.8069333437298427
Energy: 0.8941567538139013
Energy: 1.2630244027265003
Energy: 0.89162992769179
Energy: 1.263591842466417
Energy: 0.89162992769179
Energy: 1.2692796951282546
Energy: 0.8913604418468981
Energy: 1.6309489124062684
Energy: 0.8913604418468981
Energy: 0.9039008806131211
Energy: 0.9964187482873732
Energy: 1.6282760142678114
Energy: 0.9964187482864073
Energy: 1.2681068838704295
Energy: 0.9970434517971435
Energy: 0.9026788625571408
Energy: 0.9970434517971435
Energy: 1.2635098516188115
Energy: 0.8923057695275077
Energy: 0.8905228797699146
Energy: 0.8923057695284737
Energy: 1.2643300776096533
Energy: 0.8906219108106544
Energy: 0.8895842813299984
Energy: 0.8906219108116205
Energy: 1.2614530321303858
Energy: 0.8933602218709784
Energy: 0.9007660029067807
Energy: 0.8933602218709784
Energy: 1.260566340196962
Energy: 0.8908746712883773
Energy: 0.8918948684817934
Energy: 0.8908746712893434
Energy: 0.8887383042112446
Energy: 0.8911690444058104
Energy: 0.8905806683756228
Energy: 0.8911690444058104

minimum gb energy = 0.8887383042112446 eV
minimum distance =  2.57936755850233 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 2.1950363801809325
Energy: 0.7736718697411558
Energy: 0.7739350884112061
Energy: 0.7784170803540206
Energy: 1.3982843810845265
Energy: 0.7707838468621969
Energy: 1.0802986310190241
Energy: 0.7707838468637057
Energy: 1.9144242340605722
Energy: 0.7715402847054439
Energy: 1.0860686089387699
Energy: 0.7715402847061984
Energy: 1.386170658014016
Energy: 0.7749321967028806
Energy: 1.0814734823459364
Energy: 0.7749321967028806
Energy: 1.3953016729885248
Energy: 0.859212578508145
Energy: 1.6518686025315812
Energy: 0.859212578508145
Energy: 1.388614750945992
Energy: 0.8572440329329257
Energy: 1.6544407578640523
Energy: 0.8572440329314169
Energy: 1.3914473825870077
Energy: 0.8591690117098302
Energy: 1.3957265774981937
Energy: 0.859169011707567
Energy: 1.0822278486754962
Energy: 0.7752012917592812
Energy: 1.6493864767914326
Energy: 0.7752012917592812
Energy: 1.0841078170927168
Energy: 0.7714063574073736
Energy: 1.6517153842744667
Energy: 0.7714063574058648
Energy: 1.0805322917731621
Energy: 0.7729603055473315
Energy: 1.6523196239046258
Energy: 0.7729603055473315
Energy: 0.7753077217365443
Energy: 0.774670711915158
Energy: 1.8368361026958189
Energy: 0.7746707119144036
Energy: 0.7712051780353709
Energy: 0.7729214351549776
Energy: 1.6520739283015375
Energy: 0.7729214351549776
Energy: 0.772979732136824
Energy: 0.7717796444186732
Energy: 1.3870364783043214
Energy: 0.7717796444194275
Energy: 0.7732211616219067
Energy: 0.7718201524135992
Energy: 1.908664136638855
Energy: 0.7718201524113362
Energy: 1.0841072780508356
Energy: 0.7709971612628203
Energy: 1.3960784739334424
Energy: 0.7709971612635746
Energy: 1.080131710885991
Energy: 0.7707092039178847
Energy: 1.9107424651634621
Energy: 0.7707092039178847
Energy: 1.395653766633484
Energy: 0.7721951361658617
Energy: 1.9103537318312303
Energy: 0.7721951361681247
Energy: 1.0837765372442578
Energy: 0.8625359542283416
Energy: 1.3949410974198129
Energy: 0.8625359542275872
Energy: 1.651331893469832
Energy: 0.8583316035124204
Energy: 1.390318684920314
Energy: 0.858331603511666
Energy: 1.3971456250025218
Energy: 0.8576322386598968
Energy: 1.3895183641822044
Energy: 0.8576322386591424
Energy: 1.6489215199017122
Energy: 0.7731078490660931
Energy: 1.0858258886932048
Energy: 0.7731078490660931
Energy: 1.3967482208939217
Energy: 0.7703589205726442
Energy: 0.7722557864311429
Energy: 0.7703589205733986
Energy: 1.6494379323099206
Energy: 0.7716779481357547
Energy: 1.079506793767044
Energy: 0.7716779481365091
Energy: 1.6496873733420303
Energy: 0.7719382375537116
Energy: 0.7723025830940302
Energy: 0.7719382375537116
Energy: 1.3973348163714983
Energy: 0.7709394715203793
Energy: 0.7716405012146672
Energy: 0.7709394715188705
Energy: 1.90822455148882
Energy: 0.772152164346907
Energy: 0.7719159892483244
Energy: 0.7721521643476614

minimum gb energy = 0.7703589205726442 eV
minimum distance =  2.58155570949963 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 2.1159390051020903
Energy: 0.6878757392484228
Energy: 1.0281336276362008
Energy: 0.6872162428686746
Energy: 1.6663012861080324
Energy: 0.68578018618613
Energy: 0.9453209435486277
Energy: 0.6857801861867485
Energy: 2.0919293585115724
Energy: 0.6857099570617623
Energy: 0.9458811713143355
Energy: 0.6857099570629992
Energy: 1.6570827114792144
Energy: 0.6862884478155592
Energy: 1.2140787084043319
Energy: 0.6862884478155592
Energy: 1.6647957764422452
Energy: 0.6842022594066618
Energy: 1.4371284234875923
Energy: 0.6842022594072803
Energy: 1.6620746500415997
Energy: 0.6865532246733028
Energy: 1.4340853832752922
Energy: 0.6865532246881461
Energy: 1.6655825778365774
Energy: 0.7589368659642085
Energy: 1.6640960762355417
Energy: 0.7589368659660639
Energy: 1.4405687651279264
Energy: 0.7612873695028507
Energy: 1.4393617965884977
Energy: 0.7612873695009953
Energy: 1.2060273634143175
Energy: 0.6854503896201692
Energy: 1.8778256875702846
Energy: 0.6854503896214063
Energy: 1.20431086435809
Energy: 0.6844476353239903
Energy: 1.66721850516046
Energy: 0.6844476353264641
Energy: 0.9548587486143085
Energy: 0.6887484607026118
Energy: 1.6631350429414506
Energy: 0.6887484607013749
Energy: 0.9472970740556046
Energy: 0.6846424388293708
Energy: 1.6657848911027389
Energy: 0.6846424388287523
Energy: 0.9453851394020004
Energy: 0.6858304853472514
Energy: 1.8750411894348606
Energy: 0.6858304853472514
Energy: 0.6888514338685322
Energy: 0.6867887934029626
Energy: 1.8725146706080094
Energy: 0.6867887934017257
Energy: 0.6856738039264312
Energy: 0.6857209248957111
Energy: 1.6647647981887914
Energy: 0.6857209248950927
Energy: 0.6862125683252024
Energy: 0.6848848467751998
Energy: 2.0948940710540764
Energy: 0.6848848467745813
Energy: 0.9483420998885363
Energy: 0.6854840539994803
Energy: 2.0849862980943983
Energy: 0.6854840540013357
Energy: 0.9484580791261319
Energy: 0.6848998040471234
Energy: 1.663550795605238
Energy: 0.6848998040495973
Energy: 0.9473150017266893
Energy: 0.6865780828055112
Energy: 1.6640485798912916
Energy: 0.6865780828086037
Energy: 1.4338042764899668
Energy: 0.6852438304945511
Energy: 1.6619784434274636
Energy: 0.6852438304945511
Energy: 1.4327537501415597
Energy: 0.6851480475237876
Energy: 1.6655716734704833
Energy: 0.6851480475219323
Energy: 1.434631165007674
Energy: 0.7586043992366086
Energy: 1.668541546502993
Energy: 0.7586043992359901
Energy: 1.8780571110842403
Energy: 0.7559212110745356
Energy: 1.6600387325348802
Energy: 0.7559212110751542
Energy: 1.4387253138853267
Energy: 0.7592711134686584
Energy: 1.4335289770272754
Energy: 0.7592711134606183
Energy: 1.6651986871491131
Energy: 0.6849492338517216
Energy: 1.211492975796855
Energy: 0.6849492338554324
Energy: 1.8786776725610332
Energy: 0.6848746389025928
Energy: 1.4322002908915297
Energy: 0.6848746389025928
Energy: 1.8831417843277185
Energy: 0.6871547304869406
Energy: 0.9471811276559046
Energy: 0.6871547304869406
Energy: 1.6639319791515297
Energy: 0.6853019166852804
Energy: 0.9486095757460878
Energy: 0.6853019166840435
Energy: 1.8726663017707101
Energy: 0.6870428061881686
Energy: 0.9509101621063076
Energy: 0.6870428061881686
Energy: 1.878580136851148
Energy: 0.6856083659480771
Energy: 0.6868536536039099
Energy: 0.6856083659474587
Energy: 1.6641220876142389
Energy: 0.6855124047436562
Energy: 0.6852319195206574
Energy: 0.6855124047436562
Energy: 2.084877887814456
Energy: 0.686284884446848
Energy: 0.6878691634130083
Energy: 0.6862848844443742

minimum gb energy = 0.6842022594066618 eV
minimum distance =  2.58222319041761 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.860401107590129
Energy: 0.623545206663169
Energy: 0.9680878978158324
Energy: 0.622022064643974
Energy: 1.8532843666730239
Energy: 0.6202418507945874
Energy: 0.8428579484134198
Energy: 0.6202418507940636
Energy: 2.21483916440274
Energy: 0.6214416654377813
Energy: 0.8440632410249784
Energy: 0.6214416654372574
Energy: 1.8558939100147875
Energy: 0.6215973810343777
Energy: 1.2716621587567336
Energy: 0.6215973810338538
Energy: 1.849844423556623
Energy: 0.6188664350963259
Energy: 1.2682034147054846
Energy: 0.6188664350968498
Energy: 1.8495960793954374
Energy: 0.6200296572417882
Energy: 1.2642539828502468
Energy: 0.6200296572344531
Energy: 1.4650431906976258
Energy: 0.6211819826126743
Energy: 1.6552223277119282
Energy: 0.621181982615294
Energy: 1.6582280407234076
Energy: 0.6838685377025244
Energy: 1.270254959885672
Energy: 0.6838685377030482
Energy: 1.4641289856430344
Energy: 0.6800512707103169
Energy: 1.6534879668390732
Energy: 0.6800512707150324
Energy: 1.4624851860538572
Energy: 0.6800009734403843
Energy: 1.8513986476403939
Energy: 0.6800009734540066
Energy: 1.270547534272672
Energy: 0.6228362710208791
Energy: 1.6654420417878
Energy: 0.6228362710056851
Energy: 1.0692209514675952
Energy: 0.6184514926815653
Energy: 2.02918416493634
Energy: 0.6184514926820892
Energy: 1.2658799743637945
Energy: 0.6205211783310339
Energy: 2.0302800440788107
Energy: 0.6205211783315578
Energy: 0.8505474379879564
Energy: 0.6213995811439408
Energy: 1.6619100461948466
Energy: 0.6213995811449887
Energy: 0.8454449058175627
Energy: 0.61932480912497
Energy: 1.849312076973901
Energy: 0.619324809124446
Energy: 0.8467627530139393
Energy: 0.621294546657584
Energy: 2.0314699797337186
Energy: 0.621294546649725
Energy: 0.6222371055877194
Energy: 0.6205293100789668
Energy: 2.036662497752024
Energy: 0.6205293100810625
Energy: 0.6192203266351753
Energy: 0.6192901230697763
Energy: 1.8491823866558368
Energy: 0.6192901230682045
Energy: 0.6215198703051596
Energy: 0.6202573515279045
Energy: 1.8509306205707696
Energy: 0.6202573515263327
Energy: 0.8499309788417431
Energy: 0.6217840527657714
Energy: 2.2169570630779276
Energy: 0.6217840527652475
Energy: 0.8467367935904646
Energy: 0.6191965806633317
Energy: 1.8496216612773708
Energy: 0.6191965806633317
Energy: 0.8495791592953224
Energy: 0.6210211198185376
Energy: 1.8548401795664267
Energy: 0.6210211198190615
Energy: 1.264433080236972
Energy: 0.6214231322943649
Energy: 1.846621326313585
Energy: 0.6214231323058914
Energy: 1.2685439376030299
Energy: 0.6187826268249659
Energy: 1.8522384164360897
Energy: 0.6187826268254898
Energy: 1.2701932753198604
Energy: 0.6219649736208767
Energy: 1.46933764373372
Energy: 0.621964973618781
Energy: 1.6567294462265003
Energy: 0.6795962071277862
Energy: 1.851806982203609
Energy: 0.6795962071235948
Energy: 1.2665784173924177
Energy: 0.6802948259114691
Energy: 1.6550537332453237
Energy: 0.680294825910945
Energy: 1.660180842295768
Energy: 0.6848888582514495
Energy: 1.4691560710625002
Energy: 0.6848888582509256
Energy: 1.6575319984948214
Energy: 0.6210670935553433
Energy: 1.656016132598519
Energy: 0.6210670935537714
Energy: 1.6565399500764475
Energy: 0.6200611689678357
Energy: 1.265896688387098
Energy: 0.6200611689678357
Energy: 1.8504812764049927
Energy: 0.6186326903477108
Energy: 1.0689280227244378
Energy: 0.6186326903445674
Energy: 1.6605228064937014
Energy: 0.621181352492909
Energy: 1.2703858394574754
Energy: 0.6211813525039115
Energy: 2.0311813023763188
Energy: 0.6218746313770503
Energy: 0.843462302173271
Energy: 0.6218746313770503
Energy: 2.0285229402629192
Energy: 0.6211819977800139
Energy: 0.8438862206288373
Energy: 0.6211819977800139
Energy: 2.0248379556255705
Energy: 0.6212155877629622
Energy: 0.6248404471676265
Energy: 0.6212155877629622
Energy: 2.0270205864175743
Energy: 0.6200875252889692
Energy: 0.6221697527150412
Energy: 0.6200875252884452
Energy: 2.211816670453059
Energy: 0.620674327787894
Energy: 0.6227247693681192
Energy: 0.6206743277868461

minimum gb energy = 0.6184514926815653 eV
minimum distance =  2.58167621790438 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 2.0004702565642285
Energy: 0.5567918611094717
Energy: 0.5572457911159712
Energy: 0.5535151344369311
Energy: 1.9783182899647809
Energy: 0.5552206636997087
Energy: 0.7532517862494905
Energy: 0.5552206636992544
Energy: 1.9719492371085565
Energy: 0.5573396170151393
Energy: 0.7536195162825169
Energy: 0.5573396170137969
Energy: 1.6347545297092818
Energy: 0.5593878327071434
Energy: 1.1262801923650405
Energy: 0.5593878327075977
Energy: 1.9752913671181267
Energy: 0.5544083095465325
Energy: 1.1282275096727903
Energy: 0.5544083095424428
Energy: 1.6394114911025104
Energy: 0.5559799852174584
Energy: 1.1261682407630134
Energy: 0.5559799852120055
Energy: 1.6369816198720142
Energy: 0.5576223355922798
Energy: 1.4732401154258945
Energy: 0.5576223355913709
Energy: 1.806538623109587
Energy: 0.5547727522100514
Energy: 1.1222387077617857
Energy: 0.5547727462381654
Energy: 1.6392933114645802
Energy: 0.5551505515736386
Energy: 1.4697148319619502
Energy: 0.5551505515704577
Energy: 1.6392267456548413
Energy: 0.6606854859829704
Energy: 1.8053236198612959
Energy: 0.6606854859879688
Energy: 1.4703189174040479
Energy: 0.6603159010906564
Energy: 1.4678499947990609
Energy: 0.6603159010588687
Energy: 1.297687227436236
Energy: 0.554827121083015
Energy: 1.8054359628129797
Energy: 0.5548271210852872
Energy: 1.4700356258291813
Energy: 0.5546757704521272
Energy: 1.8062676032367713
Energy: 0.5546757704525815
Energy: 1.1260316759167914
Energy: 0.5568555075832311
Energy: 1.465513252604946
Energy: 0.5568555075814134
Energy: 0.9523291292930249
Energy: 0.5545640564007224
Energy: 1.9756172525604023
Energy: 0.5545640564007224
Energy: 1.128162831322395
Energy: 0.5562210972204844
Energy: 1.8032539796919964
Energy: 0.5562210972204844
Energy: 0.7534168088445098
Energy: 0.5565726614046766
Energy: 1.8032430389465415
Energy: 0.5565726614033134
Energy: 0.7561575740380423
Energy: 0.5553900443517071
Energy: 1.9743852864674836
Energy: 0.5553900443517071
Energy: 0.7551118325919468
Energy: 0.5559850703695777
Energy: 1.9711584618711422
Energy: 0.5559850703691233
Energy: 0.5603400068275586
Energy: 0.5553743873924246
Energy: 1.9715194170491366
Energy: 0.5553743873915158
Energy: 0.5555391790754454
Energy: 0.5549650485306246
Energy: 1.97640353710665
Energy: 0.5549650485306246
Energy: 0.5563317974412229
Energy: 0.5592104031453913
Energy: 1.9680206021158992
Energy: 0.5592104031376869
Energy: 0.7564598050685458
Energy: 0.558966481301415
Energy: 1.9711535640543962
Energy: 0.5589664813009606
Energy: 0.7551221133423072
Energy: 0.5547278509982678
Energy: 1.9769187439761498
Energy: 0.5547278509987222
Energy: 0.7560978775478124
Energy: 0.557588665152182
Energy: 1.6344980047881654
Energy: 0.557588665152182
Energy: 1.1256449896929546
Energy: 0.555540062083021
Energy: 1.9709620792663738
Energy: 0.5555400620834754
Energy: 1.127100191150319
Energy: 0.5545913748740089
Energy: 1.971759858602777
Energy: 0.5545913748749177
Energy: 1.1259856403517052
Energy: 0.5578241731733029
Energy: 1.6372219815786946
Energy: 0.5578241731755749
Energy: 1.4702489404991193
Energy: 0.5544755463939686
Energy: 1.975707932083689
Energy: 0.5544755463916966
Energy: 1.4713867821167215
Energy: 0.5548383684186252
Energy: 1.640080348447839
Energy: 0.5548383684199885
Energy: 1.645490228631738
Energy: 0.6605299599029197
Energy: 1.2942831957695642
Energy: 0.6605299598956492
Energy: 1.4679665849378063
Energy: 0.6604532262557264
Energy: 1.6455401111445818
Energy: 0.6604532262548175
Energy: 1.80773849713352
Energy: 0.5549952579743819
Energy: 1.2984760396127173
Energy: 0.5549952579739275
Energy: 1.9757687150686256
Energy: 0.5543269303019779
Energy: 1.2997632696480312
Energy: 0.5543269302969793
Energy: 1.465103499289031
Energy: 0.5588272647962916
Energy: 1.125837427132983
Energy: 0.5588272647962916
Energy: 1.9759616377100422
Energy: 0.554509237369561
Energy: 1.1275834168311398
Energy: 0.55450923737047
Energy: 1.9719827633889546
Energy: 0.5559115291109409
Energy: 1.1258932924749243
Energy: 0.5559115291113952
Energy: 1.8034198186078692
Energy: 0.5603859689269084
Energy: 0.7553091069355574
Energy: 0.5603859689269084
Energy: 1.9749760281148292
Energy: 0.554528908864358
Energy: 0.7551482223896303
Energy: 0.554528908864358
Energy: 1.9696540184002356
Energy: 0.5560385255271387
Energy: 0.7571819754450994
Energy: 0.5560385255266842
Energy: 1.8008891266176412
Energy: 0.5560157205899493
Energy: 0.5562810259957419
Energy: 0.5560157205917668
Energy: 1.9752993055790322
Energy: 0.5547509541337253
Energy: 0.5550931543365888
Energy: 0.5547509541341797
Energy: 1.9678947218316751
Energy: 0.5555245535835646
Energy: 0.5560431652816032
Energy: 0.5555245535826557

minimum gb energy = 0.5535151344369311 eV
minimum distance =  2.58395426481924 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.010325072185027595
Energy: 0.49622613596825677
Energy: 1.7481270863959455
Energy: 0.011131113148960954
Energy: 1.354212767784317
Energy: 0.12286433772601749
Energy: 1.3563387574016899
Energy: 0.12286433772531882
Energy: 0.010852626211041739
Energy: 0.12378641531561693
Energy: 1.3555074147890105
Energy: 0.12378641531596625
Energy: 0.011954609673980024
Energy: 0.12513704114830654
Energy: 1.3528035540850343
Energy: 0.1251370411479572
Energy: 1.3569122113689676
Energy: 0.124240486489508
Energy: 1.3577324287148962
Energy: 0.12424048648985732
Energy: 0.010904140986495493
Energy: 0.12377977292568895
Energy: 1.3540250818802242
Energy: 0.1237797729267175

minimum gb energy = 0.010325072185027595 eV
minimum distance =  2.84084743367336 Angstroms
sigma value = 1