Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_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=2.863645806908607
cohesive_energy=4.290547094411586
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: 0.013215405260314433
Energy: 0.01377867730410659
Energy: 0.013500615814886914
Energy: 0.01377867730410659
Energy: 0.013215405260314433
Energy: 0.01377867730410659
Energy: 0.01377867730410659
Energy: 2.552978399830291
Energy: 0.01377867730410659
Energy: 2.5529783998307907
Energy: 0.01377867730410659
Energy: 2.552978399830291
Energy: 0.013500615815386677
Energy: 0.01377867730410659
Energy: 0.013215405260314433
Energy: 0.01377867730410659
Energy: 0.013500615814886914
Energy: 0.01377867730410659
Energy: 0.01377867730410659
Energy: 2.552978399830291
Energy: 0.01377867730410659
Energy: 2.552978399829819
Energy: 0.01377867730410659
Energy: 2.552978399830291
Energy: 0.013215405260314433
Energy: 0.01377867730410659
Energy: 0.013500615814886914
Energy: 0.01377867730410659
Energy: 0.013215405260314433
Energy: 0.01377867730410659
Energy: 0.01377867730410659
Energy: 2.552978399830291
Energy: 0.01377867730410659
Energy: 2.552978399830291
Energy: 0.01377867730410659
Energy: 2.552978399830291

minimum gb energy = 0.013215405260314433 eV
minimum distance =  2.3914331098551 Angstroms
sigma value = 1


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

Energy: 1.45976751276868
Energy: 1.301561866708812
Energy: 1.220438746797823
Energy: 1.301561866708812
Energy: 1.45976751276868
Energy: 1.301561866708812
Energy: 1.274884200116994
Energy: 1.2702986643078373
Energy: 1.2442883787486407
Energy: 1.2702986643090401
Energy: 1.274884200116994
Energy: 1.2702986643090401
Energy: 1.2389683023443883
Energy: 1.2701696768380293
Energy: 1.2756772138364776
Energy: 1.2701696768380293
Energy: 1.2389683023443883
Energy: 1.2701696768380293
Energy: 1.292544783443909
Energy: 1.2601483531915079
Energy: 1.2096839078008415
Energy: 1.2601483531915079
Energy: 1.2925447834391517
Energy: 1.2601483531915079
Energy: 1.291450984389746
Energy: 1.2744880736593873
Energy: 1.3551758404567849
Energy: 1.2744880736593873
Energy: 1.2914509843921522
Energy: 1.2744880736593873
Energy: 1.2746318314777227
Energy: 1.2701416818503037
Energy: 1.2456911480292217
Energy: 1.2701416818491007
Energy: 1.2746318314777227
Energy: 1.2701416818491007
Energy: 1.2747359058570908
Energy: 1.2701686723171042
Energy: 1.2456090574953396
Energy: 1.2701686723171042
Energy: 1.2747359058558878
Energy: 1.2701686723171042
Energy: 1.318206813915788
Energy: 1.2747161807516723
Energy: 1.1997810549581505
Energy: 1.2747161807504692
Energy: 1.3182068139145855
Energy: 1.2747161807504692
Energy: 1.2928662903185684
Energy: 1.2338217788036985
Energy: 1.2086698978509256
Energy: 1.2338217788024957
Energy: 1.2928662903197714
Energy: 1.2338217788024957
Energy: 1.2767841411873226
Energy: 1.270600452136014
Energy: 1.245811634573777
Energy: 1.270600452136014
Energy: 1.2767841411861198
Energy: 1.270600452136014
Energy: 1.2583551644443491
Energy: 1.281786128426147
Energy: 1.2717312373324434
Energy: 1.281786128426147
Energy: 1.2583551644443491
Energy: 1.281786128426147
Energy: 1.232009097484413
Energy: 1.2740498755655676
Energy: 1.2321744424171455
Energy: 1.2740498755655676
Energy: 1.2320090974832099
Energy: 1.2740498755655676
Energy: 1.3429747021692684
Energy: 1.312318793770267
Energy: 1.2032001577453175
Energy: 1.312318793770267
Energy: 1.3429747021692684
Energy: 1.312318793770267
Energy: 1.246618972643486
Energy: 1.2700064586763882
Energy: 1.27673145443158
Energy: 1.2700064586751851
Energy: 1.246618972643486
Energy: 1.2700064586751851
Energy: 1.281086437441185
Energy: 1.244665168139135
Energy: 1.2910987636901712
Energy: 1.244665168137932
Energy: 1.281086437441185
Energy: 1.244665168137932
Energy: 1.2307108706596204
Energy: 1.300042064923884
Energy: 1.3209585640461277
Energy: 1.3000420649226812
Energy: 1.2307108706596204
Energy: 1.300042064923884
Energy: 1.245598729970373
Energy: 1.2703156189954399
Energy: 1.2749806345134524
Energy: 1.2703156189942368
Energy: 1.245598729970373
Energy: 1.2703156189942368
Energy: 1.2471218982448589
Energy: 1.2700447930212408
Energy: 1.2744487849456252
Energy: 1.270044793020038
Energy: 1.2471218982460617
Energy: 1.270044793020038
Energy: 1.2802300487357579
Energy: 1.2744347218481038
Energy: 1.2916962512889796
Energy: 1.2744347218481038
Energy: 1.2802300487357579
Energy: 1.2744347218481038
Energy: 1.2117165261071703
Energy: 1.2597621664483105
Energy: 1.2921823523041316
Energy: 1.2597621664483105
Energy: 1.2117165261071703
Energy: 1.2597621664483105
Energy: 1.275940880847914
Energy: 1.2704134387655888
Energy: 1.2389804068002195
Energy: 1.270413438766792
Energy: 1.275940880847914
Energy: 1.270413438766792
Energy: 1.2788495103656887
Energy: 1.2700327700573977
Energy: 1.270456680879411
Energy: 1.2700327700585459
Energy: 1.2788495103656887
Energy: 1.2700327700585459
Energy: 1.265715365805489
Energy: 1.2739014049793325
Energy: 1.2974755189392129
Energy: 1.2739014049781296
Energy: 1.265715365806692
Energy: 1.2739014049781296

minimum gb energy = 1.1997810549581505 eV
minimum distance =  2.28751105082604 Angstroms
sigma value = 33


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

Energy: 1.77414271147299
Energy: 1.344046172018074
Energy: 1.2813944956000658
Energy: 1.344046172018758
Energy: 1.77414271147299
Energy: 1.344046172018074
Energy: 1.2784268533011227
Energy: 1.3127174166012514
Energy: 1.293153261587109
Energy: 1.3127174166012514
Energy: 1.2784268533011227
Energy: 1.3127174166012514
Energy: 1.2531243103484901
Energy: 1.341803222239272
Energy: 1.4153216346992639
Energy: 1.341803222239272
Energy: 1.2531243103484901
Energy: 1.341803222239272
Energy: 1.294026647506907
Energy: 1.300658224828299
Energy: 1.4463942151556985
Energy: 1.300658224828299
Energy: 1.294026647506907
Energy: 1.300658224828299
Energy: 1.2941044462030578
Energy: 1.3206722175792736
Energy: 1.3940656236607016
Energy: 1.3206722175792736
Energy: 1.2941044462030578
Energy: 1.3206722175792736
Energy: 1.2868041053456396
Energy: 1.3215556465727376
Energy: 1.2690875041021648
Energy: 1.3215556465727376
Energy: 1.2868041053449553
Energy: 1.3215556465727376
Energy: 1.2864504626170976
Energy: 1.3216516252714727
Energy: 1.3143561867307254
Energy: 1.3216516252721568
Energy: 1.286450462615729
Energy: 1.3216516252714727
Energy: 1.269292737068451
Energy: 1.3209682450837597
Energy: 1.3504479397498
Energy: 1.3209682450837597
Energy: 1.2692927370691354
Energy: 1.3209682450830753
Energy: 1.2937336853300319
Energy: 1.3008503482230394
Energy: 1.286147680320888
Energy: 1.3008503482237235
Energy: 1.2937336853300319
Energy: 1.3008503482237235
Energy: 1.2859673714928828
Energy: 1.3418365152336151
Energy: 1.292914016137778
Energy: 1.341836515232931
Energy: 1.2859673714921984
Energy: 1.3418365152336151
Energy: 1.2774148627781703
Energy: 1.3153102432656634
Energy: 1.2932629868932
Energy: 1.3153102432656634
Energy: 1.2774148627788544
Energy: 1.3153102432649795
Energy: 1.4152755308993676
Energy: 1.3213292134261496
Energy: 1.2981059936170662
Energy: 1.321329213426834
Energy: 1.4152755308993676
Energy: 1.321329213426834
Energy: 1.4610691016242814
Energy: 1.3104839784652238
Energy: 1.3059883939148094
Energy: 1.3104839784652238
Energy: 1.4610691016242814
Energy: 1.3104839784652238
Energy: 1.3473514393569477
Energy: 1.3413228948923321
Energy: 1.2914603644035147
Energy: 1.3413228948923321
Energy: 1.3473514393562633
Energy: 1.3413228948923321
Energy: 1.4160448399006318
Energy: 1.3208118780128295
Energy: 1.39052734665014
Energy: 1.3208118780128295
Energy: 1.4160448399013161
Energy: 1.3208118780128295
Energy: 1.415818489189798
Energy: 1.3206195495950122
Energy: 1.298371097826632
Energy: 1.3206195495950122
Energy: 1.4158184891904824
Energy: 1.3206195495950122
Energy: 1.4308792064494071
Energy: 1.3215802322284596
Energy: 1.292953529878648
Energy: 1.321580232229144
Energy: 1.4308792064494071
Energy: 1.321580232229144
Energy: 1.4659455790501685
Energy: 1.3120457402671135
Energy: 1.390475804635932
Energy: 1.3120457402677979
Energy: 1.4659455790501685
Energy: 1.3120457402677979
Energy: 1.268764734485396
Energy: 1.3208980850593797
Energy: 1.3505225916380288
Energy: 1.320898085060064
Energy: 1.268764734485396
Energy: 1.320898085060064
Energy: 1.293100325150459
Energy: 1.3007333634696339
Energy: 1.2874157895501808
Energy: 1.3007333634703184
Energy: 1.2931003251497746
Energy: 1.3007333634703184
Energy: 1.4139785130165607
Energy: 1.3418430001372819
Energy: 1.2842397308112317
Energy: 1.3418430001372819
Energy: 1.4139785130165607
Energy: 1.3418430001372819
Energy: 1.2781230641518078
Energy: 1.3160023002937675
Energy: 1.294036990587905
Energy: 1.3160023002937675
Energy: 1.2781230641524919
Energy: 1.3160023002937675
Energy: 1.292539334165612
Energy: 1.3214740821399023
Energy: 1.3939351020655852
Energy: 1.3214740821405864
Energy: 1.292539334165612
Energy: 1.3214740821405864
Energy: 1.4543597612836892
Energy: 1.3122193149110042
Energy: 1.2944428418613845
Energy: 1.3122193149110042
Energy: 1.4543597612836892
Energy: 1.3122193149110042
Energy: 1.3147588285998395
Energy: 1.3230950844035752
Energy: 1.415255014266569
Energy: 1.3230950844035752
Energy: 1.3147588286005236
Energy: 1.3230950844035752
Energy: 1.2924464952086432
Energy: 1.3417401982677692
Energy: 1.3141698284917716
Energy: 1.3417401982684534
Energy: 1.2924464952086432
Energy: 1.3417401982677692
Energy: 1.2924217696936897
Energy: 1.3417413314138948
Energy: 1.2984284211945598
Energy: 1.3417413314138948
Energy: 1.2924217696936897
Energy: 1.3417413314138948
Energy: 1.3147773752543686
Energy: 1.3213585441377038
Energy: 1.4152904962833464
Energy: 1.3213585441377038
Energy: 1.3147773752536842
Energy: 1.3213585441383882
Energy: 1.4543237840881826
Energy: 1.3122178658158992
Energy: 1.2947614656997268
Energy: 1.3122178658158992
Energy: 1.4543237840874987
Energy: 1.3122178658158992
Energy: 1.2925447463150388
Energy: 1.3214713988573255
Energy: 1.355227460756669
Energy: 1.3214713988566413
Energy: 1.2925447463143545
Energy: 1.3214713988566413
Energy: 1.2778359755963988
Energy: 1.316002300294452
Energy: 1.293654439884758
Energy: 1.316002300294452
Energy: 1.2778359755957147
Energy: 1.316002300294452
Energy: 1.4139926502936302
Energy: 1.3418532949878215
Energy: 1.2842289775390785
Energy: 1.3418532949885056
Energy: 1.4139926502936302
Energy: 1.3418532949885056
Energy: 1.2931105911941636
Energy: 1.3005431404887553
Energy: 1.2864878313234618
Energy: 1.3005431404887553
Energy: 1.2931105911941636
Energy: 1.3005431404887553
Energy: 1.2687647087953293
Energy: 1.320891017090081
Energy: 1.285402894589716
Energy: 1.320891017090081
Energy: 1.2687647087953293
Energy: 1.320891017090081
Energy: 1.4659060992854298
Energy: 1.3120410883290643
Energy: 1.3148895889138048
Energy: 1.3120410883290643
Energy: 1.4659060992854298
Energy: 1.3120410883290643
Energy: 1.4307113588000262
Energy: 1.3215847230458277
Energy: 1.292796062906624
Energy: 1.3215847230451436
Energy: 1.4307113588007105
Energy: 1.3215847230451436
Energy: 1.4157424991323664
Energy: 1.320562968815497
Energy: 1.2806904222019608
Energy: 1.320562968815497
Energy: 1.4157424991323664
Energy: 1.320562968815497
Energy: 1.4159469121253119
Energy: 1.3208370907179439
Energy: 1.3905302848769938
Energy: 1.3208370907179439
Energy: 1.4159469121253119
Energy: 1.3208370907179439
Energy: 1.3473531207751954
Energy: 1.3412912937362877
Energy: 1.291345152355841
Energy: 1.341291293736941
Energy: 1.3473531207751954
Energy: 1.341291293736941
Energy: 1.4608641343143771
Energy: 1.3104765894987016
Energy: 1.3054769314048256
Energy: 1.310476589498017
Energy: 1.4608641343143771
Energy: 1.310476589498017
Energy: 1.415266661735559
Energy: 1.3213101018540598
Energy: 1.2806102467158473
Energy: 1.3213101018540598
Energy: 1.415266661735559
Energy: 1.3213101018540598

minimum gb energy = 1.2531243103484901 eV
minimum distance =  2.25785604016508 Angstroms
sigma value = 51


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

Energy: 1.7278181473119152
Energy: 1.4250187357786392
Energy: 1.2854757261181955
Energy: 1.4250187357786392
Energy: 1.7278181473119152
Energy: 1.4250187357786392
Energy: 1.3567142872698483
Energy: 1.359956434530894
Energy: 1.5106069812132232
Energy: 1.359956434530894
Energy: 1.3567142872698483
Energy: 1.3599564345293087
Energy: 1.3233511823741866
Energy: 1.3610074246823765
Energy: 1.4497566980895682
Energy: 1.3610074246823765
Energy: 1.323351182375772
Energy: 1.3610074246823765
Energy: 1.3352284850286713
Energy: 1.3602449591565668
Energy: 1.510732598444453
Energy: 1.3602449591565668
Energy: 1.3352284850286713
Energy: 1.3602449591565668
Energy: 1.3361285374692635
Energy: 1.3611517267643591
Energy: 1.4497302760823472
Energy: 1.3611517267643591
Energy: 1.3361285374692635
Energy: 1.3611517267643591
Energy: 1.5184500117659623
Energy: 1.3133279147611634
Energy: 1.501811637049802
Energy: 1.3133279147611634
Energy: 1.5184500117659623
Energy: 1.3133279147611634
Energy: 1.5186496774920335
Energy: 1.316484346247623
Energy: 1.3906005809888078
Energy: 1.316484346247623
Energy: 1.5186496774920335
Energy: 1.316484346247623
Energy: 1.3356495906674588
Energy: 1.3599863385812034
Energy: 1.314570279685203
Energy: 1.3599863385812034
Energy: 1.3356495906674588
Energy: 1.3599863385812034
Energy: 1.518501410487896
Energy: 1.4060655744635744
Energy: 1.2801171113160459
Energy: 1.4060655744635744
Energy: 1.518501410487896
Energy: 1.4060655744635744
Energy: 1.3243264569963609
Energy: 1.3618623137072634
Energy: 1.3142710197437626
Energy: 1.3618623137072634
Energy: 1.3243264569963609
Energy: 1.3618623137072634
Energy: 1.532299826655693
Energy: 1.3441079768603814
Energy: 1.5167088078577493
Energy: 1.3441079768603814
Energy: 1.532299826655693
Energy: 1.3441079768603814
Energy: 1.4825630084312185
Energy: 1.4253428123438288
Energy: 1.5016128708565784
Energy: 1.4253428123454142
Energy: 1.4825630084312185
Energy: 1.4253428123438288
Energy: 1.4563688183006107
Energy: 1.3602087886191814
Energy: 1.5105330346725383
Energy: 1.3602087886175958
Energy: 1.4563688183006107
Energy: 1.3602087886191814
Energy: 1.324135647077193
Energy: 1.3615505018939213
Energy: 1.5115328879086738
Energy: 1.3615505018939213
Energy: 1.324135647077193
Energy: 1.3615505018939213
Energy: 1.323176312412268
Energy: 1.3661192178443193
Energy: 1.5106433528888359
Energy: 1.3661192178443193
Energy: 1.323176312412268
Energy: 1.3661192178443193
Energy: 1.3346078907254866
Energy: 1.3623776708002013
Energy: 1.511733494649044
Energy: 1.3623776708002013
Energy: 1.334607890727072
Energy: 1.3623776708002013
Energy: 1.5182567003360246
Energy: 1.3664187190157115
Energy: 1.5013553264209019
Energy: 1.366418719017297
Energy: 1.5182567003360246
Energy: 1.366418719017297
Energy: 1.5186088643414855
Energy: 1.3192292738650866
Energy: 1.492538667175155
Energy: 1.3192292738650866
Energy: 1.5186088643414855
Energy: 1.3192292738650866

minimum gb energy = 1.2801171113160459 eV
minimum distance =  2.25061951771453 Angstroms
sigma value = 19


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

Energy: 1.6514570315153743
Energy: 1.4219069532878066
Energy: 1.3154033534135892
Energy: 1.4219069532868662
Energy: 1.6514570315153743
Energy: 1.4219069532868662
Energy: 1.3136499871065572
Energy: 1.4051033619648423
Energy: 1.337885870342845
Energy: 1.4051033619639017
Energy: 1.3136499871065572
Energy: 1.4051033619639017
Energy: 1.2807718209530736
Energy: 1.4157390590423393
Energy: 1.4398800464019577
Energy: 1.4157390590423393
Energy: 1.2807718209540138
Energy: 1.4157390590423393
Energy: 1.3767025937621735
Energy: 1.38995030153121
Energy: 1.3376938128283244
Energy: 1.38995030153121
Energy: 1.3767025937621735
Energy: 1.38995030153121
Energy: 1.3143216220796303
Energy: 1.422105158431335
Energy: 1.3904629899574823
Energy: 1.422105158431335
Energy: 1.3143216220796303
Energy: 1.422105158431335
Energy: 1.3521187033773843
Energy: 1.4220966003635427
Energy: 1.3143067319282224
Energy: 1.4220966003635427
Energy: 1.3521187033802056
Energy: 1.4220966003635427
Energy: 1.337758461983992
Energy: 1.3899510790584875
Energy: 1.3766735982500427
Energy: 1.3899510790584875
Energy: 1.337758461983992
Energy: 1.3899510790584875
Energy: 1.4398666585688427
Energy: 1.415743637298624
Energy: 1.2807677547352407
Energy: 1.415743637298624
Energy: 1.4398666585688427
Energy: 1.415743637298624
Energy: 1.3379238437794303
Energy: 1.405056483223982
Energy: 1.2808543131080352
Energy: 1.405056483223982
Energy: 1.3379238437784902
Energy: 1.405056483223982
Energy: 1.3154033534135892
Energy: 1.4219069532868662
Energy: 1.6514570315163146
Energy: 1.4219069532878066
Energy: 1.3154033534135892
Energy: 1.4219069532878066
Energy: 1.337885870342845
Energy: 1.4051033619648423
Energy: 1.280798246771456
Energy: 1.4051033619648423
Energy: 1.337885870342845
Energy: 1.4051033619648423
Energy: 1.4398800464019577
Energy: 1.4157390590423393
Energy: 1.2807718209540138
Energy: 1.4157390590423393
Energy: 1.4398800464019577
Energy: 1.4157390590423393
Energy: 1.3376938128283244
Energy: 1.38995030153121
Energy: 1.3767025937612332
Energy: 1.38995030153121
Energy: 1.3376938128283244
Energy: 1.38995030153121
Energy: 1.3904629899584227
Energy: 1.422105158431335
Energy: 1.3143216220796303
Energy: 1.4221051584322753
Energy: 1.3904629899574823
Energy: 1.4221051584322753
Energy: 1.3143067319291628
Energy: 1.4220966003635427
Energy: 1.3521187033792652
Energy: 1.4220966003626025
Energy: 1.3143067319291628
Energy: 1.4220966003626025
Energy: 1.3469284495015363
Energy: 1.3899510790584875
Energy: 1.337758461983992
Energy: 1.3899510790584875
Energy: 1.3469284495015363
Energy: 1.3899510790584875
Energy: 1.2807677547343004
Energy: 1.415743637298624
Energy: 1.4398666585688427
Energy: 1.415743637298624
Energy: 1.2807677547352407
Energy: 1.415743637298624
Energy: 1.2808543131070949
Energy: 1.405056483223982
Energy: 1.3379238437794303
Energy: 1.405056483223982
Energy: 1.2808543131070949
Energy: 1.405056483223982
Energy: 1.6514570315153743
Energy: 1.4219069532868662
Energy: 1.3154033534126488
Energy: 1.4219069532878066
Energy: 1.6514570315153743
Energy: 1.4219069532878066
Energy: 1.280798246771456
Energy: 1.4051033619639017
Energy: 1.337885870342845
Energy: 1.4051033619639017
Energy: 1.280798246771456
Energy: 1.4051033619639017
Energy: 1.2807718209530736
Energy: 1.4157390590423393
Energy: 1.4398800464019577
Energy: 1.4157390590423393
Energy: 1.2807718209530736
Energy: 1.4157390590423393
Energy: 1.3767025937621735
Energy: 1.38995030153121
Energy: 1.3376938128283244
Energy: 1.38995030153121
Energy: 1.3767025937621735
Energy: 1.38995030153121
Energy: 1.3143216220796303
Energy: 1.4221051584322753
Energy: 1.3904629899574823
Energy: 1.4221051584322753
Energy: 1.3143216220796303
Energy: 1.4221051584322753
Energy: 1.352118703374563
Energy: 1.4220966003635427
Energy: 1.3143067319291628
Energy: 1.4220966003635427
Energy: 1.3521187033802056
Energy: 1.4220966003635427
Energy: 1.337758461983992
Energy: 1.3899510790584875
Energy: 1.3138394731129526
Energy: 1.3899510790584875
Energy: 1.337758461983992
Energy: 1.3899510790584875
Energy: 1.4398666585688427
Energy: 1.415743637298624
Energy: 1.2807677547352407
Energy: 1.415743637298624
Energy: 1.4398666585688427
Energy: 1.415743637298624
Energy: 1.3379238437784902
Energy: 1.405056483223982
Energy: 1.2808543131080352
Energy: 1.405056483223982
Energy: 1.3379238437794303
Energy: 1.405056483223982
Energy: 1.3802992039520914
Energy: 1.4219069532878066
Energy: 1.6514570315163146
Energy: 1.4219069532878066
Energy: 1.3802992039520914
Energy: 1.4219069532878066
Energy: 1.337885870342845
Energy: 1.4051033619648423
Energy: 1.280798246771456
Energy: 1.4051033619639017
Energy: 1.337885870342845
Energy: 1.4051033619648423
Energy: 1.4398800464019577
Energy: 1.4157390590423393
Energy: 1.2807718209540138
Energy: 1.4157390590423393
Energy: 1.4398800464019577
Energy: 1.4157390590423393

minimum gb energy = 1.2807677547343004 eV
minimum distance =  2.24526676351731 Angstroms
sigma value = 27


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

Energy: 1.1880152123168481
Energy: 1.3344344817686926
Energy: 1.247387322668641
Energy: 1.334434481768928
Energy: 1.1880152123170835
Energy: 1.334434481768928
Energy: 1.179583321280469
Energy: 1.307782122348627
Energy: 1.2093868770328657
Energy: 1.3077821223488624
Energy: 1.179583321280469
Energy: 1.3077821223488624
Energy: 1.2103290209804862
Energy: 1.4953544682628224
Energy: 1.2113706708961343
Energy: 1.4953544682632676
Energy: 1.2103290209804862
Energy: 1.4953544682632676
Energy: 1.1848367505440731
Energy: 1.3362829918523067
Energy: 1.21320696121043
Energy: 1.3362829918527515
Energy: 1.1848367505440731
Energy: 1.3362829918527515
Energy: 1.2367195492127419
Energy: 1.3350362022384297
Energy: 1.2072164464069883
Energy: 1.3350362022381945
Energy: 1.2367195492129774
Energy: 1.3350362022381945
Energy: 1.2095457623214663
Energy: 1.4968578888501813
Energy: 1.20983285487073
Energy: 1.4968578888499455
Energy: 1.2095457623214663
Energy: 1.4968578888499455
Energy: 1.2102728909275176
Energy: 1.3095889295063623
Energy: 1.2097212455452762
Energy: 1.3095889295068335
Energy: 1.210272890927282
Energy: 1.3095889295065977
Energy: 1.184946964285559
Energy: 1.3354256837326497
Energy: 1.2100400506584597
Energy: 1.3354256837326497
Energy: 1.1849469642853236
Energy: 1.3354256837328853
Energy: 1.2096846584566152
Energy: 1.3355455815662949
Energy: 1.3881156745607015
Energy: 1.3355455815658497
Energy: 1.2096846584570864
Energy: 1.3355455815660853
Energy: 1.2096092216134133
Energy: 1.495302197958069
Energy: 1.2096117549260739
Energy: 1.4953021979585404
Energy: 1.2096092216134133
Energy: 1.4953021979583045
Energy: 1.1796286036523627
Energy: 1.3355109216829113
Energy: 1.2096624047326072
Energy: 1.335510921682676
Energy: 1.179628603652127
Energy: 1.3355109216829113
Energy: 1.2100603199129154
Energy: 1.3354262891297253
Energy: 1.1849379183262982
Energy: 1.3354262891297253
Energy: 1.2100603199131512
Energy: 1.3354262891294897

minimum gb energy = 1.179583321280469 eV
minimum distance =  2.26535749029001 Angstroms
sigma value = 9


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

Energy: 1.6604962930066514
Energy: 1.507247055526258
Energy: 1.3212039794150312
Energy: 1.507247055526258
Energy: 1.6604962930066514
Energy: 1.507247055525611
Energy: 1.3616097691213702
Energy: 1.4904311004264106
Energy: 1.3233581013048026
Energy: 1.4904311004264106
Energy: 1.361609769120723
Energy: 1.4904311004270576
Energy: 1.3235854489387138
Energy: 1.4896968089026374
Energy: 1.3235830440874838
Energy: 1.4896968089019902
Energy: 1.3235854489387138
Energy: 1.4896968089019902
Energy: 1.2838351190073947
Energy: 1.462222519660065
Energy: 1.2474108908557242
Energy: 1.462222519660065
Energy: 1.283835119008042
Energy: 1.462222519660065
Energy: 1.2818982215285806
Energy: 1.4611473725099098
Energy: 1.2678528493736025
Energy: 1.4611473725099098
Energy: 1.2818982215285806
Energy: 1.461147372510557
Energy: 1.2595754131533203
Energy: 1.4455954249949474
Energy: 1.323119763744282
Energy: 1.4455954249949474
Energy: 1.2595754131533203
Energy: 1.4455954249949474
Energy: 1.4143204607568414
Energy: 1.4753123370205585
Energy: 1.32163647777345
Energy: 1.4753123370212058
Energy: 1.4143204607568414
Energy: 1.4753123370212058
Energy: 1.472225883583927
Energy: 1.4623297386313188
Energy: 1.34085128001459
Energy: 1.4623297386306717
Energy: 1.472225883583927
Energy: 1.4623297386306717
Energy: 1.3222589450530196
Energy: 1.4178337116463497
Energy: 1.343321317559056
Energy: 1.4178337116457025
Energy: 1.322258945051078
Energy: 1.4178337116463497
Energy: 1.4673272401353608
Energy: 1.4904827422921438
Energy: 1.2813103368949856
Energy: 1.4904827422921438
Energy: 1.4673272401353608
Energy: 1.4904827422921438
Energy: 1.3559504614530464
Energy: 1.455587522968689
Energy: 1.3233643158314814
Energy: 1.4555875229693362
Energy: 1.3559504614536935
Energy: 1.4555875229693362
Energy: 1.3378050098745018
Energy: 1.4623474096457094
Energy: 1.3318973609519609
Energy: 1.4623474096457094
Energy: 1.3378050098745018
Energy: 1.4623474096457094
Energy: 1.2578446923008153
Energy: 1.4091742991801173
Energy: 1.2516479688895952
Energy: 1.40917429917947
Energy: 1.257844692300168
Energy: 1.40917429917947
Energy: 1.4146108065741307
Energy: 1.4911559177774416
Energy: 1.2509432515719578
Energy: 1.4911559177774416
Energy: 1.4146108065741307
Energy: 1.4911559177780889
Energy: 1.3397466035784864
Energy: 1.464464931066104
Energy: 1.3247057350322218
Energy: 1.464464931066104
Energy: 1.3397466035784864
Energy: 1.4644649310654567
Energy: 1.3479449200114462
Energy: 1.44772775478497
Energy: 1.331409398818915
Energy: 1.447727754785617
Energy: 1.3479449200114462
Energy: 1.447727754785617
Energy: 1.3311242000181471
Energy: 1.4931929107562856
Energy: 1.28165358003625
Energy: 1.4931929107562856
Energy: 1.3311242000174999
Energy: 1.4931929107569328
Energy: 1.248888138904861
Energy: 1.407411910644411
Energy: 1.3365171479914055
Energy: 1.4074119106437637
Energy: 1.2488881389055082
Energy: 1.4074119106437637
Energy: 1.3233901324295185
Energy: 1.4947316260718557
Energy: 1.257603047610105
Energy: 1.494731626071209
Energy: 1.3233901324288713
Energy: 1.494731626071209
Energy: 1.2578194416763475
Energy: 1.5396581818271542
Energy: 1.2578038950662325
Energy: 1.5396581818271542
Energy: 1.2578194416757003
Energy: 1.5396581818278012
Energy: 1.2578256147246782
Energy: 1.4947686516006564
Energy: 1.323803695337381
Energy: 1.4947686516000094
Energy: 1.2578256147246782
Energy: 1.4947686516000094
Energy: 1.3367030429449849
Energy: 1.4074457569951322
Energy: 1.2487383922778326
Energy: 1.4074457569957792
Energy: 1.3367030429449849
Energy: 1.4074457569951322
Energy: 1.2817773103667334
Energy: 1.493023494724794
Energy: 1.3309169978475504
Energy: 1.493023494725441
Energy: 1.2817773103667334
Energy: 1.493023494724794
Energy: 1.3314066613874498
Energy: 1.4476267467788746
Energy: 1.3480392933215155
Energy: 1.4476267467782276
Energy: 1.3314066613874498
Energy: 1.4476267467782276
Energy: 1.32439748043225
Energy: 1.4644862800914171
Energy: 1.3399048904565
Energy: 1.4644862800914171
Energy: 1.32439748043225
Energy: 1.4644862800914171
Energy: 1.2510360633288684
Energy: 1.4911399317387288
Energy: 1.4145869415305783
Energy: 1.4911399317387288
Energy: 1.2510360633288684
Energy: 1.4911399317387288
Energy: 1.2515484718440242
Energy: 1.4092036507376138
Energy: 1.2578444218456928
Energy: 1.4092036507376138
Energy: 1.251548471843377
Energy: 1.4092036507376138
Energy: 1.3316804117029741
Energy: 1.4623141318005182
Energy: 1.3377668421732227
Energy: 1.462314131799871
Energy: 1.3316804117029741
Energy: 1.4623141317992234
Energy: 1.3234275519923293
Energy: 1.4558530144646116
Energy: 1.3198391186117866
Energy: 1.4558530144646116
Energy: 1.3234275519923293
Energy: 1.4558530144646116
Energy: 1.2812801950583945
Energy: 1.4906700873405236
Energy: 1.4675721450251458
Energy: 1.490670087341171
Energy: 1.2812801950583945
Energy: 1.490670087341171
Energy: 1.3378725889099243
Energy: 1.4178337116476443
Energy: 1.3218744448946873
Energy: 1.4178337116476443
Energy: 1.3378725889099243
Energy: 1.417833711646997
Energy: 1.340913556737845
Energy: 1.462324689982907
Energy: 1.4722232836890223
Energy: 1.46232468998226
Energy: 1.3409135567371977
Energy: 1.46232468998226
Energy: 1.3193270528340697
Energy: 1.4753139656832286
Energy: 1.5761064642844853
Energy: 1.4753139656825813
Energy: 1.319327052834717
Energy: 1.4753139656825813
Energy: 1.3232742946505487
Energy: 1.407595100803841
Energy: 1.2595768440477404
Energy: 1.407595100803841
Energy: 1.3232742946505487
Energy: 1.407595100803841
Energy: 1.2861267068362046
Energy: 1.4611120914186082
Energy: 1.2818987549354126
Energy: 1.4611120914192552
Energy: 1.2861267068368518
Energy: 1.4611120914186082
Energy: 1.2473522629701266
Energy: 1.4622695480086352
Energy: 1.283821756767373
Energy: 1.4622695480086352
Energy: 1.2473522629701266
Energy: 1.4622695480086352
Energy: 1.323706223959929
Energy: 1.4896613541629635
Energy: 1.3235812312112105
Energy: 1.4896613541623165
Energy: 1.3237062239605764
Energy: 1.4896613541623165
Energy: 1.3234079630815925
Energy: 1.4513549240697643
Energy: 1.3616406284485654
Energy: 1.4513549240697643
Energy: 1.3234079630822395
Energy: 1.451354924069117
Energy: 1.344842683095694
Energy: 1.507247055526258
Energy: 1.6604962930066514
Energy: 1.507247055526258
Energy: 1.3448426830950468
Energy: 1.507247055526258
Energy: 1.3233581013041555
Energy: 1.490431100425763
Energy: 1.3616097691213702
Energy: 1.490431100425763
Energy: 1.3233581013048026
Energy: 1.490431100425763
Energy: 1.3235830440874838
Energy: 1.4896968089032847
Energy: 1.3235854489380665
Energy: 1.4896968089032847
Energy: 1.3235830440874838
Energy: 1.4896968089032847
Energy: 1.2474108908563715
Energy: 1.462222519660065
Energy: 1.283835119008042
Energy: 1.462222519660065
Energy: 1.2474108908563715
Energy: 1.462222519660065
Energy: 1.247773386453292
Energy: 1.461147372510557
Energy: 1.2818982215285806
Energy: 1.4611473725099098
Energy: 1.2477733864526448
Energy: 1.4611473725099098

minimum gb energy = 1.2473522629701266 eV
minimum distance =  2.24748985511135 Angstroms
sigma value = 57


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

Energy: 1.3837658169327332
Energy: 1.4167417792753554
Energy: 1.1606844301203727
Energy: 1.4167417792753554
Energy: 1.3837658169327332
Energy: 1.4167417792753554
Energy: 1.1298339180678219
Energy: 1.4178087217761917
Energy: 1.2314375050852358
Energy: 1.4178087217761917
Energy: 1.1298339180678219
Energy: 1.4178087217761917
Energy: 1.1231308988986566
Energy: 1.3764011883832594
Energy: 1.1616050577231285
Energy: 1.3764011883832594
Energy: 1.1231308988986566
Energy: 1.3764011883832594
Energy: 1.1591096628519701
Energy: 1.3945079095740165
Energy: 1.1629555729008807
Energy: 1.3945079095740165
Energy: 1.1591096628519701
Energy: 1.3945079095740165
Energy: 1.159548297996638
Energy: 1.417300660287833
Energy: 1.2332920996575425
Energy: 1.417300660287833
Energy: 1.159548297996638
Energy: 1.417300660287833
Energy: 1.1592175382646108
Energy: 1.3763321205572718
Energy: 1.1212719207622124
Energy: 1.3763321205572718
Energy: 1.159217538266084
Energy: 1.3763321205572718
Energy: 1.1592285879121045
Energy: 1.3763579848779333
Energy: 1.1213944959032447
Energy: 1.3763579848779333
Energy: 1.1592285879121045
Energy: 1.3763579848779333
Energy: 1.1595469345128884
Energy: 1.4172837183069833
Energy: 1.1629974871601385
Energy: 1.4172837183084566
Energy: 1.1595469345128884
Energy: 1.4172837183084566
Energy: 1.1591145715480913
Energy: 1.3945175124576261
Energy: 1.2303880848976818
Energy: 1.3945175124561526
Energy: 1.159114571546618
Energy: 1.3945175124576261
Energy: 1.1231352213704746
Energy: 1.3764320283699343
Energy: 1.1614355517641537
Energy: 1.3764320283699343
Energy: 1.1231352213704746
Energy: 1.3764320283699343
Energy: 1.1297890796558778
Energy: 1.4178087217761917
Energy: 1.1628299895258876
Energy: 1.4178087217761917
Energy: 1.1297890796558778
Energy: 1.4178087217761917
Energy: 1.3837658169327332
Energy: 1.4167417792738821
Energy: 1.2752814694096288
Energy: 1.4167417792753554
Energy: 1.3837658169327332
Energy: 1.4167417792753554
Energy: 1.1298339180678219
Energy: 1.4178087217761917
Energy: 1.1594292271178785
Energy: 1.4178087217761917
Energy: 1.1298339180678219
Energy: 1.4178087217761917
Energy: 1.1231308988986566
Energy: 1.3764011883832594
Energy: 1.1616050577231285
Energy: 1.3764011883832594
Energy: 1.1231308988986566
Energy: 1.3764011883832594
Energy: 1.1591096628519701
Energy: 1.394507909572543
Energy: 1.1629555729008807
Energy: 1.3945079095740165
Energy: 1.1591096628519701
Energy: 1.3945079095740165
Energy: 1.159548297996638
Energy: 1.417300660287833
Energy: 1.1586150639138837
Energy: 1.417300660287833
Energy: 1.159548297996638
Energy: 1.417300660287833
Energy: 1.159217538266084
Energy: 1.3763321205572718
Energy: 1.1212719207622124
Energy: 1.3763321205572718
Energy: 1.159217538266084
Energy: 1.3763321205572718
Energy: 1.1592285879121045
Energy: 1.3763579848779333
Energy: 1.1213944959017714
Energy: 1.3763579848779333
Energy: 1.1592285879121045
Energy: 1.3763579848779333
Energy: 1.1595469345128884
Energy: 1.4172837183069833
Energy: 1.1629974871601385
Energy: 1.4172837183069833
Energy: 1.1595469345128884
Energy: 1.4172837183069833

minimum gb energy = 1.1212719207622124 eV
minimum distance =  2.22903610359749 Angstroms
sigma value = 11


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

Energy: 1.2067862779816914
Energy: 1.360603768067151
Energy: 1.1290808521320284
Energy: 1.360603768067151
Energy: 1.2067862779816914
Energy: 1.360603768067151
Energy: 1.0442115397908998
Energy: 1.3054806265806065
Energy: 1.0421718100572834
Energy: 1.3054806265806065
Energy: 1.0442115397865828
Energy: 1.3054806265795273
Energy: 1.2055309319573901
Energy: 1.2823735502083822
Energy: 1.1287532603252504
Energy: 1.282373550207303
Energy: 1.2055309319573901
Energy: 1.2823735502083822
Energy: 1.052147456414117
Energy: 1.2787963154070932
Energy: 1.0423378055964212
Energy: 1.2787963154070932
Energy: 1.0521474564130382
Energy: 1.2787963154070932
Energy: 1.042766110859144
Energy: 1.3606580436772902
Energy: 1.1067636764617301
Energy: 1.3606580436772902
Energy: 1.042766110859144
Energy: 1.3606580436772902
Energy: 1.0678628499478422
Energy: 1.3373441000110124
Energy: 1.0421361280273227
Energy: 1.3373441000110124
Energy: 1.0678628499478422
Energy: 1.3373441000110124
Energy: 1.0670542675893606
Energy: 1.2829566261593164
Energy: 1.0422802409162069
Energy: 1.2829566261603955
Energy: 1.0670542675882815
Energy: 1.2829566261593164
Energy: 1.0701720046074643
Energy: 1.36189364716849
Energy: 1.0533791949247298
Energy: 1.36189364716849
Energy: 1.0701720046074643
Energy: 1.361893647169569
Energy: 1.0701451344737718
Energy: 1.3604535760257825
Energy: 1.1292958480013853
Energy: 1.360453576026862
Energy: 1.0701451344726924
Energy: 1.3604535760257825
Energy: 1.0682498598203491
Energy: 1.2823374791871303
Energy: 1.0421408246125667
Energy: 1.282337479186051
Energy: 1.0682498598203491
Energy: 1.282337479186051
Energy: 1.0668132755983362
Energy: 1.3359450835238418
Energy: 1.0422371793647722
Energy: 1.3359450835238418
Energy: 1.0668132755983362
Energy: 1.3359450835238418
Energy: 1.0441443216816384
Energy: 1.3619932609767165
Energy: 1.0427293245480274
Energy: 1.3619932609767165
Energy: 1.044144321680559
Energy: 1.361993260975637
Energy: 1.0713852681268032
Energy: 1.2801765000671153
Energy: 1.1067400331541726
Energy: 1.2801765000681946
Energy: 1.071385268125724
Energy: 1.2801765000671153
Energy: 1.0429088443352381
Energy: 1.2827795162651308
Energy: 1.067187327632451
Energy: 1.2827795162651308
Energy: 1.042908844334159
Energy: 1.2827795162651308
Energy: 1.0446888860150312
Energy: 1.3063958153445372
Energy: 1.0422073649133639
Energy: 1.3063958153445372
Energy: 1.0446888860161103
Energy: 1.3063958153456168
Energy: 1.0541070238705588
Energy: 1.361999679454126
Energy: 1.0744186715029003
Energy: 1.361999679453047
Energy: 1.0541070238705588
Energy: 1.361999679453047
Energy: 1.0517870382931642
Energy: 1.3039371534285358
Energy: 1.0667337924338207
Energy: 1.303937153429615
Energy: 1.0517870382953227
Energy: 1.3039371534285358
Energy: 1.0428465889091991
Energy: 1.2828331578688306
Energy: 1.0954326794501998
Energy: 1.2828331578688306
Energy: 1.0428465889091991
Energy: 1.2828331578688306
Energy: 1.0527625385808737
Energy: 1.2787227174873963
Energy: 1.0421515498361165
Energy: 1.2787227174873963
Energy: 1.0527625385819532
Energy: 1.2787227174873963
Energy: 1.0442301560762914
Energy: 1.3614157543088976
Energy: 1.0672064167416886
Energy: 1.3614157543088976
Energy: 1.044230156075212
Energy: 1.3614157543088976
Energy: 1.130348528756852
Energy: 1.3399942015845292
Energy: 1.0420891068154818
Energy: 1.3399942015845292
Energy: 1.130348528756852
Energy: 1.3399942015845292
Energy: 1.0683726061681273
Energy: 1.2830563519456468
Energy: 1.0425091666271844
Energy: 1.2830563519445677
Energy: 1.0683726061681273
Energy: 1.2830563519445677
Energy: 1.072352448386874
Energy: 1.3642531422641908
Energy: 1.0532596161949757
Energy: 1.3642531422652704
Energy: 1.0723524483836362
Energy: 1.3642531422652704
Energy: 1.0444991396391639
Energy: 1.3607748046245771
Energy: 1.0437297248752881
Energy: 1.3607748046245771
Energy: 1.0444991396391639
Energy: 1.3607748046245771
Energy: 1.0720108586765535
Energy: 1.283202832959114
Energy: 1.0421250878248893
Energy: 1.283202832958035
Energy: 1.0720108586765535
Energy: 1.283202832958035
Energy: 1.0682883304138475
Energy: 1.3366839962346309
Energy: 1.0422119613235084
Energy: 1.3366839962346309
Energy: 1.0682883304149269
Energy: 1.3366839962346309

minimum gb energy = 1.0420891068154818 eV
minimum distance =  2.26162124047758 Angstroms
sigma value = 41


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

Energy: 1.3625483313251576
Energy: 1.2982569348589963
Energy: 1.0302984613146164
Energy: 1.2982569348581454
Energy: 1.3625483313251576
Energy: 1.2982569348581454
Energy: 1.1905667603500358
Energy: 1.2004194846890146
Energy: 0.9538498550279263
Energy: 1.2004194846898653
Energy: 1.1905667603500358
Energy: 1.2004194846898653
Energy: 1.0625636038497872
Energy: 1.2449979548021703
Energy: 0.989536952741284
Energy: 1.2449979548021703
Energy: 1.0625636038497872
Energy: 1.2449979548021703
Energy: 1.1968258680836323
Energy: 1.1679560667650961
Energy: 0.9541577126126733
Energy: 1.1679560667650961
Energy: 1.1968258680836323
Energy: 1.1679560667650961
Energy: 1.071233776618276
Energy: 1.161561261218535
Energy: 1.0308336812692285
Energy: 1.1615612612193857
Energy: 1.071233776618276
Energy: 1.161561261218535
Energy: 1.2117675154652918
Energy: 1.2410869683237564
Energy: 0.9536991196472336
Energy: 1.241086968322906
Energy: 1.2117675154652918
Energy: 1.241086968322906
Energy: 0.9547070675621058
Energy: 1.2445513140259727
Energy: 0.9542830249778717
Energy: 1.2445513140259727
Energy: 0.9547070675621058
Energy: 1.2445513140259727
Energy: 1.2613670995395287
Energy: 1.258216088406145
Energy: 0.9566950160394376
Energy: 1.258216088406145
Energy: 1.2613670995395287
Energy: 1.258216088406145
Energy: 0.9863270954190883
Energy: 1.1618091123608607
Energy: 1.0745248637773586
Energy: 1.16180911236001
Energy: 0.9863270954190883
Energy: 1.16180911236001
Energy: 1.2202808556601696
Energy: 1.246271716068926
Energy: 1.2043922328182903
Energy: 1.2462717160680754
Energy: 1.2202808556601696
Energy: 1.2462717160680754
Energy: 1.2194307365729014
Energy: 1.2444970400900957
Energy: 1.233022619170117
Energy: 1.2444970400900957
Energy: 1.2194307365729014
Energy: 1.2444970400900957
Energy: 0.9890887512687224
Energy: 1.2784249796578608
Energy: 0.9567121822911983
Energy: 1.2784249796578608
Energy: 0.9890887512687224
Energy: 1.2784249796578608
Energy: 0.9862130367804047
Energy: 1.224800298625755
Energy: 1.074234459653801
Energy: 1.224800298625755
Energy: 0.9862130367804047
Energy: 1.2248002986249042
Energy: 0.9572341863496586
Energy: 1.2462154951072992
Energy: 0.953772042302358
Energy: 1.2462154951081497
Energy: 0.9572341863505092
Energy: 1.2462154951072992
Energy: 1.208295400544908
Energy: 1.2456424847161824
Energy: 0.9538796174277847
Energy: 1.245642484717033
Energy: 1.208295400544908
Energy: 1.2456424847161824
Energy: 0.954300920195695
Energy: 1.2783352763933882
Energy: 0.9541916591974772
Energy: 1.2783352763933882
Energy: 0.954300920195695
Energy: 1.2783352763933882
Energy: 1.1920371564032894
Energy: 1.2609013328049388
Energy: 0.9905508064792823
Energy: 1.2609013328049388
Energy: 1.1920371564032894
Energy: 1.2609013328049388
Energy: 0.9567291403973548
Energy: 1.2463439203089688
Energy: 0.9862974323279533
Energy: 1.2463439203089688
Energy: 0.9567291403973548
Energy: 1.2463439203089688
Energy: 1.1903241862572016
Energy: 1.1934396498900484
Energy: 0.954086815508936
Energy: 1.1934396498900484
Energy: 1.1903241862563507
Energy: 1.1934396498900484
Energy: 1.2048601595783268
Energy: 1.2782736543885491
Energy: 1.1077473563211941
Energy: 1.2782736543885491
Energy: 1.2048601595783268
Energy: 1.2782736543885491
Energy: 1.2238326513582158
Energy: 1.1971026615118525
Energy: 0.9904120357901552
Energy: 1.1971026615118525
Energy: 1.2238326513582158
Energy: 1.1971026615118525
Energy: 0.9568194906799518
Energy: 1.246213893454404
Energy: 1.029130017707676
Energy: 1.246213893454404
Energy: 0.9568194906799518
Energy: 1.246213893454404
Energy: 1.1979593427680857
Energy: 1.1650519209236327
Energy: 0.9540722547107578
Energy: 1.165051920922782
Energy: 1.1979593427680857
Energy: 1.165051920922782
Energy: 0.9541270684918959
Energy: 1.200572257130366
Energy: 0.989084273794089
Energy: 1.2005722571295157
Energy: 0.9541270684918959
Energy: 1.200572257130366
Energy: 1.097903385368057
Energy: 1.2248837361484788
Energy: 0.9536093127180757
Energy: 1.2248837361484788
Energy: 1.097903385368057
Energy: 1.2248837361484788
Energy: 0.9570275026303625
Energy: 1.2009978820128357
Energy: 0.9547552087007175
Energy: 1.2009978820128357
Energy: 0.9570275026303625
Energy: 1.2009978820128357
Energy: 1.0569057447798187
Energy: 1.2448350625684779
Energy: 0.9564156978497111
Energy: 1.2448350625684779
Energy: 1.0569057447798187
Energy: 1.2448350625684779
Energy: 0.9891687033132477
Energy: 1.2005905432001485
Energy: 1.1894178245434484
Energy: 1.2005905432001485
Energy: 0.9891687033132477
Energy: 1.2005905432001485
Energy: 1.2184058525958865
Energy: 1.2447979391909576
Energy: 1.2044546648996313
Energy: 1.2447979391909576
Energy: 1.2184058525950356
Energy: 1.2447979391909576
Energy: 0.9543213496103846
Energy: 1.0708568385094044
Energy: 1.2598976144360305
Energy: 1.0708568385111055
Energy: 0.9543213496103846
Energy: 1.0708568385238653
Energy: 0.9859944099706026
Energy: 1.244775202044778
Energy: 0.9564761872263878
Energy: 1.244775202044778
Energy: 0.9859944099706026
Energy: 1.244775202044778
Energy: 0.9895102037909147
Energy: 1.24425012375991
Energy: 1.1894091807420502
Energy: 1.2442501237607604
Energy: 0.9895102037909147
Energy: 1.24425012375991
Energy: 0.9540333955250816
Energy: 1.2444302858083187
Energy: 0.9536126129314486
Energy: 1.2444302858083187
Energy: 0.954033395524231
Energy: 1.2444302858083187

minimum gb energy = 0.9536093127180757 eV
minimum distance =  2.25061495529402 Angstroms
sigma value = 33


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

Energy: 1.185433751892657
Energy: 1.1144637660350245
Energy: 0.865105850396505
Energy: 1.1144637660356211
Energy: 1.1854337518920601
Energy: 1.1144637660356211
Energy: 1.6247591153143535
Energy: 0.8948250806864216
Energy: 0.8478629177869644
Energy: 0.8948250806858246
Energy: 1.6247591153143535
Energy: 0.8948250806858246
Energy: 1.125494549979932
Energy: 1.1243351047546157
Energy: 0.9436213920804597
Energy: 1.1243351047546157
Energy: 1.125494549980529
Energy: 1.1243351047546157
Energy: 1.4779721953377152
Energy: 0.8644662648146034
Energy: 0.847641426243475
Energy: 0.8644662648146034
Energy: 1.4779721953389093
Energy: 0.8644662648140063
Energy: 0.9235605141419597
Energy: 1.1119362770883965
Energy: 0.8784400933942504
Energy: 1.1119362770877996
Energy: 0.9235605141419597
Energy: 1.1119362770877996
Energy: 1.3334452073150285
Energy: 1.0772321956016584
Energy: 0.8477963792700854
Energy: 1.0772321956016584
Energy: 1.3334452073144314
Energy: 1.0772321956010615
Energy: 0.9160074505869354
Energy: 1.0757933418665924
Energy: 0.8528004339642136
Energy: 1.0757933418665924
Energy: 0.9160074505869354
Energy: 1.0757933418659955
Energy: 1.181997650879402
Energy: 1.0795399958485594
Energy: 0.8445030552216902
Energy: 1.0795399958479621
Energy: 1.181997650879402
Energy: 1.0795399958479621
Energy: 0.8460307666328394
Energy: 1.1062367328349587
Energy: 0.9776368362353302
Energy: 1.1062367328367497
Energy: 0.8460307666328394
Energy: 1.1062367328361524
Energy: 1.0312194825875352
Energy: 1.097800340886627
Energy: 1.0199337405674793
Energy: 1.097800340886627
Energy: 1.0312194825887293
Energy: 1.0978003408860302
Energy: 0.8481257248443628
Energy: 1.0760162138568827
Energy: 1.0295554503510977
Energy: 1.0760162138562854
Energy: 0.8481257248449597
Energy: 1.0760162138568827
Energy: 1.344327227072978
Energy: 1.114240106297204
Energy: 1.0534203221457037
Energy: 1.114240106297204
Energy: 1.3443272270723807
Energy: 1.1142401062966072
Energy: 1.0225507578778295
Energy: 1.106043904075956
Energy: 1.2561467948561484
Energy: 1.106043904075956
Energy: 1.0225507578772326
Energy: 1.106043904075956
Energy: 1.0402400261949936
Energy: 1.1134759210464429
Energy: 1.3388992220429778
Energy: 1.1134759210464429
Energy: 1.0402400261949936
Energy: 1.1134759210464429
Energy: 1.0364832509847297
Energy: 1.075924910174723
Energy: 1.3389368297145041
Energy: 1.0759249101741264
Energy: 1.0364832509847297
Energy: 1.075924910174723
Energy: 1.0255107677409503
Energy: 1.1148278548558153
Energy: 1.0570907065408286
Energy: 1.1148278548558153
Energy: 1.0255107677409503
Energy: 1.1148278548558153
Energy: 1.0223784979351687
Energy: 1.1005275398127017
Energy: 1.2599806181038349
Energy: 1.1005275398127017
Energy: 1.0223784979351687
Energy: 1.1005275398127017
Energy: 0.852366303562785
Energy: 1.1130911421001966
Energy: 1.0199055584019876
Energy: 1.1130911421001966
Energy: 0.8523663035633818
Energy: 1.1130911421001966
Energy: 1.0365506851350061
Energy: 1.0987430233460806
Energy: 1.0297936610762195
Energy: 1.0987430233460806
Energy: 1.0365506851350061
Energy: 1.0987430233460806
Energy: 0.850793004788952
Energy: 1.1149168765449013
Energy: 0.8445427942444859
Energy: 1.1149168765460953
Energy: 0.850793004788952
Energy: 1.1149168765460953
Energy: 1.022935368140265
Energy: 1.094677088354736
Energy: 0.9775598063312537
Energy: 1.094677088354736
Energy: 1.022935368140265
Energy: 1.0946770883541392
Energy: 0.8449293421750347
Energy: 1.1130847243295425
Energy: 0.8477883803896661
Energy: 1.1130847243301394
Energy: 0.8449293421750347
Energy: 1.1130847243301394
Energy: 1.338855799967222
Energy: 1.104153132546988
Energy: 0.8528903610616191
Energy: 1.1041531325463911
Energy: 1.338855799967222
Energy: 1.1041531325463911
Energy: 0.8545068204366785
Energy: 1.1149738549294883
Energy: 0.8477821513540856
Energy: 1.1149738549282944
Energy: 0.8545068204360815
Energy: 1.1149738549282944
Energy: 1.3306763640301291
Energy: 1.0954332918039746
Energy: 0.9819682691666322
Energy: 1.0954332918033778
Energy: 1.3306763640295325
Energy: 1.0954332918033778
Energy: 1.0345050255031252
Energy: 1.1129909356342598
Energy: 0.8639128458009969
Energy: 1.1129909356336625
Energy: 1.0345050255031252
Energy: 1.1129909356336625
Energy: 1.6231231770001895
Energy: 0.8677729455185403
Energy: 0.8526201559200143
Energy: 0.8677729455221223
Energy: 1.6231231769995924
Energy: 0.8677729455191373
Energy: 1.0981120995531124
Energy: 1.114539564681189
Energy: 1.0359744622039324
Energy: 1.114539564681189
Energy: 1.0981120995531124
Energy: 1.114539564681189
Energy: 1.3360376451517635
Energy: 1.0855841543504052
Energy: 1.0252104617028006
Energy: 1.0855841543510023
Energy: 1.336037645150569
Energy: 1.0855841543510023
Energy: 1.0340254497548858
Energy: 1.112689744625687
Energy: 1.0619014072549073
Energy: 1.1126897446244932
Energy: 1.0340254497548858
Energy: 1.1126897446244932
Energy: 1.3345018815478742
Energy: 0.86745252383549
Energy: 0.8521790726155772
Energy: 0.8674525238342959
Energy: 1.3345018815472771
Energy: 0.8674525238336991
Energy: 0.8542496759865822
Energy: 1.0961428159198057
Energy: 0.9508263479134437
Energy: 1.0961428159204027
Energy: 0.8542496759859852
Energy: 1.0961428159204027
Energy: 1.1798613158023443
Energy: 1.0735501485323717
Energy: 0.8505990573271386
Energy: 1.0735501485323717
Energy: 1.17986131580115
Energy: 1.0735501485323717
Energy: 0.8447219048935629
Energy: 1.0779487033745712
Energy: 1.1933783537821854
Energy: 1.0779487033745712
Energy: 0.8447219048923689
Energy: 1.077948703373974
Energy: 1.194320730834231
Energy: 1.0779552876020944
Energy: 0.8445535504439927
Energy: 1.0779552876014975
Energy: 1.1943207308336339
Energy: 1.0779552876020944
Energy: 0.8505770342573361
Energy: 1.0737514918962248
Energy: 1.1794203674147912
Energy: 1.073751491895628
Energy: 0.8505770342573361
Energy: 1.073751491895628
Energy: 0.9507299557375498
Energy: 1.0961510820000122
Energy: 0.8543215853652351
Energy: 1.0961510819994151
Energy: 0.9507299557375498
Energy: 1.0961510819994151
Energy: 0.8521677417798097
Energy: 0.8668632388284845
Energy: 1.3343967217795403
Energy: 0.8668632388296784
Energy: 0.8521677417798097
Energy: 0.8668632388290815
Energy: 1.0619014072566981
Energy: 1.1126761201463937
Energy: 1.0339083419380646
Energy: 1.1126761201463937
Energy: 1.0619014072578923
Energy: 1.1126761201463937
Energy: 0.9385560087505604
Energy: 1.0854743748653
Energy: 1.3355424014545647
Energy: 1.0854743748658968
Energy: 0.9385560087499634
Energy: 1.0854743748658968
Energy: 1.036061133785979
Energy: 1.1145197222385
Energy: 1.0609390113879797
Energy: 1.1145197222385
Energy: 1.0360611337889643
Energy: 1.1145197222385
Energy: 0.8526835465209003
Energy: 0.8645450750318735
Energy: 1.623092417099238
Energy: 0.8645450750318735
Energy: 0.8526835465209003
Energy: 0.8645450750318735
Energy: 0.8640718580881324
Energy: 1.1129654493149321
Energy: 1.0352398426529952
Energy: 1.1129654493155292
Energy: 0.8640718580869383
Energy: 1.1129654493155292
Energy: 0.9391326352990876
Energy: 1.095481095086283
Energy: 1.335592952100801
Energy: 1.095481095086283
Energy: 0.9391326353002817
Energy: 1.09548109508688
Energy: 0.8479662122617169
Energy: 1.1149592625144475
Energy: 0.8544905822207307
Energy: 1.1149592625144475
Energy: 0.8479662122623138
Energy: 1.1149592625144475
Energy: 0.8528950600976706
Energy: 1.104153132549376
Energy: 1.3388389980793052
Energy: 1.104153132549376
Energy: 0.8528950600976706
Energy: 1.104153132549376
Energy: 0.8477281767819935
Energy: 1.1130940443480417
Energy: 0.8448192075517699
Energy: 1.1130940443480417
Energy: 0.8477281767831877
Energy: 1.1130940443480417

minimum gb energy = 0.8445030552216902 eV
minimum distance =  2.28367802685229 Angstroms
sigma value = 67


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

Energy: 0.2573767579931768
Energy: 0.25805720911520946
Energy: 0.2578780810385782
Energy: 0.2580572091148014
Energy: 0.2573767579931768
Energy: 0.2580572091156175
Energy: 0.2638225088116904
Energy: 0.8032982779155059
Energy: 0.6270567769252592
Energy: 0.8032982779151432
Energy: 0.2638225088116904
Energy: 0.8032982779151432
Energy: 0.2573767579931768
Energy: 0.25805720911520946
Energy: 0.2578780810389862
Energy: 0.2580572091148014
Energy: 0.2573767579931768
Energy: 0.25805720911520946
Energy: 0.26382250881128233
Energy: 0.8032982779155059
Energy: 0.6270567768450989
Energy: 0.8032982779155059
Energy: 0.26382250881128233
Energy: 0.8032982779155059
Energy: 0.2573767579931768
Energy: 0.25805720911520946
Energy: 1.4343328555946189
Energy: 0.25805720911520946
Energy: 0.2573767579927687
Energy: 0.2580572091148014
Energy: 0.2638225088116904
Energy: 0.8032982779155059
Energy: 0.62705677680919
Energy: 0.8032982779151432
Energy: 0.2638225088116904
Energy: 0.8032982779155059
Energy: 0.2573767579931768
Energy: 0.25805720911520946
Energy: 1.459883157947908
Energy: 0.25805720911520946
Energy: 0.2573767579931768
Energy: 0.25805720911520946

minimum gb energy = 0.2573767579927687 eV
minimum distance =  2.43368879376986 Angstroms
sigma value = 3


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

Energy: 1.4611667957743808
Energy: 1.1030036855957803
Energy: 0.9680090032837658
Energy: 1.1030036855946945
Energy: 1.461166795776553
Energy: 1.1030036855946945
Energy: 1.571214634925761
Energy: 0.849315063465135
Energy: 0.8387437055372501
Energy: 0.8493150634640491
Energy: 1.571214634925761
Energy: 0.849315063465135
Energy: 1.3156196015372392
Energy: 1.1071634040152172
Energy: 1.0318829624042396
Energy: 1.1071634040119596
Energy: 1.315619601538325
Energy: 1.1071634040119596
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Energy: 1.103204022657212
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Energy: 1.1144766847672838
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Energy: 0.8873961889273679
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Energy: 1.3632687839900917
Energy: 1.026547564682536
Energy: 0.8873961889273679
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Energy: 0.8858372471145723
Energy: 1.0812641410142876
Energy: 1.1337659944431362
Energy: 1.08126414102026
Energy: 0.8858372471140294
Energy: 1.08126414102026
Energy: 0.8443811498117519
Energy: 0.9951818908328651
Energy: 1.3138319445399231
Energy: 0.9951818908328651
Energy: 0.8443811498112089
Energy: 0.9951818908323222
Energy: 0.886635569664403
Energy: 1.1011811098333841
Energy: 1.3831698752937767
Energy: 1.1011811098317552
Energy: 0.886635569664403
Energy: 1.101181109831212
Energy: 0.8327955499601158
Energy: 0.8927037867061811
Energy: 1.5098496285381737
Energy: 0.8927037867040093
Energy: 0.8327955499601158
Energy: 0.8927037867040093
Energy: 0.843307365962756
Energy: 1.1133290303819472
Energy: 1.3352352635602414
Energy: 1.1133290303808616
Energy: 0.843307365962756
Energy: 1.1133290303803183
Energy: 0.8469385789695757
Energy: 0.8514958752619174
Energy: 1.4521782179997391
Energy: 0.8514958752624604
Energy: 0.8469385789695757
Energy: 0.8514958752624604
Energy: 0.9040073737974621
Energy: 1.1010055421233291
Energy: 1.3828271423296639
Energy: 1.1010055421260438
Energy: 0.9040073737963762
Energy: 1.1010055421255007
Energy: 0.8392506267358978
Energy: 0.8455355503414556
Energy: 1.5105724097009587
Energy: 0.845535550344121
Energy: 0.8392506267358978
Energy: 0.845535550344121
Energy: 0.8970999488082041
Energy: 1.0812503774718891
Energy: 1.134700773361718
Energy: 1.0812503774724318
Energy: 0.8970999488076612
Energy: 1.0812503774718891
Energy: 0.9021742316339486
Energy: 0.8843859388070787
Energy: 1.2449610165229459
Energy: 0.8843859388076216
Energy: 0.9021742316350346
Energy: 0.8843859388087076
Energy: 1.108293739680004
Energy: 1.0728090555103618
Energy: 1.1137635591239181
Energy: 1.0728090555109049
Energy: 1.108293739680004
Energy: 1.0728090555103618

minimum gb energy = 0.8321951182489908 eV
minimum distance =  2.27935027303381 Angstroms
sigma value = 81


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

Energy: 1.354856558900833
Energy: 0.9609719931751168
Energy: 1.0734148440890012
Energy: 0.9609719931743717
Energy: 1.3548565589000878
Energy: 0.9609719931751168
Energy: 1.2262650215160684
Energy: 0.9646312354813262
Energy: 0.9275315558732465
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Energy: 1.2262650215153228
Energy: 0.9646312354813262
Energy: 1.3644112877310988
Energy: 0.9363412778606172
Energy: 1.0735154690052842
Energy: 0.9363412778613622
Energy: 1.3644112877318437
Energy: 0.9363412778613622
Energy: 1.2130931849877016
Energy: 0.92943064001433
Energy: 0.9273006384467416
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Energy: 1.2130931849877016
Energy: 0.92943064001433
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Energy: 0.9229566854210804
Energy: 0.9354401892609605
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Energy: 0.9229566854210804
Energy: 1.076765782364584
Energy: 0.9324592044362922
Energy: 0.9275575597269561
Energy: 0.9324592044370374
Energy: 1.076765782364584
Energy: 0.9324592044370374
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Energy: 1.0807641635151202
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Energy: 0.9413918997170213
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Energy: 0.9224861666416982
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Energy: 0.9224861666416982
Energy: 1.207676959858507
Energy: 0.9262080863183826
Energy: 1.2223198742574064
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Energy: 0.9262080863183826
Energy: 1.2223198742566612
Energy: 0.9262843123911275
Energy: 0.9786062593919489
Energy: 1.2124900248983845
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Energy: 0.9786062593919489
Energy: 0.9230277149634872
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Energy: 0.9538084491880443
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Energy: 0.9225430889229006
Energy: 0.9394144373800485
Energy: 1.0689440653160924
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Energy: 0.9225430889236459
Energy: 0.9394144373807938
Energy: 1.212513463611882
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Energy: 1.212513463611882
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Energy: 1.212663479041875
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Energy: 1.2326692947242304
Energy: 1.21266347904113
Energy: 1.2326692947242304
Energy: 1.234886751159712
Energy: 1.2433619950884807
Energy: 0.9273310338401145
Energy: 1.2433619950892258
Energy: 1.234886751159712
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Energy: 1.23478335610845
Energy: 1.2235251603049833
Energy: 1.0687845049296973
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Energy: 1.234783356109195
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Energy: 1.2346365663000838
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Energy: 0.931833031637609
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Energy: 1.2346365663000838
Energy: 1.222869285850369
Energy: 1.2345289153977874
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Energy: 0.9318191790798365
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Energy: 1.2345289154015133
Energy: 1.2230305824276282
Energy: 1.2348104609673354
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Energy: 1.0943769589788201
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Energy: 1.2348104609673354
Energy: 1.2235161743448792
Energy: 1.2349747711414316
Energy: 1.2433244700139923
Energy: 0.9273563561200364
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Energy: 1.2349747711406864
Energy: 1.2433244700139923
Energy: 1.212812611586723
Energy: 1.2326630985829194
Energy: 0.9317953643949322
Energy: 1.2326630985829194
Energy: 1.212812611586723
Energy: 1.2326630985829194
Energy: 1.2125454251922325
Energy: 1.2224969158429368
Energy: 0.9276830978558767
Energy: 1.2224969158429368
Energy: 1.2125454251922325
Energy: 1.2224969158429368
Energy: 0.9225388978156684
Energy: 0.9393742972563265
Energy: 1.148403139274444
Energy: 0.9393742972578168
Energy: 0.9225388978156684
Energy: 0.9393742972578168
Energy: 0.9230340343355217
Energy: 1.242873391821637
Energy: 0.9538879868050341
Energy: 1.242873391821637
Energy: 0.9230340343355217
Energy: 1.242873391821637
Energy: 0.926277442325108
Energy: 0.9786062593912036
Energy: 1.2125356419627151
Energy: 0.9786062593919489
Energy: 0.926277442325108
Energy: 0.9786062593919489
Energy: 0.9262005697982735
Energy: 1.2223207916961707
Energy: 1.2342321399153642
Energy: 1.2223207916969159
Energy: 0.9262005697982735
Energy: 1.2223207916969159
Energy: 0.9224750177655862
Energy: 1.2076601910512725
Energy: 1.0880033740629635
Energy: 1.2076601910512725
Energy: 0.9224750177655862
Energy: 1.2076601910512725
Energy: 0.9414508140269476
Energy: 1.2424937124154534
Energy: 1.2838043871621188
Energy: 1.2424937124161985
Energy: 0.9414508140269476
Energy: 1.2424937124161985
Energy: 0.9263074231622079
Energy: 0.927777559068039
Energy: 1.2360682893763821
Energy: 0.927777559068039
Energy: 0.9263074231622079
Energy: 0.927777559068039
Energy: 0.9765073468916302
Energy: 1.2222598151553505
Energy: 1.2341517169775515
Energy: 1.2222598151546054
Energy: 0.9765073468916302
Energy: 1.2222598151546054
Energy: 0.9225513480571036
Energy: 0.9238598097517332
Energy: 1.1495681840546172
Energy: 0.9238598097524785
Energy: 0.9225513480571036
Energy: 0.9238598097524785
Energy: 0.9416539038296871
Energy: 0.928276854363718
Energy: 0.9538186253190752
Energy: 0.928276854363718
Energy: 0.9416539038304323
Energy: 0.9282768543629728
Energy: 0.9441909618579652
Energy: 0.9277669639495881
Energy: 1.080943582426453
Energy: 0.9277669639503333
Energy: 0.9441909618579652
Energy: 0.9277669639503333

minimum gb energy = 0.9224750177655862 eV
minimum distance =  2.29691822009355 Angstroms
sigma value = 43


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

Energy: 1.6198432140277896
Energy: 1.350091132604433
Energy: 1.1465345446321002
Energy: 1.3500911326053484
Energy: 1.6198432140268744
Energy: 1.3500911326053484
Energy: 1.2885232462996201
Energy: 1.0300942754081188
Energy: 0.9878679162250197
Energy: 1.030094275409034
Energy: 1.2885232462996201
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Energy: 1.1954714282156587
Energy: 1.0003030581006902
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Energy: 0.9906368804842078
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Energy: 0.9895928655021211
Energy: 1.097144383073806
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Energy: 1.1411584290303014
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Energy: 1.0842700962907448
Energy: 0.9917953279787509
Energy: 1.0924607652894176
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Energy: 1.0842700962907448
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Energy: 1.0921598003712285
Energy: 0.9849142927565863
Energy: 1.0014286458250643
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Energy: 1.1286053796262707
Energy: 1.0043575332072876
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Energy: 0.9910078637780544
Energy: 0.9877927584518668
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Energy: 0.9877927584518668
Energy: 0.9910078637780544
Energy: 0.987792758452782
Energy: 0.9993780925670351
Energy: 1.3312012515264449
Energy: 1.4032238039704283
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Energy: 0.984824655635522
Energy: 0.9960785599173981
Energy: 1.1060438402147623
Energy: 0.9960785599192289
Energy: 0.984824655635522
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Energy: 1.0840145583708547
Energy: 1.0041608158649304
Energy: 1.1603711764475886
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Energy: 0.9901317113299735
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Energy: 1.330006801947346
Energy: 1.0927969353187135
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Energy: 1.099153386643912
Energy: 0.9929246139009575
Energy: 1.0873974214317925
Energy: 0.9929246139000423
Energy: 1.099153386643912
Energy: 0.9929246139009575
Energy: 1.2880086317224182
Energy: 0.9882747786260669
Energy: 1.002676532659157
Energy: 0.9882747786269823
Energy: 1.2880086317224182
Energy: 0.9882747786269823
Energy: 1.2879880601032265
Energy: 1.004663979047778
Energy: 1.1716569318821777
Energy: 1.0046639790496086
Energy: 1.2879880601050573
Energy: 1.0046639790486933
Energy: 1.347068100825659
Energy: 1.0054110482778664
Energy: 0.992484203314273
Energy: 1.0054110482778664
Energy: 1.347068100825659
Energy: 1.0054110482778664
Energy: 1.3463739892269624
Energy: 1.3345301155767153
Energy: 0.9923946402297511
Energy: 1.3345301155767153
Energy: 1.3463739892269624
Energy: 1.3345301155767153
Energy: 1.2880803969012995
Energy: 0.9968542578497467
Energy: 0.9877081395295971
Energy: 0.9968542578479159
Energy: 1.2880803969003842
Energy: 0.9968542578488313
Energy: 1.288164562342744
Energy: 1.3725579094270486
Energy: 1.0047355724274656
Energy: 1.3725579094270486
Energy: 1.2881645623436593
Energy: 1.3725579094270486
Energy: 1.092903924631141
Energy: 0.993367046997398
Energy: 1.0853122199299907
Energy: 0.993367046997398
Energy: 1.092903924631141
Energy: 0.993367046997398
Energy: 1.093192126315552
Energy: 1.32943546850466
Energy: 1.101107612105439
Energy: 1.32943546850466
Energy: 1.093192126315552
Energy: 1.32943546850466
Energy: 1.0836897910558692
Energy: 1.345216685605538
Energy: 1.0940142126444552
Energy: 1.345216685605538
Energy: 1.0836897910558692
Energy: 1.345216685605538
Energy: 1.0849251244901659
Energy: 1.3721329438916319
Energy: 1.1607028580285992
Energy: 1.3721329438925474
Energy: 1.0849251244901659
Energy: 1.3721329438925474
Energy: 0.9853755763365633
Energy: 0.9946720982127271
Energy: 1.2881296630797814
Energy: 0.9946720982127271
Energy: 0.9853755763365633
Energy: 0.9946720982118118
Energy: 0.9965120008140274
Energy: 1.3293278131286541
Energy: 1.404223016156753
Energy: 1.329327813127739
Energy: 0.9965120008140274
Energy: 1.3293278131286541
Energy: 0.991468700883438
Energy: 1.313384608487282
Energy: 1.2325348586259945
Energy: 1.3133846084881975
Energy: 0.991468700883438
Energy: 1.3133846084881975
Energy: 1.1258093923516397
Energy: 1.003225879933551
Energy: 1.1607673888870866
Energy: 1.0032258799344662
Energy: 1.1258093923516397
Energy: 1.003225879933551
Energy: 1.0019456708042198
Energy: 0.985443395347362
Energy: 1.2883988442637357
Energy: 0.9854433953482773
Energy: 1.0019456708042198
Energy: 0.985443395347362
Energy: 1.0129184461793075
Energy: 0.9917217410122259
Energy: 1.1012196370760303
Energy: 0.9917217410122259
Energy: 1.0129184461793075
Energy: 0.9917217410131413

minimum gb energy = 0.984824655635522 eV
minimum distance =  2.29325482912164 Angstroms
sigma value = 57


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

Energy: 1.1583367797140198
Energy: 1.4492697762186295
Energy: 1.2398818156104863
Energy: 1.4492697762186295
Energy: 1.1583367797140198
Energy: 1.4492697762186295
Energy: 1.0793053071782135
Energy: 1.1502676855500458
Energy: 1.072186069803464
Energy: 1.1502676855500458
Energy: 1.0793053071782135
Energy: 1.1502676855500458
Energy: 1.0804963261618918
Energy: 1.4536840003378013
Energy: 1.2402014490393882
Energy: 1.4536840003378013
Energy: 1.0804963261618918
Energy: 1.4536840003366431
Energy: 1.077034430559346
Energy: 1.066183580651821
Energy: 1.0715919236065155
Energy: 1.066183580651821
Energy: 1.077034430559346
Energy: 1.066183580651821
Energy: 1.0676143456832254
Energy: 1.0877858325061887
Energy: 1.0797577945056702
Energy: 1.0877858325061887
Energy: 1.0676143456832254
Energy: 1.0877858325061887
Energy: 1.077238533530881
Energy: 1.0650158420773683
Energy: 1.0754894885225226
Energy: 1.0650158420773683
Energy: 1.077238533530881
Energy: 1.065015842076183
Energy: 1.0658248142972822
Energy: 1.066057716081349
Energy: 1.0809322186491084
Energy: 1.0660577160825344
Energy: 1.0658248142972822
Energy: 1.0660577160825344
Energy: 1.0761982075500036
Energy: 1.0707424731863209
Energy: 1.1554338944649787
Energy: 1.0707424731863209
Energy: 1.0761982075511887
Energy: 1.0707424731863209
Energy: 1.0680219383169767
Energy: 1.149099456193724
Energy: 1.060098746105648
Energy: 1.149099456193724
Energy: 1.0680219383169767
Energy: 1.149099456193724
Energy: 1.0672723035846725
Energy: 1.438544100747571
Energy: 1.0757555461872517
Energy: 1.438544100747571
Energy: 1.0672723035834877
Energy: 1.438544100747571
Energy: 1.0646788659184547
Energy: 1.0652591027782616
Energy: 1.0658330992049974
Energy: 1.0652591027782616
Energy: 1.0646788659184547
Energy: 1.0652591027782616
Energy: 1.0702526213824008
Energy: 1.0685192800310572
Energy: 1.0719264042027787
Energy: 1.0685192800310572
Energy: 1.0702526213824008
Energy: 1.0685192800298722
Energy: 1.068282167407122
Energy: 1.0697514247190847
Energy: 1.1019798321319736
Energy: 1.0697514247190847
Energy: 1.068282167407122
Energy: 1.0697514247202697
Energy: 1.0691736200332043
Energy: 1.4478136134046022
Energy: 1.067254933555696
Energy: 1.4478136134046022
Energy: 1.0691736200332043
Energy: 1.4478136134046022
Energy: 1.0688343167575
Energy: 1.0698877767360242
Energy: 1.0812194152717272
Energy: 1.0698877767360242
Energy: 1.068834316756315
Energy: 1.0698877767360242
Energy: 1.0695627200848927
Energy: 1.4582866129328058
Energy: 1.0720113925179842
Energy: 1.4582866129316208
Energy: 1.0695627200848927
Energy: 1.4582866129316208
Energy: 1.0687928156114752
Energy: 1.0691520284018725
Energy: 1.0647083232531074
Energy: 1.0691520284018725
Energy: 1.0687928156114752
Energy: 1.0691520284006875
Energy: 1.067592433539808
Energy: 1.1009403472562032
Energy: 1.0676167314075165
Energy: 1.1009403472562032
Energy: 1.067592433539808
Energy: 1.1009403472562032
Energy: 1.0647002823052467
Energy: 1.068107275674815
Energy: 1.068802845603251
Energy: 1.068107275676
Energy: 1.0647002823052467
Energy: 1.068107275674815
Energy: 1.0720779868361232
Energy: 1.4582843363245395
Energy: 1.0695626619247411
Energy: 1.4582843363257247
Energy: 1.0720779868361232
Energy: 1.4582843363257247
Energy: 1.0811639274963505
Energy: 1.0697383834606582
Energy: 1.0670754099575714
Energy: 1.0697383834606582
Energy: 1.0811639274963505
Energy: 1.0697383834606582
Energy: 1.067225813445687
Energy: 1.0666554744447705
Energy: 1.0692539946178674
Energy: 1.0666554744447705
Energy: 1.067225813445687
Energy: 1.0666554744447705
Energy: 1.1492448433003783
Energy: 1.0696232398411967
Energy: 1.068285639726214
Energy: 1.0696232398411967
Energy: 1.149244843299193
Energy: 1.0696232398411967
Energy: 1.071934927728808
Energy: 1.0682997992533048
Energy: 1.0702566772529392
Energy: 1.0682997992533048
Energy: 1.071934927728808
Energy: 1.0682997992533048

minimum gb energy = 1.060098746105648 eV
minimum distance =  2.29654001607277 Angstroms
sigma value = 17


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

Energy: 1.1596755108762538
Energy: 1.1584337810038159
Energy: 1.1776198023991116
Energy: 1.1584337810038159
Energy: 1.1596755108762538
Energy: 1.1584337810038159
Energy: 1.1771701691896903
Energy: 1.1489023817308461
Energy: 1.1493350144709276
Energy: 1.1489023817308461
Energy: 1.1771701691896903
Energy: 1.1489023817308461
Energy: 1.1509558343670967
Energy: 1.1510915747423103
Energy: 1.345895751005428
Energy: 1.1510915747423103
Energy: 1.1509558343670967
Energy: 1.1510915747423103
Energy: 1.1748927230178274
Energy: 1.1492249506536378
Energy: 1.149366740404219
Energy: 1.1492249506536378
Energy: 1.1748927230178274
Energy: 1.1492249506536378
Energy: 1.1477747226661612
Energy: 1.1483826112685789
Energy: 1.1505866674687586
Energy: 1.1483826112685789
Energy: 1.1477747226661612
Energy: 1.1483826112685789
Energy: 1.1489817506030442
Energy: 1.1586110961200935
Energy: 1.1600016389707983
Energy: 1.1586110961200935
Energy: 1.1489817506030442
Energy: 1.1586110961200935
Energy: 1.1527335751554575
Energy: 1.3252624216438618
Energy: 1.1805510426964803
Energy: 1.3252624216438618
Energy: 1.1527335751554575
Energy: 1.3252624216438618
Energy: 1.1485269114508374
Energy: 1.4357701981417283
Energy: 1.1494617389308501
Energy: 1.4357701981417283
Energy: 1.1485269114508374
Energy: 1.4357701981417283
Energy: 1.1478130999432816
Energy: 1.1481112175286898
Energy: 1.2149358025907664
Energy: 1.1481112175286898
Energy: 1.1478130999432816
Energy: 1.1481112175286898
Energy: 1.159406637154336
Energy: 1.1314733693744217
Energy: 1.1494442588688332
Energy: 1.1314733693744217
Energy: 1.159406637154336
Energy: 1.1314733693744217
Energy: 1.1615496336025046
Energy: 1.150985817044288
Energy: 1.1573441109386045
Energy: 1.150985817044288
Energy: 1.1615496336025046
Energy: 1.150985817044288
Energy: 1.1483223794981572
Energy: 1.151233140147964
Energy: 1.1547097460326927
Energy: 1.151233140147964
Energy: 1.1483223794981572
Energy: 1.151233140147964
Energy: 1.1480141420950543
Energy: 1.2960178814346295
Energy: 1.1540466453621385
Energy: 1.2960178814346295
Energy: 1.1480141420950543
Energy: 1.2960178814346295
Energy: 1.1485184676963558
Energy: 1.1486941412179235
Energy: 1.1496148497873782
Energy: 1.1486941412195997
Energy: 1.1485184676963558
Energy: 1.1486941412195997
Energy: 1.1530203023880272
Energy: 1.4157729193626651
Energy: 1.1602779484949624
Energy: 1.4157729193626651
Energy: 1.1530203023880272
Energy: 1.4157729193626651
Energy: 1.1540330823046518
Energy: 1.1491278754244088
Energy: 1.160174557596605
Energy: 1.1491278754244088
Energy: 1.1540330823046518
Energy: 1.1491278754244088
Energy: 1.1579265883789345
Energy: 1.149629606520376
Energy: 1.1483140282777906
Energy: 1.149629606520376
Energy: 1.1579265883789345
Energy: 1.149629606520376

minimum gb energy = 1.1314733693744217 eV
minimum distance =  2.27581306252891 Angstroms
sigma value = 17


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

Energy: 1.8275226636461044
Energy: 1.49213908076679
Energy: 1.2739454882928483
Energy: 1.492139080767437
Energy: 1.8275226636467516
Energy: 1.492139080768084
Energy: 1.4490562395958528
Energy: 1.1721979456213558
Energy: 1.1365884779091693
Energy: 1.1721979456207086
Energy: 1.4490562395965003
Energy: 1.1721979456200615
Energy: 1.1750525460488803
Energy: 1.212258242883831
Energy: 1.1600646867997144
Energy: 1.212258242883831
Energy: 1.1750525460495276
Energy: 1.212258242883831
Energy: 1.1437752519176567
Energy: 1.1612573308573217
Energy: 1.3584340968592408
Energy: 1.161257330857969
Energy: 1.1437752519176567
Energy: 1.161257330857969
Energy: 1.134734648596051
Energy: 1.1726064319461897
Energy: 1.2207298339623402
Energy: 1.172606431947484
Energy: 1.134734648596051
Energy: 1.172606431947484
Energy: 1.2907641757587403
Energy: 1.1738216860367061
Energy: 1.3902393332766179
Energy: 1.1738216860373532
Energy: 1.290764175757446
Energy: 1.1738216860444437
Energy: 1.1641430676624354
Energy: 1.227626122736704
Energy: 1.506547233032572
Energy: 1.2276261227386456
Energy: 1.1641430676624354
Energy: 1.2276261227399399
Energy: 1.1469732066892604
Energy: 1.1326123769807084
Energy: 1.1627569177944594
Energy: 1.1326123769807084
Energy: 1.146973206691202
Energy: 1.1326123769813556
Energy: 1.3888589484562575
Energy: 1.1737445139527065
Energy: 1.1452700214571905
Energy: 1.1737445139598262
Energy: 1.3888589484562575
Energy: 1.1737445139986316
Energy: 1.1344201353009291
Energy: 1.1870866911157374
Energy: 1.1357598232938413
Energy: 1.1870866911150901
Energy: 1.1344201353002819
Energy: 1.1870866911150901
Energy: 1.3567053837783187
Energy: 1.4889580761217054
Energy: 1.3370033469509695
Energy: 1.4889580761197638
Energy: 1.3567053837783187
Energy: 1.4889580761197638
Energy: 1.1709302900101046
Energy: 1.1717979966857173
Energy: 1.181055975723931
Energy: 1.1717979966863352
Energy: 1.1709302900094571
Energy: 1.17179799668507
Energy: 1.1388175054125131
Energy: 1.1388647902132554
Energy: 1.4258845384774446
Energy: 1.1388647902126081
Energy: 1.1388175054125131
Energy: 1.1388647902126081
Energy: 1.182522878278583
Energy: 1.4135943260918555
Energy: 1.6258271782124911
Energy: 1.4135943260905905
Energy: 1.1825228782779358
Energy: 1.4135943260905905
Energy: 1.1734352037069158
Energy: 1.4132462657782279
Energy: 1.3371459790024387
Energy: 1.4132462657775806
Energy: 1.173435203707563
Energy: 1.4132462657769331
Energy: 1.3507698323544906
Energy: 1.4631575936945738
Energy: 1.18124297905943
Energy: 1.463157593695868
Energy: 1.3507698323544906
Energy: 1.4631575936952208
Energy: 1.3486753829269955
Energy: 1.1338509510825279
Energy: 1.1447403404800955
Energy: 1.1338509510825279
Energy: 1.3486753829269955
Energy: 1.1338509510825279
Energy: 1.5521922434138442
Energy: 1.4054615197959963
Energy: 1.1509833228089084
Energy: 1.4054615197959963
Energy: 1.552192243413197
Energy: 1.4054615197959963
Energy: 1.4828517109522608
Energy: 1.3731063633050151
Energy: 1.1679913132412814
Energy: 1.3731063633043676
Energy: 1.4828517109522608
Energy: 1.3731063633050151
Energy: 1.1734470337653367
Energy: 1.1854365016756339
Energy: 1.1745334479069691
Energy: 1.1854365016749868
Energy: 1.1734470337653367
Energy: 1.1854365016743393
Energy: 1.168569521802584
Energy: 1.3767526759474304
Energy: 1.542480280474394
Energy: 1.3767526759474304
Energy: 1.1685695218032313
Energy: 1.3767526759474304
Energy: 1.1526118399316814
Energy: 1.3336650246913366
Energy: 1.4054904765599712
Energy: 1.3336650246932786
Energy: 1.1526118399316814
Energy: 1.3336650246939257
Energy: 1.1434893834049664
Energy: 1.3453895614771179
Energy: 1.3596794738549565
Energy: 1.3453895614771179
Energy: 1.1434893834049664
Energy: 1.3453895614771179
Energy: 1.1828055301631757
Energy: 1.367494284351579
Energy: 1.3527928952851886
Energy: 1.367494284349637
Energy: 1.182805530163823
Energy: 1.367494284349637
Energy: 1.3394060183834555
Energy: 1.1701914834243616
Energy: 1.1426810893695523
Energy: 1.1701914834230673
Energy: 1.3394060183834555
Energy: 1.1701914834230673
Energy: 1.580180857174906
Energy: 1.395813124600021
Energy: 1.1828240921142492
Energy: 1.3958131245987264
Energy: 1.5801808571762008
Energy: 1.3958131245987264
Energy: 1.4346477683380492
Energy: 1.13531853669969
Energy: 1.1399752487266743
Energy: 1.13531853669969
Energy: 1.4346477683374017
Energy: 1.13531853669969
Energy: 1.1823109792868216
Energy: 1.3556666819132497
Energy: 1.1709457944036896
Energy: 1.3556666819126024
Energy: 1.1823109792868216
Energy: 1.3556666819119552
Energy: 1.283966651815657
Energy: 1.378322931664931
Energy: 1.3564751600632097
Energy: 1.3783229316642838
Energy: 1.2839666518150097
Energy: 1.3783229316642838
Energy: 1.1383890444196554
Energy: 1.1738320387570833
Energy: 1.3907645934013089
Energy: 1.1738320387544943
Energy: 1.1383890444196554
Energy: 1.1738320387544943
Energy: 1.148253464414985
Energy: 1.1739084001351388
Energy: 1.388544815236707
Energy: 1.1739084001331972
Energy: 1.1482534644143376
Energy: 1.1739084001364333
Energy: 1.1629861098114012
Energy: 1.133168949991179
Energy: 1.4000385808076878
Energy: 1.1331689499931208
Energy: 1.1629861098114012
Energy: 1.1331689499924735
Energy: 1.3347413665335683
Energy: 1.2274987769476509
Energy: 1.164812527285324
Energy: 1.2274987769463566
Energy: 1.3347413665335683
Energy: 1.2274987769470036
Energy: 1.3898997518403422
Energy: 1.1739362693599562
Energy: 1.331729308634976
Energy: 1.173936269359309
Energy: 1.3898997518403422
Energy: 1.1739362693580147
Energy: 1.451443953760573
Energy: 1.1929373263031653
Energy: 1.135194721030652
Energy: 1.1929373263031653
Energy: 1.4514439537612203
Energy: 1.1929373263031653
Energy: 1.3580506256261935
Energy: 1.1613270684061396
Energy: 1.1434027746182485
Energy: 1.161327068406787
Energy: 1.3580506256255462
Energy: 1.1613270684054924
Energy: 1.1332255161728093
Energy: 1.2171398120757446
Energy: 1.1749972757720744
Energy: 1.2171398120744499
Energy: 1.1332255161728093
Energy: 1.2171398120744499
Energy: 1.1370987372416017
Energy: 1.1723177664112634
Energy: 1.1469422113432624
Energy: 1.1723177664106166
Energy: 1.1370987372416017
Energy: 1.1723177664106166
Energy: 1.3178617709131413
Energy: 1.5591058369764625
Energy: 1.7055365476049245
Energy: 1.5591058369758153
Energy: 1.3178617709092577
Energy: 1.5591058369758153
Energy: 1.135289337029658
Energy: 1.1718330164523931
Energy: 1.4490562395952058
Energy: 1.1718330164536874
Energy: 1.135289337029658
Energy: 1.1718330164536874
Energy: 1.133653118419231
Energy: 1.2122582428851254
Energy: 1.1750525460495276
Energy: 1.2122582428831838
Energy: 1.1336531184185836
Energy: 1.2122582428844781
Energy: 1.3584158832628912
Energy: 1.1609897683097252
Energy: 1.143775251918951
Energy: 1.1609897683103725
Energy: 1.3584158832628912
Energy: 1.1609897683097252
Energy: 1.2207298344035549
Energy: 1.1929373263044598
Energy: 1.1347346485954037
Energy: 1.1929373263005763
Energy: 1.220729834509026
Energy: 1.1929373263005763

minimum gb energy = 1.1326123769807084 eV
minimum distance =  2.22739004138757 Angstroms
sigma value = 57


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

Energy: 1.4979376000199804
Energy: 1.3598452944515138
Energy: 1.4660044151525098
Energy: 1.3598452944515138
Energy: 1.4979376000199804
Energy: 1.3598452944515138
Energy: 1.3018093070067238
Energy: 1.1556850079932395
Energy: 1.155500693101313
Energy: 1.1556850079911318
Energy: 1.30180930700567
Energy: 1.1556850079911318
Energy: 1.1572192634269762
Energy: 1.2289549055352837
Energy: 1.3143011089297005
Energy: 1.2289549055352837
Energy: 1.1572192634269762
Energy: 1.2289549055363376
Energy: 1.2791173202684094
Energy: 1.238124478933704
Energy: 1.4501014929910168
Energy: 1.2381244789315964
Energy: 1.2791173202684094
Energy: 1.238124478933704
Energy: 1.1072627081693247
Energy: 1.1951794970121996
Energy: 1.4790803705793711
Energy: 1.1951794970111458
Energy: 1.1072627081693247
Energy: 1.1951794970111458
Energy: 1.4038470061132904
Energy: 1.2392804014539243
Energy: 1.450190858892205
Energy: 1.2392804014528704
Energy: 1.4038470061132904
Energy: 1.2392804014528704
Energy: 1.1592974848681858
Energy: 1.2398246709113736
Energy: 1.1604759574158212
Energy: 1.2398246709113736
Energy: 1.1592974848681858
Energy: 1.2398246709103198
Energy: 1.105992237118778
Energy: 1.2315100170102744
Energy: 1.1553795516896448
Energy: 1.2315100170102744
Energy: 1.105992237119832
Energy: 1.2315100170102744
Energy: 1.3044092682253383
Energy: 1.1081737472333404
Energy: 1.1626442511379744
Energy: 1.1081737472333404
Energy: 1.3044092682253383
Energy: 1.1081737472333404
Energy: 1.3749350700518101
Energy: 1.1556364052497
Energy: 1.1574430133520544
Energy: 1.1556364052497
Energy: 1.3749350700518101
Energy: 1.1556364052497
Energy: 1.1594583158212428
Energy: 1.1068682289032503
Energy: 1.4426895953869612
Energy: 1.1068682289032503
Energy: 1.1594583158201888
Energy: 1.1068682289043044
Energy: 1.2153737536311187
Energy: 1.2378379036810907
Energy: 1.4470077089364604
Energy: 1.2378379036831986
Energy: 1.2153737536311187
Energy: 1.2378379036810907
Energy: 1.1117393850389297
Energy: 1.2410185029548348
Energy: 1.4446206214703696
Energy: 1.2410185029537808
Energy: 1.1117393850378756
Energy: 1.2410185029537808
Energy: 1.3968900049006285
Energy: 1.3035473010683958
Energy: 1.4472635497910644
Energy: 1.3035473010683958
Energy: 1.3968900049006285
Energy: 1.3035473010694496
Energy: 1.1665405454737896
Energy: 1.2414086504466775
Energy: 1.1597305327613951
Energy: 1.241408650447731
Energy: 1.1665405454737896
Energy: 1.241408650447731
Energy: 1.3785738309485784
Energy: 1.1791663581150185
Energy: 1.1594722132219109
Energy: 1.179166358111857
Energy: 1.378573830944363
Energy: 1.1791663581202878
Energy: 1.49231848336646
Energy: 1.2301251536578088
Energy: 1.1602689012807468
Energy: 1.230125153624085
Energy: 1.49231848336646
Energy: 1.2301251536525395
Energy: 1.453626923766649
Energy: 1.3034777233551136
Energy: 1.1639874278142983
Energy: 1.3034777233551136
Energy: 1.453626923766649
Energy: 1.3034777233551136
Energy: 1.1668907647869764
Energy: 1.1080615316952003
Energy: 1.445567572458596
Energy: 1.108061531689931
Energy: 1.1668907647880304
Energy: 1.1080615316920388
Energy: 1.2379199946690842
Energy: 1.230224797214546
Energy: 1.4512187713065112
Energy: 1.2302247972156
Energy: 1.237919994670138
Energy: 1.2302247972156
Energy: 1.116426991829814
Energy: 1.2384709839229358
Energy: 1.4543706417863644
Energy: 1.238470983921882
Energy: 1.116426991829814
Energy: 1.238470983921882
Energy: 1.1581429069156346
Energy: 1.1074535741626552
Energy: 1.444755049467776
Energy: 1.1074535741616014
Energy: 1.1581429069156346
Energy: 1.1074535741605473
Energy: 1.1700580678398955
Energy: 1.2296066327976845
Energy: 1.1632215900507217
Energy: 1.2296066327987383
Energy: 1.1700580678388415
Energy: 1.2296066327976845
Energy: 1.3166603338256455
Energy: 1.6004122806266876
Energy: 1.1632812759960818
Energy: 1.6004122806266876
Energy: 1.3166603338256455
Energy: 1.6004122806266876
Energy: 1.303017554141525
Energy: 1.255762514284229
Energy: 1.1628402906250712
Energy: 1.2557625142831752
Energy: 1.303017554141525
Energy: 1.2557625142831752
Energy: 1.1706819261946175
Energy: 1.2400628809158485
Energy: 1.1631456798481763
Energy: 1.2400628809158485
Energy: 1.1706819261946175
Energy: 1.2400628809158485
Energy: 1.169661514984611
Energy: 1.1066626614557844
Energy: 1.448136023811241
Energy: 1.1066626614557844
Energy: 1.1696615149835572
Energy: 1.1066626614557844

minimum gb energy = 1.105992237118778 eV
minimum distance =  2.30195731785513 Angstroms
sigma value = 43


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

Energy: 1.361383736339952
Energy: 1.1784736955897814
Energy: 1.3943161740747112
Energy: 1.1784736955897814
Energy: 1.361383736339952
Energy: 1.1784736955890134
Energy: 1.2328436437625219
Energy: 1.1757196167441173
Energy: 1.1581018829311147
Energy: 1.1757196167441173
Energy: 1.2328436437625219
Energy: 1.1757196167441173
Energy: 1.1573376549794454
Energy: 1.3102392405219259
Energy: 1.1581212944820223
Energy: 1.3102392405226937
Energy: 1.1573376549794454
Energy: 1.3102392405219259
Energy: 1.3688294394824356
Energy: 1.1579172890466336
Energy: 1.3072288830709984
Energy: 1.1579172890458655
Energy: 1.3688294394816676
Energy: 1.1579172890466336
Energy: 1.156982952560582
Energy: 1.2335391969485143
Energy: 1.2780896807378588
Energy: 1.2335391969477463
Energy: 1.156982952560582
Energy: 1.2335391969485143
Energy: 1.2901472465989159
Energy: 1.2892723116188114
Energy: 1.1783524682306892
Energy: 1.2892723116195794
Energy: 1.2901472465989159
Energy: 1.2892723116195794
Energy: 1.1799820225839301
Energy: 1.2897425552715034
Energy: 1.17603696960753
Energy: 1.2897425552707356
Energy: 1.1799820225839301
Energy: 1.2897425552707356
Energy: 1.2999434931371503
Energy: 1.2337278704857284
Energy: 1.1564290910091766
Energy: 1.2337278704857284
Energy: 1.2999434931379183
Energy: 1.2337278704857284
Energy: 1.3082453755379386
Energy: 1.1574349920263258
Energy: 1.3128322167944233
Energy: 1.1574349920278615
Energy: 1.3082453755379386
Energy: 1.1574349920270937
Energy: 1.3986659329702429
Energy: 1.311593699650209
Energy: 1.1615590104444882
Energy: 1.311593699649441
Energy: 1.3986659329702429
Energy: 1.311593699649441
Energy: 1.159705334922607
Energy: 1.228402974665966
Energy: 1.5285566749610568
Energy: 1.228402974665966
Energy: 1.1597053349218394
Energy: 1.2284029746651979
Energy: 1.1759735673314309
Energy: 1.178208344777591
Energy: 1.3649511118451283
Energy: 1.1782083447768235
Energy: 1.1759735673314309
Energy: 1.1782083447768235
Energy: 1.157870095150625
Energy: 1.176431236074375
Energy: 1.3063321023971843
Energy: 1.1764312360736071
Energy: 1.157870095150625
Energy: 1.1764312360736071
Energy: 1.3068923021342342
Energy: 1.1574538994784174
Energy: 1.1615614359322264
Energy: 1.1574538994784174
Energy: 1.3068923021334662
Energy: 1.1574538994784174
Energy: 1.312846575792608
Energy: 1.1588281232454012
Energy: 1.1737153290994615
Energy: 1.158828123246169
Energy: 1.312846575792608
Energy: 1.158828123246169
Energy: 1.2907482083377295
Energy: 1.3068857639687215
Energy: 1.1551668414153955
Energy: 1.3068857639687215
Energy: 1.2907482083377295
Energy: 1.3068857639687215
Energy: 1.177570689416025
Energy: 1.1779436168029738
Energy: 1.2907172644247478
Energy: 1.1779436168037416
Energy: 1.177570689415257
Energy: 1.1779436168029738
Energy: 1.178011026495271
Energy: 1.2916123700252105
Energy: 1.1775330148414367
Energy: 1.2916123700259783
Energy: 1.1780110264945032
Energy: 1.2916123700259783
Energy: 1.1566796259516856
Energy: 1.1770081291534116
Energy: 1.3068427529617401
Energy: 1.1770081291534116
Energy: 1.1566796259524537
Energy: 1.177008129152644
Energy: 1.157249648160562
Energy: 1.2885877505062253
Energy: 1.307065876781464
Energy: 1.2885877505046897
Energy: 1.1572496481597943
Energy: 1.2885877505054575
Energy: 1.1573702460469593
Energy: 1.3131571502653374
Energy: 1.1754411406339418
Energy: 1.3131571502645698
Energy: 1.1573702460469593
Energy: 1.3131571502645698
Energy: 1.679738885801225
Energy: 1.163597430376556
Energy: 1.1577916581754433
Energy: 1.163597430377324
Energy: 1.679738885801225
Energy: 1.163597430377324
Energy: 1.5784405366113472
Energy: 1.1562765289345718
Energy: 1.175237659748539
Energy: 1.156276528933071
Energy: 1.5784405366121153
Energy: 1.1562765289338388
Energy: 1.1571450699575676
Energy: 1.3022637179080254
Energy: 1.1750658501218982
Energy: 1.3022637179080254
Energy: 1.1571450699575676
Energy: 1.3022637179080254
Energy: 1.1574660640308971
Energy: 1.2998736701569023
Energy: 1.3070890776199737
Energy: 1.2998736701569023
Energy: 1.157466064031665
Energy: 1.2998736701569023
Energy: 1.173230201822477
Energy: 1.3310686676857895
Energy: 1.3069139974533313
Energy: 1.3310686676857895
Energy: 1.173230201821709
Energy: 1.3310686676857895
Energy: 1.1619155490978001
Energy: 1.4972152365907196
Energy: 1.2900378803080907
Energy: 1.4972152365907196
Energy: 1.1619155490970323
Energy: 1.4972152365907196
Energy: 1.2899443561428743
Energy: 1.2767822522150916
Energy: 1.2899981992605392
Energy: 1.2767822522158594
Energy: 1.2899443561428743
Energy: 1.2767822522158594
Energy: 1.2897889200695225
Energy: 1.4972067004483622
Energy: 1.1674255172499988
Energy: 1.4972067004475944
Energy: 1.2897889200702906
Energy: 1.4972067004475944
Energy: 1.3067230909918
Energy: 1.3312760874338276
Energy: 1.173037514181903
Energy: 1.3312760874345955
Energy: 1.3067230909918
Energy: 1.3312760874345955
Energy: 1.30684013162794
Energy: 1.2998848793203832
Energy: 1.1574384813947518
Energy: 1.2998848793203832
Energy: 1.3068401316287077
Energy: 1.2998848793211513
Energy: 1.1750347015449711
Energy: 1.3021495737104019
Energy: 1.1570391175687649
Energy: 1.3021495737104019
Energy: 1.175034701544203
Energy: 1.3021495737104019
Energy: 1.1752141912747418
Energy: 1.1563040842450292
Energy: 1.6905581192005594
Energy: 1.1563040842442613
Energy: 1.1752141912747418
Energy: 1.1563040842450292
Energy: 1.1580506732124884
Energy: 1.163623547062392
Energy: 1.6797683066087974
Energy: 1.163623547062392
Energy: 1.1580506732132563
Energy: 1.163623547062392
Energy: 1.1754484687146403
Energy: 1.3131342515625513
Energy: 1.1572970660626274
Energy: 1.3131342515625513
Energy: 1.1754484687146403
Energy: 1.3131342515625513
Energy: 1.3069205315105865
Energy: 1.288605088651754
Energy: 1.1572578177453103
Energy: 1.288605088651754
Energy: 1.3069205315105865
Energy: 1.288605088651754

minimum gb energy = 1.1551668414153955 eV
minimum distance =  2.28514305991934 Angstroms
sigma value = 81


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

Energy: 1.19734505937166
Energy: 1.1982792615340938
Energy: 1.1978071477586878
Energy: 1.1982792615343822
Energy: 1.1973450593713713
Energy: 1.198279261534671
Energy: 1.1984733255576172
Energy: 1.1981364425494145
Energy: 1.1973658606312045
Energy: 1.1981364425494145
Energy: 1.1984733255576172
Energy: 1.1981364425494145
Energy: 1.197364988930801
Energy: 1.198285500285151
Energy: 1.1799456834159194
Energy: 1.198285500285151
Energy: 1.197364988930801
Energy: 1.198285500285151
Energy: 1.1978071477586878
Energy: 1.198279261534671
Energy: 1.19734505937166
Energy: 1.198279261534671
Energy: 1.1978071477583994
Energy: 1.198279261534671
Energy: 1.1973658606312045
Energy: 1.1981364425494145
Energy: 1.1984733255567839
Energy: 1.1981364425494145
Energy: 1.1973658606314932
Energy: 1.1981364425494145
Energy: 1.1984322155932654
Energy: 1.1982855002848625
Energy: 1.1973649889305122
Energy: 1.1982855002845738
Energy: 1.1984322155929767
Energy: 1.1982855002845738
Energy: 1.19734505937166
Energy: 1.198279261534671
Energy: 1.2671433250447395
Energy: 1.1982792615343822
Energy: 1.19734505937166
Energy: 1.1982792615343822
Energy: 1.1984733255550843
Energy: 1.1981364425497032
Energy: 1.1973658606312045
Energy: 1.1981364425497032
Energy: 1.1984733255550843
Energy: 1.1981364425499919
Energy: 1.1973649889305122
Energy: 1.198285500285151
Energy: 1.1984322155935216
Energy: 1.198285500285151
Energy: 1.1973649889305122
Energy: 1.198285500285151
Energy: 1.3683362708468918
Energy: 1.198279261534671
Energy: 1.1973450593719486
Energy: 1.198279261534671
Energy: 1.3683362708477573
Energy: 1.198279261534671

minimum gb energy = 1.1799456834159194 eV
minimum distance =  2.25587231623579 Angstroms
sigma value = 3


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

Energy: 1.6282350558068166
Energy: 1.1592766720466312
Energy: 1.1530968178925207
Energy: 1.159276672045787
Energy: 1.6282350558076608
Energy: 1.1592766720449428
Energy: 1.158404581810114
Energy: 1.1824403951839226
Energy: 1.1277060315009175
Energy: 1.1824403951839226
Energy: 1.1584045818118025
Energy: 1.1824403951839226
Energy: 1.1485248404015778
Energy: 1.1489163588752502
Energy: 1.239675104292222
Energy: 1.148916358876095
Energy: 1.1485248404015778
Energy: 1.148916358876095
Energy: 1.14856255185734
Energy: 1.1328276354579687
Energy: 1.1865193864207164
Energy: 1.1328276354588132
Energy: 1.1485625518564955
Energy: 1.1328276354588132
Energy: 1.1608435497402545
Energy: 1.1591760316049298
Energy: 1.1287846298676545
Energy: 1.1591760316040853
Energy: 1.1608435497402545
Energy: 1.1591760316040853
Energy: 1.3704083448301878
Energy: 1.2227428553603559
Energy: 1.1303292336034696
Energy: 1.2227428553595117
Energy: 1.3704083448293436
Energy: 1.2227428553595117
Energy: 1.1610912222443304
Energy: 1.1593408466863484
Energy: 1.1813137489569798
Energy: 1.1593408466846598
Energy: 1.1610912222443304
Energy: 1.1593408466846598
Energy: 1.1597207650206842
Energy: 1.3580763434914755
Energy: 1.1903085784402005
Energy: 1.35807634349232
Energy: 1.1597207650206842
Energy: 1.358076343493164
Energy: 1.1490620761724613
Energy: 1.1484452885165226
Energy: 1.5820936078066825
Energy: 1.1484452885190555
Energy: 1.149062076171617
Energy: 1.1484452885190555
Energy: 1.1496741639844765
Energy: 1.1833837141805554
Energy: 1.1274755981751785
Energy: 1.183383714182244
Energy: 1.1496741639844765
Energy: 1.183383714182244
Energy: 1.612036560630707
Energy: 1.1269082019362169
Energy: 1.1830527458990663
Energy: 1.1269082019379053
Energy: 1.6120365606315517
Energy: 1.1269082019370613
Energy: 1.614683231810508
Energy: 1.2435087265039715
Energy: 1.1272068673069051
Energy: 1.2435087265039715
Energy: 1.614683231810508
Energy: 1.2435087265039715
Energy: 1.1496793194476278
Energy: 1.2597208896434426
Energy: 1.1276882977304201
Energy: 1.2597208896434426
Energy: 1.1496793194467838
Energy: 1.2597208896434426
Energy: 1.151191122001944
Energy: 1.2559623085286153
Energy: 1.1859154021221723
Energy: 1.2559623085286153
Energy: 1.1511911220011382
Energy: 1.2559623085286153
Energy: 1.1591607174404854
Energy: 1.2486332126040127
Energy: 1.1853658205135438
Energy: 1.248633212604857
Energy: 1.1591607174404854
Energy: 1.248633212604857
Energy: 1.1597087965314112
Energy: 1.1833563182941789
Energy: 1.1281991960419944
Energy: 1.1833563182941789
Energy: 1.1597087965322557
Energy: 1.1833563182941789
Energy: 1.1593825397649677
Energy: 1.1834606251614224
Energy: 1.1283084176797948
Energy: 1.1834606251614224
Energy: 1.1593825397649677
Energy: 1.183460625160578
Energy: 1.1592483274389322
Energy: 1.27896402278991
Energy: 1.1860078413789703
Energy: 1.2789640227907544
Energy: 1.1592483274397765
Energy: 1.2789640227907544
Energy: 1.1492608477714998
Energy: 1.2570778255614699
Energy: 1.185994827970085
Energy: 1.2570778255614699
Energy: 1.1492608477714998
Energy: 1.2570778255614699
Energy: 1.1496793866312307
Energy: 1.184650695768678
Energy: 1.1279620837805329
Energy: 1.184650695768678
Energy: 1.1496793866312307
Energy: 1.184650695768678
Energy: 1.61220816143306
Energy: 1.2421928588516051
Energy: 1.1273344518914699
Energy: 1.242192858850761
Energy: 1.61220816143306
Energy: 1.242192858850761
Energy: 1.610500978424954
Energy: 1.241710799843659
Energy: 1.1830033078761188
Energy: 1.2417107998428147
Energy: 1.6105009784241096
Energy: 1.2417107998428147
Energy: 1.149214036522442
Energy: 1.1836743580689233
Energy: 1.1276693045483244
Energy: 1.1836743580689233
Energy: 1.149214036522442
Energy: 1.1836743580689233
Energy: 1.149021684300395
Energy: 1.1485890516540986
Energy: 1.5931960268039866
Energy: 1.1485890516540986
Energy: 1.149021684300395
Energy: 1.1485890516540986
Energy: 1.1600200612891902
Energy: 1.282168078739049
Energy: 1.1856978567125025
Energy: 1.2821680787382048
Energy: 1.1600200612891902
Energy: 1.2821680787382048
Energy: 1.1633398012767628
Energy: 1.1495135977928632
Energy: 1.2227395428073777
Energy: 1.1495135977937077
Energy: 1.1633398012767628
Energy: 1.149513597794552
Energy: 1.1604446751899167
Energy: 1.1829048605518566
Energy: 1.130250903413705
Energy: 1.182904860550168
Energy: 1.1604446751907609
Energy: 1.182904860550168
Energy: 1.1633949735186921
Energy: 1.2428536203357015
Energy: 1.1302107542595303
Energy: 1.242853620336546
Energy: 1.1633949735186921
Energy: 1.242853620336546
Energy: 1.2590131501088957
Energy: 1.127350130497785
Energy: 1.1881754408244802
Energy: 1.127350130498629
Energy: 1.2590131501080515
Energy: 1.127350130498629
Energy: 1.1492383674768125
Energy: 1.1488859794104116
Energy: 1.3534980573734607
Energy: 1.1488859794078787
Energy: 1.1492383674768125
Energy: 1.1488859794078787
Energy: 1.2208142128913075
Energy: 1.1827451127968065
Energy: 1.129626372902094
Energy: 1.1827451127984951
Energy: 1.220814212896373
Energy: 1.1827451127984951
Energy: 1.609804184960187
Energy: 1.1594354324764897
Energy: 1.1810113478240576
Energy: 1.1594354324756453
Energy: 1.609804184960187
Energy: 1.1594354324764897
Energy: 1.1558853820506045
Energy: 1.1823170341426141
Energy: 1.1270837488957606
Energy: 1.1823170341426141
Energy: 1.15588538204976
Energy: 1.1823170341426141

minimum gb energy = 1.1269082019362169 eV
minimum distance =  2.24405301059992 Angstroms
sigma value = 67


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

Energy: 1.3273938767745073
Energy: 1.1817881181685694
Energy: 1.5396267499329228
Energy: 1.1817881181685694
Energy: 1.3273938767745073
Energy: 1.1817881181685694
Energy: 1.1469304638808384
Energy: 1.102061255002736
Energy: 1.1079591124373187
Energy: 1.102061255002736
Energy: 1.1469304643822684
Energy: 1.1020612550015327
Energy: 1.0904609225322326
Energy: 1.1723391699560624
Energy: 1.0971397880550346
Energy: 1.1723391699560624
Energy: 1.0904609225322326
Energy: 1.1723391699560624
Energy: 1.4843242284061335
Energy: 1.1729715511985357
Energy: 1.2539616319619604
Energy: 1.1729715511997387
Energy: 1.4843242284061335
Energy: 1.1729715511973327
Energy: 1.2531055140297902
Energy: 1.1691352506266517
Energy: 1.1389877784375622
Energy: 1.1691352506266517
Energy: 1.2531055140297902
Energy: 1.1691352506278547
Energy: 1.2536566234424975
Energy: 1.1010058559249716
Energy: 1.091963954684216
Energy: 1.1010058559249716
Energy: 1.2536566234437003
Energy: 1.1010058559237683
Energy: 1.0965489122852772
Energy: 1.1008209095055936
Energy: 1.1018304716029947
Energy: 1.1008209095055936
Energy: 1.0965489122852772
Energy: 1.1008209095055936
Energy: 1.2512946264955391
Energy: 1.4373423034037789
Energy: 1.656788964757533
Energy: 1.4373423034025758
Energy: 1.2512946264955391
Energy: 1.4373423034037789
Energy: 1.2547856075038155
Energy: 1.1015442884061295
Energy: 1.646732141282468
Energy: 1.1015442884049267
Energy: 1.2547856075038155
Energy: 1.1015442884049267
Energy: 1.2527993390379781
Energy: 1.101375058345893
Energy: 1.105356525734754
Energy: 1.101375058345893
Energy: 1.2527993390379781
Energy: 1.1013750583470963
Energy: 1.2573736910154005
Energy: 1.1017173906999027
Energy: 1.1036413937448244
Energy: 1.1017173906974969
Energy: 1.2573736910154005
Energy: 1.1017173906974969
Energy: 1.2527398940218648
Energy: 1.1655034448704613
Energy: 1.253191053918436
Energy: 1.1655034448704613
Energy: 1.2527398940218648
Energy: 1.1655034448704613
Energy: 1.1031365215370095
Energy: 1.102478412351476
Energy: 1.257354150654595
Energy: 1.102478412351476
Energy: 1.1031365215358067
Energy: 1.102478412351476
Energy: 1.1078060012496687
Energy: 1.10580551168295
Energy: 1.2528504469176724
Energy: 1.105805511681747
Energy: 1.1078060012496687
Energy: 1.105805511681747
Energy: 1.3171775300489266
Energy: 1.300890482732448
Energy: 1.2549392322124204
Energy: 1.300890482732448
Energy: 1.3171775301655626
Energy: 1.300890482732448
Energy: 1.3387890339860016
Energy: 1.3271078166489985
Energy: 1.2509797111149512
Energy: 1.3271078166489985
Energy: 1.3387890339414905
Energy: 1.3271078166477952
Energy: 1.1025025921094993
Energy: 1.1007546212730994
Energy: 1.2512070241001445
Energy: 1.1007546212730994
Energy: 1.1025025921107021
Energy: 1.1007546212730994
Energy: 1.0944102598308487
Energy: 1.1011059408801753
Energy: 1.2534808592070443
Energy: 1.1011059408825814
Energy: 1.0944102598308487
Energy: 1.1011059408813784
Energy: 1.138432338121275
Energy: 1.1816542631258262
Energy: 1.252881221551548
Energy: 1.1816542631258262
Energy: 1.1384323381224781
Energy: 1.1816542631258262
Energy: 1.2543414512895148
Energy: 1.1027733811981406
Energy: 1.3404362825518867
Energy: 1.1027733811981406
Energy: 1.2543414512895148
Energy: 1.1027733811981406
Energy: 1.2475681760968005
Energy: 1.136663608404333
Energy: 1.1020455850441815
Energy: 1.1366636084031296
Energy: 1.2475681761064248
Energy: 1.1366636084031296
Energy: 1.1096260482823233
Energy: 1.1019869698153169
Energy: 1.3211878966722086
Energy: 1.1019869698177227
Energy: 1.1096260482823233
Energy: 1.10198696981652
Energy: 1.3599926542882521
Energy: 1.0911139220656147
Energy: 1.1486839810045675
Energy: 1.0911139220668178
Energy: 1.3599926542882521
Energy: 1.0911139220680206

minimum gb energy = 1.0904609225322326 eV
minimum distance =  2.27228370076414 Angstroms
sigma value = 33


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

Energy: 1.4334471520372265
Energy: 1.0677363251805776
Energy: 1.5398340561182324
Energy: 1.0677363251813405
Energy: 1.4334471520372265
Energy: 1.0677363251805776
Energy: 1.4927163176206362
Energy: 1.0490122676788867
Energy: 1.0275482313878472
Energy: 1.0490122676773606
Energy: 1.492716317619873
Energy: 1.0490122676781235
Energy: 1.0315430987025664
Energy: 1.1093842786489645
Energy: 1.4913123172277405
Energy: 1.1093842786489645
Energy: 1.0315430987033298
Energy: 1.1093842786489645
Energy: 1.10903300008458
Energy: 1.0279307478391377
Energy: 1.0436418974004236
Energy: 1.0279307478391377
Energy: 1.10903300008458
Energy: 1.0279307478391377
Energy: 1.3729499044593179
Energy: 1.028412864321955
Energy: 1.3569597292225533
Energy: 1.0284128643242445
Energy: 1.3729499044593179
Energy: 1.0284128643234816
Energy: 1.3687744565953184
Energy: 1.2595705057052387
Energy: 1.0346036322278038
Energy: 1.2595705057060018
Energy: 1.368774456594555
Energy: 1.2595705057060018
Energy: 1.0322599559445578
Energy: 1.0490918671380165
Energy: 1.0563073645397487
Energy: 1.0490918671387797
Energy: 1.0322599559445578
Energy: 1.0490918671387797
Energy: 1.051022759063799
Energy: 1.0278407511657959
Energy: 1.3697840701527904
Energy: 1.0278407511650327
Energy: 1.051022759064562
Energy: 1.0278407511650327
Energy: 1.358306292003852
Energy: 1.2824914747233804
Energy: 1.3708986327807562
Energy: 1.2824914747241436
Energy: 1.358306292003852
Energy: 1.2824914747241436
Energy: 1.0465056275413633
Energy: 1.0467182320910764
Energy: 1.034539777629647
Energy: 1.0467182320910764
Energy: 1.0465056275413633
Energy: 1.0467182320910764
Energy: 1.034931453304481
Energy: 1.0504198066723882
Energy: 1.0534642998064931
Energy: 1.0504198066716253
Energy: 1.034931453304481
Energy: 1.0504198066716253
Energy: 1.0309490522776903
Energy: 1.1091393535607728
Energy: 1.4940082460809914
Energy: 1.1091393535607728
Energy: 1.0309490522776903
Energy: 1.1091393535607728
Energy: 1.3793819579520077
Energy: 1.3610409107234647
Energy: 1.417435451792755
Energy: 1.3610409107242276
Energy: 1.3793819579512445
Energy: 1.3610409107242276
Energy: 1.0278856049244678
Energy: 1.04994480636602
Energy: 1.0359616581408062
Energy: 1.0499448063652568
Energy: 1.0278856049244678
Energy: 1.04994480636602
Energy: 1.3572143624864372
Energy: 1.1091025915862445
Energy: 1.0284060233487817
Energy: 1.1091025915862445
Energy: 1.3572143624872004
Energy: 1.1091025915862445
Energy: 1.043211845829643
Energy: 1.0279777611440142
Energy: 1.5000273127883499
Energy: 1.0279777611440142
Energy: 1.043211845829643
Energy: 1.0279777611440142
Energy: 1.5427628525566988
Energy: 1.0518738246248445
Energy: 1.3892348289436574
Energy: 1.0518738246248445
Energy: 1.5427628525566988
Energy: 1.0518738246256076
Energy: 1.0292674819869678
Energy: 1.0487549033886148
Energy: 1.289517296900349
Energy: 1.0487549033893784
Energy: 1.0292674819869678
Energy: 1.0487549033893784
Energy: 1.2746288757293254
Energy: 1.0486735685488553
Energy: 1.028567069216651
Energy: 1.0486735685480923
Energy: 1.2746288757293254
Energy: 1.0486735685480923
Energy: 1.3684448199185661
Energy: 1.0286880807076237
Energy: 1.051216969380365
Energy: 1.0286880807083867
Energy: 1.368444819919329
Energy: 1.0286880807083867
Energy: 1.5145426217626747
Energy: 1.2766177854609917
Energy: 1.0444126371835518
Energy: 1.2766177854602285
Energy: 1.5145426217626747
Energy: 1.276617785461755
Energy: 1.0296456216585677
Energy: 1.0495176742360333
Energy: 1.3568180139915138
Energy: 1.0495176742360333
Energy: 1.0296456216585677
Energy: 1.0495176742360333
Energy: 1.057101513360202
Energy: 1.0503966285781374
Energy: 1.029086349294157
Energy: 1.0503966285781374
Energy: 1.057101513360202
Energy: 1.0503966285789006
Energy: 1.4152141082000531
Energy: 1.1098453060294602
Energy: 1.0281576925750777
Energy: 1.1098453060279339
Energy: 1.4152141081992897
Energy: 1.1098453060279339
Energy: 1.493775760435343
Energy: 1.1080606988639246
Energy: 1.0346821444275605
Energy: 1.1080606988639246
Energy: 1.4937757604376325
Energy: 1.1080606988639246
Energy: 1.0554242172806856
Energy: 1.384245680640332
Energy: 1.031517489843831
Energy: 1.384245680641095
Energy: 1.055424217281449
Energy: 1.384245680641095
Energy: 1.0318390704062381
Energy: 1.0497797325580533
Energy: 1.3586171256016608
Energy: 1.0497797325580533
Energy: 1.0318390704062381
Energy: 1.0497797325580533
Energy: 1.3686315160951525
Energy: 1.2711427725226907
Energy: 1.0465030254106273
Energy: 1.2711427725226907
Energy: 1.3686315160951525
Energy: 1.2711427725226907
Energy: 1.3731806312410377
Energy: 1.0280501831770326
Energy: 1.049900323596104
Energy: 1.0280501831770326
Energy: 1.3731806312402746
Energy: 1.0280501831770326
Energy: 1.0511259470169705
Energy: 1.04876113498939
Energy: 1.0295921092670615
Energy: 1.04876113498939
Energy: 1.0511259470177339
Energy: 1.04876113498939
Energy: 1.0315158583254445
Energy: 1.2593386728766878
Energy: 1.0283322122124636
Energy: 1.2593386728766878
Energy: 1.0315158583262076
Energy: 1.2593386728766878
Energy: 1.3574542173710429
Energy: 1.05188859076323
Energy: 1.3683640391202032
Energy: 1.0518885907639932
Energy: 1.3574542173710429
Energy: 1.05188859076323
Energy: 1.043402833089474
Energy: 1.213951507284289
Energy: 1.215584888833328
Energy: 1.213951507284289
Energy: 1.043402833089474
Energy: 1.213951507284289
Energy: 1.2891474875577698
Energy: 1.108858185505221
Energy: 1.029048836252645
Energy: 1.108858185505221
Energy: 1.2891474875562434
Energy: 1.108858185505221
Energy: 1.0275053807473629
Energy: 1.0489867836216764
Energy: 1.2833204105666174
Energy: 1.0489867836216764
Energy: 1.0275053807473629
Energy: 1.0489867836216764
Energy: 1.3796911249463826
Energy: 1.0678060239481635
Energy: 1.4126765186643448
Energy: 1.0678060239481635
Energy: 1.3796911249463826
Energy: 1.0678060239481635
Energy: 1.028486594262439
Energy: 1.1097604839223705
Energy: 1.4933518311398297
Energy: 1.1097604839208441
Energy: 1.028486594262439
Energy: 1.1097604839208441

minimum gb energy = 1.0275053807473629 eV
minimum distance =  2.26983183608724 Angstroms
sigma value = 41


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

Energy: 0.8898620716651304
Energy: 0.8642630146399016
Energy: 1.5141066563453607
Energy: 0.8642630146399016
Energy: 0.8898620716651304
Energy: 0.8642630146399016
Energy: 1.5231267230924683
Energy: 0.862905897551848
Energy: 0.8643809021208936
Energy: 0.862905897551848
Energy: 1.5231267230924683
Energy: 0.862905897551848
Energy: 0.8902330919093717
Energy: 1.0972105343599716
Energy: 1.155353806044638
Energy: 1.0972105343599716
Energy: 0.8902330919093717
Energy: 1.0972105343599716
Energy: 1.580880209490116
Energy: 0.8631392890900988
Energy: 0.8644698833281922
Energy: 0.8631392890900988
Energy: 1.5808802094880323
Energy: 0.8631392890880153
Energy: 0.8902075483720762
Energy: 0.86300145828717
Energy: 0.8658087842667601
Energy: 0.86300145828717
Energy: 0.8902075483720762
Energy: 0.86300145828717
Energy: 0.8902342198493154
Energy: 0.9062218508008331
Energy: 0.8648958445809909
Energy: 0.9062218508008331
Energy: 0.8902342198493154
Energy: 0.9062218508008331
Energy: 1.5787147201071654
Energy: 0.8632265867246997
Energy: 0.865127893981814
Energy: 0.8632265867246997
Energy: 1.5787147199238993
Energy: 0.8632265867246997
Energy: 0.8885866381565437
Energy: 0.8634433966880578
Energy: 0.8656861042522337
Energy: 0.8634433966880578
Energy: 0.8885866381565437
Energy: 0.8634433966880578
Energy: 1.5084807229042794
Energy: 0.9059748403768105
Energy: 0.8646882888963489
Energy: 0.9059748403768105
Energy: 1.5084807229042794
Energy: 0.9059748403768105
Energy: 0.8902416780258252
Energy: 0.8633667703706632
Energy: 0.8667978799224202
Energy: 0.8633667703706632
Energy: 0.8902416780258252
Energy: 0.8633667703706632
Energy: 1.5154992934230493
Energy: 0.8631777608824602
Energy: 0.8645939084397781
Energy: 0.8631777608824602
Energy: 1.5154992934230493
Energy: 0.8631777608824602
Energy: 0.8903231973014553
Energy: 1.0969370169645654
Energy: 1.4915693757988047
Energy: 1.0969370169666492
Energy: 0.8903231972993717
Energy: 1.0969370169666492
Energy: 1.5155008370930787
Energy: 0.863192058662794
Energy: 0.8645882923019913
Energy: 0.863192058662794
Energy: 1.5155008370930787
Energy: 0.863192058662794
Energy: 0.8902333117073684
Energy: 0.8632510587180517
Energy: 0.8667994916683355
Energy: 0.8632510587180517
Energy: 0.8902333117073684
Energy: 0.8632510587180517

minimum gb energy = 0.862905897551848 eV
minimum distance =  2.35510875506945 Angstroms
sigma value = 11


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

Energy: 1.5116847664233897
Energy: 1.1887980943998893
Energy: 1.3226093978606954
Energy: 1.1887980943998893
Energy: 1.5116847664233897
Energy: 1.1887980943998893
Energy: 1.1256216615511807
Energy: 1.1513618078819574
Energy: 1.1245712979635272
Energy: 1.1513618078773806
Energy: 1.1256216615511807
Energy: 1.1513618078764654
Energy: 1.1250542675719502
Energy: 1.2283365857153519
Energy: 1.1249638289457895
Energy: 1.2283365857153519
Energy: 1.1250542675719502
Energy: 1.2283365857153519
Energy: 1.15082381546986
Energy: 1.1513707276271232
Energy: 1.1245806223844885
Energy: 1.1513707276280387
Energy: 1.15082381546986
Energy: 1.1513707276280387
Energy: 1.1246823044201355
Energy: 1.2232591912139696
Energy: 1.1508011557446507
Energy: 1.2232591912158004
Energy: 1.1246823044210505
Energy: 1.223259191214885
Energy: 1.1584418689624183
Energy: 1.2119842127767426
Energy: 1.1246598783537705
Energy: 1.2119842127767426
Energy: 1.1584418689624183
Energy: 1.2119842127767426
Energy: 1.1509154583253622
Energy: 1.2242177733655015
Energy: 1.1546765680640887
Energy: 1.224217773364586
Energy: 1.1509154583253622
Energy: 1.2242177733655015
Energy: 1.1259810282856664
Energy: 1.1523504562506217
Energy: 1.1248178901870098
Energy: 1.1523504562506217
Energy: 1.1259810282856664
Energy: 1.1523504562515372
Energy: 1.125643058655002
Energy: 1.23636404204143
Energy: 1.1243268790503111
Energy: 1.23636404204143
Energy: 1.125643058655002
Energy: 1.23636404204143
Energy: 1.1242809297640532
Energy: 1.151300806539263
Energy: 1.1511972430384123
Energy: 1.1513008065401573
Energy: 1.1242809297640532
Energy: 1.1513008065410728
Energy: 1.15286121099011
Energy: 1.1246801363313923
Energy: 1.1555891009049857
Energy: 1.1246801363313923
Energy: 1.15286121099011
Energy: 1.124680136330477
Energy: 1.1259204556312319
Energy: 1.2121269863496025
Energy: 1.1553890657866008
Energy: 1.212126986350518
Energy: 1.1259204556312319
Energy: 1.2121269863496025
Energy: 1.1248097371327384
Energy: 1.151268748650208
Energy: 1.1395428819900333
Energy: 1.151268748650208
Energy: 1.1248097371336534
Energy: 1.151268748650208
Energy: 1.1519477617338951
Energy: 1.2382831788127597
Energy: 1.1519082468164776
Energy: 1.2382831788127597
Energy: 1.1519477617338951
Energy: 1.2382831788127597
Energy: 1.1244974552351366
Energy: 1.4673822982900984
Energy: 1.1271047199882442
Energy: 1.4673822982900984
Energy: 1.1244974552351366
Energy: 1.4673822982900984
Energy: 1.153972407642063
Energy: 1.1292999879972416
Energy: 1.1547254297314744
Energy: 1.129299987998157
Energy: 1.153972407642063
Energy: 1.1292999879972416
Energy: 1.1547490275076155
Energy: 1.2223692242936715
Energy: 1.1251617162778509
Energy: 1.2223692242936715
Energy: 1.1547490275076155
Energy: 1.2223692242936715
Energy: 1.1244751068540941
Energy: 1.467571689602647
Energy: 1.1241977575432105
Energy: 1.467571689602647
Energy: 1.1244751068540941
Energy: 1.467571689602647
Energy: 1.1510846376860924
Energy: 1.1514300634338768
Energy: 1.1513412530993903
Energy: 1.1514300634338768
Energy: 1.1510846376860924
Energy: 1.1514300634338768
Energy: 1.1245457883152248
Energy: 1.1513601342872666
Energy: 1.1270708817819235
Energy: 1.1513601342872666
Energy: 1.1245457883152248
Energy: 1.1513601342872666
Energy: 1.1555187739125672
Energy: 1.2118799241038467
Energy: 1.1251563548689405
Energy: 1.2118799241038467
Energy: 1.1555187739125672
Energy: 1.2118799241029312
Energy: 1.1554400015450235
Energy: 1.1250452257314232
Energy: 1.1519058482519275
Energy: 1.1250452257305081
Energy: 1.1554400015450235
Energy: 1.1250452257314232
Energy: 1.1529207582586352
Energy: 1.1512395820859738
Energy: 1.160493988722245
Energy: 1.1512395820859738
Energy: 1.15292075825772
Energy: 1.1512395820859738
Energy: 1.124448677793937
Energy: 1.2363517099506915
Energy: 1.1250516198650766
Energy: 1.2363517099506915
Energy: 1.124448677793937
Energy: 1.2363517099506915
Energy: 1.1272410770710048
Energy: 1.1887216407026049
Energy: 1.12495056821514
Energy: 1.1887216407026049
Energy: 1.1272410770710048
Energy: 1.1887216407026049
Energy: 1.1548610104442492
Energy: 1.2229110367957983
Energy: 1.1508604162010136
Energy: 1.2229110367957983
Energy: 1.1548610104433341
Energy: 1.2229110367957983
Energy: 1.1247493598928708
Energy: 1.212316762295359
Energy: 1.1246361821196302
Energy: 1.212316762295359
Energy: 1.1247493598928708
Energy: 1.212316762295359
Energy: 1.1508735453859424
Energy: 1.2228027042845764
Energy: 1.1587113444809982
Energy: 1.2228027042845764
Energy: 1.1508735453859424
Energy: 1.2228027042854919
Energy: 1.125093915436747
Energy: 1.1521351239500572
Energy: 1.1508830626935262
Energy: 1.1521351239500572
Energy: 1.125093915436747
Energy: 1.1521351239500572
Energy: 1.1244618549772722
Energy: 1.1520683938556913
Energy: 1.1261920080158732
Energy: 1.1520683938556913
Energy: 1.1244618549772722
Energy: 1.1520683938556913
Energy: 1.1243879874788467
Energy: 1.1512159781166318
Energy: 1.126132945724387
Energy: 1.1512159781175473
Energy: 1.124387987479762
Energy: 1.1512159781157163

minimum gb energy = 1.1241977575432105 eV
minimum distance =  2.24452170303891 Angstroms
sigma value = 57


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

Energy: 1.263307308625183
Energy: 1.263431751359852
Energy: 1.283269646632115
Energy: 1.263431751359852
Energy: 1.263307308625183
Energy: 1.263431751359852
Energy: 1.2086556171862448
Energy: 1.2593236976707476
Energy: 1.2081003314841807
Energy: 1.2593236976723765
Energy: 1.2086556171878735
Energy: 1.2593236976723765
Energy: 1.2025438055148263
Energy: 1.3309042536625908
Energy: 1.2081057411597234
Energy: 1.3309042536625908
Energy: 1.2025438055148263
Energy: 1.3309042536625908
Energy: 1.2084037133274945
Energy: 1.3273989705643252
Energy: 1.2084161383426806
Energy: 1.3273989705643252
Energy: 1.2084037133274945
Energy: 1.3273989705643252
Energy: 1.2081179465373304
Energy: 1.330881733106661
Energy: 1.2022807532782531
Energy: 1.330881733106661
Energy: 1.2081179465389593
Energy: 1.330881733106661
Energy: 1.208057027860231
Energy: 1.209439233397215
Energy: 1.2086862412745334
Energy: 1.209439233397215
Energy: 1.208057027860231
Energy: 1.209439233397215
Energy: 1.283269646632115
Energy: 1.263431751359852
Energy: 1.263307308625183
Energy: 1.263431751359852
Energy: 1.283269646632115
Energy: 1.263431751359852
Energy: 1.2081003314841807
Energy: 1.2593236976707476
Energy: 1.2086556171862448
Energy: 1.2593236976707476
Energy: 1.2081003314841807
Energy: 1.2593236976707476
Energy: 1.2081057411597234
Energy: 1.3309042536625908
Energy: 1.2025438055148263
Energy: 1.3309042536625908
Energy: 1.2081057411597234
Energy: 1.3309042536625908
Energy: 1.2084161383426806
Energy: 1.3273989705643252
Energy: 1.2084037133258656
Energy: 1.3273989705643252
Energy: 1.2084161383426806
Energy: 1.3273989705643252
Energy: 1.2022807532782531
Energy: 1.330881733106661
Energy: 1.2081179465389593
Energy: 1.330881733106661
Energy: 1.2022807532782531
Energy: 1.330881733106661
Energy: 1.208686241276162
Energy: 1.2094392333955861
Energy: 1.208057027860231
Energy: 1.2094392333955861
Energy: 1.208686241276162
Energy: 1.2094392333955861
Energy: 1.263307308625183
Energy: 1.263431751359852
Energy: 1.3634404737563448
Energy: 1.263431751361481
Energy: 1.263307308625183
Energy: 1.263431751359852
Energy: 1.2086556171862448
Energy: 1.2593236976723765
Energy: 1.2081003314841807
Energy: 1.2593236976707476
Energy: 1.2086556171862448
Energy: 1.209357808779325
Energy: 1.2025438055148263
Energy: 1.3309042536625908
Energy: 1.2081057411597234
Energy: 1.3309042536625908
Energy: 1.2025438055148263
Energy: 1.3309042536625908
Energy: 1.2084037133274945
Energy: 1.3273989705626967
Energy: 1.2084161383426806
Energy: 1.3273989705643252
Energy: 1.2084037133274945
Energy: 1.3273989705643252
Energy: 1.2081179465389593
Energy: 1.330881733106661
Energy: 1.2022807532782531
Energy: 1.330881733106661
Energy: 1.2081179465389593
Energy: 1.330881733106661

minimum gb energy = 1.2022807532782531 eV
minimum distance =  2.25789964109839 Angstroms
sigma value = 9


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

Energy: 1.4220576062400634
Energy: 1.3431131134203358
Energy: 1.3742405660795491
Energy: 1.3431131134203358
Energy: 1.4220576062400634
Energy: 1.3431131134203358
Energy: 1.3178702900149077
Energy: 1.349042991246605
Energy: 1.3372722195347735
Energy: 1.3490429912479351
Energy: 1.3178702900149077
Energy: 1.3490429912479351
Energy: 1.3267041174331025
Energy: 1.336999746132364
Energy: 1.336716111425282
Energy: 1.336999746133694
Energy: 1.3267041174331025
Energy: 1.336999746133694
Energy: 1.3261667140308329
Energy: 1.3315339271233355
Energy: 1.3127690785937516
Energy: 1.3315339271220055
Energy: 1.3261667140308329
Energy: 1.3315339271233355
Energy: 1.2775832762566615
Energy: 1.443705223087429
Energy: 1.3070797342358709
Energy: 1.443705223086099
Energy: 1.2775832762566615
Energy: 1.443705223087429
Energy: 1.3259789358649698
Energy: 1.326980678511785
Energy: 1.3369879370361144
Energy: 1.326980678510455
Energy: 1.3259789358649698
Energy: 1.326980678510455
Energy: 1.32637559504063
Energy: 1.4775616721243032
Energy: 1.3377947562336385
Energy: 1.477561672125633
Energy: 1.32637559504063
Energy: 1.477561672125633
Energy: 1.2946730594039366
Energy: 1.3867282578097897
Energy: 1.337861236740299
Energy: 1.3867282578097897
Energy: 1.2946730594039366
Energy: 1.3867282578097897
Energy: 1.2921348627603912
Energy: 1.4583942724717192
Energy: 1.3169183442518753
Energy: 1.4583942724717192
Energy: 1.2921348627603912
Energy: 1.4583942724717192
Energy: 1.3442353335182045
Energy: 1.4777017453089087
Energy: 1.3365989965445817
Energy: 1.4777017453089087
Energy: 1.3442353335182045
Energy: 1.4777017453089087
Energy: 1.325639626675617
Energy: 1.4065131768066217
Energy: 1.3207867785228957
Energy: 1.4065131768066217
Energy: 1.325639626675617
Energy: 1.4065131768066217
Energy: 1.3269920107836743
Energy: 1.3264643406938557
Energy: 1.3125726575935306
Energy: 1.3264643406938557
Energy: 1.3269920107836743
Energy: 1.3264643406938557
Energy: 1.3253678008004248
Energy: 1.4301995666997696
Energy: 1.3096177280046981
Energy: 1.4301995666997696
Energy: 1.3253678008004248
Energy: 1.4301995666997696
Energy: 1.3269893319851005
Energy: 1.3261700936665726
Energy: 1.316560777312046
Energy: 1.3261700936679024
Energy: 1.3269893319851005
Energy: 1.3261700936679024
Energy: 1.360556737727217
Energy: 1.4767845868040614
Energy: 1.3604125685218953
Energy: 1.4767845868027316
Energy: 1.360556737727217
Energy: 1.4767845868027316
Energy: 1.3357241327315716
Energy: 1.3775042686989296
Energy: 1.3174604763025328
Energy: 1.3775042686989296
Energy: 1.3357241327315716
Energy: 1.3775042686989296
Energy: 1.3365242017972248
Energy: 1.3946767783878722
Energy: 1.312764151976567
Energy: 1.3946767783878722
Energy: 1.3365242017972248
Energy: 1.3946767783878722
Energy: 1.3696782333191604
Energy: 1.326635077356394
Energy: 1.3366344751024852
Energy: 1.326635077356394
Energy: 1.3696782333178308
Energy: 1.326635077356394
Energy: 1.3265355540523645
Energy: 1.3273331164183058
Energy: 1.3107030133917408
Energy: 1.3273331164183058
Energy: 1.3265355540536943
Energy: 1.3273331164183058
Energy: 1.32666264362452
Energy: 1.3739347671741833
Energy: 1.305494982380247
Energy: 1.3739347671728535
Energy: 1.32666264362452
Energy: 1.3739347671728535
Energy: 1.3263862372445865
Energy: 1.3878563554725356
Energy: 1.3147020944190306
Energy: 1.3878563554725356
Energy: 1.3263862372445865
Energy: 1.3878563554725356

minimum gb energy = 1.2775832762566615 eV
minimum distance =  2.26087932092962 Angstroms
sigma value = 27


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

Energy: 1.4251354104714782
Energy: 1.2817216811634133
Energy: 1.3294913695006072
Energy: 1.2817216811645344
Energy: 1.4251354104714782
Energy: 1.2817216811645344
Energy: 1.2667376239421653
Energy: 1.265507715933126
Energy: 1.2665626187868952
Energy: 1.265507715933126
Energy: 1.2667376239421653
Energy: 1.265507715933126
Energy: 1.27968559778149
Energy: 1.2802770550851699
Energy: 1.267563669522923
Energy: 1.2802770550851699
Energy: 1.279685597780369
Energy: 1.2802770550851699
Energy: 1.2688901806885833
Energy: 1.4383403782414956
Energy: 1.3069078933180156
Energy: 1.4383403782414956
Energy: 1.2688901806885833
Energy: 1.4383403782403745
Energy: 1.2676801473499237
Energy: 1.5116570415097144
Energy: 1.2670765009890586
Energy: 1.511657041508593
Energy: 1.2676801473499237
Energy: 1.511657041508593
Energy: 1.2829183219988842
Energy: 1.2801396701866923
Energy: 1.2812372693944274
Energy: 1.2801396701866923
Energy: 1.2829183219988842
Energy: 1.2801396701866923
Energy: 1.2690960052044395
Energy: 1.4460568318661173
Energy: 1.2666716744164999
Energy: 1.4460568318661173
Energy: 1.2690960052044395
Energy: 1.4460568318661173
Energy: 1.2663239833489528
Energy: 1.3838899626117096
Energy: 1.2669869661264719
Energy: 1.3838899626105887
Energy: 1.2663239833489528
Energy: 1.3838899626105887
Energy: 1.3726829909115608
Energy: 1.430435691137314
Energy: 1.3465586307732345
Energy: 1.4304356911384348
Energy: 1.3726829909115608
Energy: 1.430435691137314
Energy: 1.266148409377327
Energy: 1.2679865892989133
Energy: 1.3143431632646119
Energy: 1.2679865892989133
Energy: 1.266148409377327
Energy: 1.2679865892989133
Energy: 1.2661388017779722
Energy: 1.2682881578618792
Energy: 1.3141564593674986
Energy: 1.2682881578618792
Energy: 1.2661388017779722
Energy: 1.2682881578618792
Energy: 1.3726347565643513
Energy: 1.430428488065804
Energy: 1.3465477454765198
Energy: 1.430428488065804
Energy: 1.3726347565643513
Energy: 1.430428488065804
Energy: 1.2662863270022142
Energy: 1.384076815514407
Energy: 1.266694880250431
Energy: 1.3840768155155279
Energy: 1.2662863270022142
Energy: 1.384076815514407
Energy: 1.2688364607519687
Energy: 1.445891684290787
Energy: 1.2663300601793748
Energy: 1.445891684290787
Energy: 1.2688364607519687
Energy: 1.445891684290787
Energy: 1.283088704924198
Energy: 1.2801045466609622
Energy: 1.281486277177252
Energy: 1.2801045466609622
Energy: 1.283088704924198
Energy: 1.2801045466609622
Energy: 1.2676880009390972
Energy: 1.511657041508593
Energy: 1.267326209362956
Energy: 1.511657041508593
Energy: 1.2676880009390972
Energy: 1.511657041508593
Energy: 1.2691067409486965
Energy: 1.4383457467220921
Energy: 1.267076688071744
Energy: 1.4383457467220921
Energy: 1.2691067409486965
Energy: 1.4383457467220921
Energy: 1.2797201327712444
Energy: 1.280551556026792
Energy: 1.2677438208919234
Energy: 1.280551556026792
Energy: 1.2797201327712444
Energy: 1.280551556026792
Energy: 1.267455200600565
Energy: 1.2653769836636666
Energy: 1.2672620630939209
Energy: 1.2653769836636666
Energy: 1.267455200600565
Energy: 1.2653769836636666
Energy: 1.4251354104714782
Energy: 1.2817216811645344
Energy: 1.3746581641577245
Energy: 1.2817216811634133
Energy: 1.4251354104714782
Energy: 1.2817216811645344
Energy: 1.2667376239421653
Energy: 1.265507715930884
Energy: 1.2665626187868952
Energy: 1.265507715933126
Energy: 1.2667376239421653
Energy: 1.265507715933126
Energy: 1.27968559778149
Energy: 1.2802770550851699
Energy: 1.267563669522923
Energy: 1.2802770550851699
Energy: 1.279685597780369
Energy: 1.2802770550840488
Energy: 1.2688901806885833
Energy: 1.4383403782403745
Energy: 1.280329543459092
Energy: 1.4383403782414956
Energy: 1.2688901806885833
Energy: 1.4383403782414956
Energy: 1.2676801473499237
Energy: 1.5116570415097144
Energy: 1.2670765009890586
Energy: 1.511657041508593
Energy: 1.2676801473499237
Energy: 1.511657041508593
Energy: 1.2829183219988842
Energy: 1.2801396701866923
Energy: 1.2812372693955483
Energy: 1.2801396701855712
Energy: 1.2829183219988842
Energy: 1.2801396701855712

minimum gb energy = 1.2653769836636666 eV
minimum distance =  2.28165825980685 Angstroms
sigma value = 19


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

Energy: 1.4065532667748293
Energy: 1.2427051604069839
Energy: 1.3931866368243693
Energy: 1.2427051604079518
Energy: 1.4065532667748293
Energy: 1.2427051604079518
Energy: 1.251479986880142
Energy: 1.3845302559540151
Energy: 1.2264716301699732
Energy: 1.3845302559530475
Energy: 1.251479986880142
Energy: 1.3845302559540151
Energy: 1.2436807554206704
Energy: 1.4204576468194268
Energy: 1.226654231873734
Energy: 1.4204576468194268
Energy: 1.2436807554206704
Energy: 1.4204576468194268
Energy: 1.2515103817703417
Energy: 1.4498285429208007
Energy: 1.2745828155252894
Energy: 1.449828542919833
Energy: 1.2515103817703417
Energy: 1.449828542919833
Energy: 1.2514812909653503
Energy: 1.366918651983945
Energy: 1.2819765597824748
Energy: 1.366918651982977
Energy: 1.2514812909653503
Energy: 1.366918651982977
Energy: 1.2455519873604954
Energy: 1.3938779995945945
Energy: 1.2793554872943176
Energy: 1.39387799959554
Energy: 1.2455519873604954
Energy: 1.39387799959554
Energy: 1.2518949900839382
Energy: 1.4645490852484742
Energy: 1.2809379058553696
Energy: 1.4645490852484742
Energy: 1.2518949900839382
Energy: 1.4645490852484742
Energy: 1.2622272265779988
Energy: 1.3937126328885128
Energy: 1.2793277093349729
Energy: 1.3937126328875453
Energy: 1.2622272265779988
Energy: 1.3937126328875453
Energy: 1.2516361502023508
Energy: 1.43082321266489
Energy: 1.284848453530904
Energy: 1.43082321266489
Energy: 1.2516361502023508
Energy: 1.43082321266489
Energy: 1.2715307555672182
Energy: 1.3230584546646609
Energy: 1.2263180565899434
Energy: 1.3230584546646609
Energy: 1.2715307555672182
Energy: 1.3230584546646609
Energy: 1.2622838422861755
Energy: 1.4212381661948104
Energy: 1.2647726418332144
Energy: 1.421238166195778
Energy: 1.2622838422861755
Energy: 1.421238166195778
Energy: 1.2668202923084448
Energy: 1.2283820702458688
Energy: 1.2278416468860238
Energy: 1.2283820702458688
Energy: 1.2668202923084448
Energy: 1.2283820702458688
Energy: 1.2666360828002823
Energy: 1.3317714762424064
Energy: 1.2276716971953119
Energy: 1.3317714762424064
Energy: 1.2666360828002823
Energy: 1.3317714762424064
Energy: 1.245024474675105
Energy: 1.420545267787032
Energy: 1.2915747745535167
Energy: 1.4205452677860646
Energy: 1.245024474675105
Energy: 1.4205452677860646
Energy: 1.273335297622022
Energy: 1.430987528883565
Energy: 1.2266613800679957
Energy: 1.430987528882597
Energy: 1.273335297622022
Energy: 1.430987528882597
Energy: 1.2714572209421144
Energy: 1.393358251135981
Energy: 1.228655614731059
Energy: 1.393358251135981
Energy: 1.2714572209421144
Energy: 1.393358251135981
Energy: 1.2428153739644043
Energy: 1.393210659476154
Energy: 1.2281845649163443
Energy: 1.393210659476154
Energy: 1.2428153739644043
Energy: 1.393210659476154
Energy: 1.2715769298585162
Energy: 1.3186540675239393
Energy: 1.2265627654116922
Energy: 1.3186540675229717
Energy: 1.2715769298585162
Energy: 1.3186540675229717
Energy: 1.2428337208404265
Energy: 1.3932213315552358
Energy: 1.2281672120871998
Energy: 1.3932213315552358
Energy: 1.2428337208404265
Energy: 1.3932213315562034
Energy: 1.271539869219446
Energy: 1.393365446236491
Energy: 1.2286465844265264
Energy: 1.393365446236491
Energy: 1.271539869219446
Energy: 1.393365446236491
Energy: 1.2733260892577436
Energy: 1.4310124688702126
Energy: 1.2266561559881635
Energy: 1.4310124688711805
Energy: 1.2733260892577436
Energy: 1.4310124688711805
Energy: 1.2450234788610302
Energy: 1.4205308022191718
Energy: 1.2915244050070573
Energy: 1.420530802218204
Energy: 1.2450234788610302
Energy: 1.420530802218204
Energy: 1.2666785322539291
Energy: 1.3319153675043192
Energy: 1.2276747381046453
Energy: 1.3319153675062547
Energy: 1.2666785322539291
Energy: 1.3319153675062547
Energy: 1.2667373064007792
Energy: 1.2284619893419788
Energy: 1.2278578154094917
Energy: 1.2284619893429463
Energy: 1.2667373064007792
Energy: 1.2284619893429463
Energy: 1.2622880795803324
Energy: 1.4212984020416266
Energy: 1.2646420381438686
Energy: 1.4212984020425943
Energy: 1.2622880795803324
Energy: 1.4212984020416266
Energy: 1.2715187171056859
Energy: 1.323040852896035
Energy: 1.226429506694066
Energy: 1.323040852896035
Energy: 1.2715187171056859
Energy: 1.323040852896035
Energy: 1.2526330813994593
Energy: 1.4308215489345497
Energy: 1.2841102364794876
Energy: 1.4308215489345497
Energy: 1.2526330813994593
Energy: 1.4308215489345497
Energy: 1.2622589461647054
Energy: 1.3937206577586314
Energy: 1.2792492281994343
Energy: 1.3937206577586314
Energy: 1.2622589461647054
Energy: 1.3937206577586314
Energy: 1.251975918768836
Energy: 1.4645490852484742
Energy: 1.2809306681142252
Energy: 1.4645490852494418
Energy: 1.251975918768836
Energy: 1.4645490852494418

minimum gb energy = 1.2263180565899434 eV
minimum distance =  2.24735405626309 Angstroms
sigma value = 101


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

Energy: 1.3743807618385915
Energy: 1.2839404980171683
Energy: 1.3364824648117872
Energy: 1.2839404980171683
Energy: 1.3743807618385915
Energy: 1.2839404980171683
Energy: 1.2187753347266603
Energy: 1.2061552276174217
Energy: 1.218748929071947
Energy: 1.2061552276174217
Energy: 1.2187753347266603
Energy: 1.2061552276165706
Energy: 1.2068310300352836
Energy: 1.1942101056257068
Energy: 1.2190986846323952
Energy: 1.1942101056257068
Energy: 1.2068310300352836
Energy: 1.1942101056257068
Energy: 1.228904441351492
Energy: 1.3714989293297644
Energy: 1.2273146109599717
Energy: 1.3714989293297644
Energy: 1.228904441351492
Energy: 1.3714989293297644
Energy: 1.1938763981128273
Energy: 1.2906748882151187
Energy: 1.2036359434574546
Energy: 1.2906748882151187
Energy: 1.1938763981128273
Energy: 1.2906748882151187
Energy: 1.2077478260069954
Energy: 1.3845134390896496
Energy: 1.194578613536874
Energy: 1.3845134390896496
Energy: 1.2077478260069954
Energy: 1.3845134390896496
Energy: 1.2034847908656194
Energy: 1.4257258186987194
Energy: 1.1938177432850692
Energy: 1.4257258186987194
Energy: 1.2034847908656194
Energy: 1.4257258186987194
Energy: 1.206136498306397
Energy: 1.3320710219032297
Energy: 1.208595303042626
Energy: 1.3320710219032297
Energy: 1.206136498306397
Energy: 1.3320710219032297
Energy: 1.1937000458954805
Energy: 1.3831650692295558
Energy: 1.2072249859257995
Energy: 1.3831650692287052
Energy: 1.1937000458954805
Energy: 1.3831650692287052
Energy: 1.193094099873906
Energy: 1.3254841958581782
Energy: 1.1949018080459568
Energy: 1.3254841958581782
Energy: 1.1930940998747563
Energy: 1.3254841958581782
Energy: 1.2298150889098662
Energy: 1.3690272430468013
Energy: 1.2756417554039383
Energy: 1.3690272430468013
Energy: 1.2298150889098662
Energy: 1.3690272430468013
Energy: 1.2187331000006718
Energy: 1.1952428991281736
Energy: 1.1944606765826649
Energy: 1.1952428991281736
Energy: 1.2187331000006718
Energy: 1.1952428991281736
Energy: 1.2190971067130123
Energy: 1.2082932028478142
Energy: 1.2125847481772594
Energy: 1.2082932028452622
Energy: 1.2190971067121614
Energy: 1.2082932028469635
Energy: 1.2254485809377984
Energy: 1.208324679491037
Energy: 1.219254730297028
Energy: 1.208324679491037
Energy: 1.2254485809377984
Energy: 1.208324679491037
Energy: 1.202374278337538
Energy: 1.2946416619088994
Energy: 1.2184680575152116
Energy: 1.2946416619088994
Energy: 1.202374278337538
Energy: 1.2946416619088994
Energy: 1.250753181199337
Energy: 1.2088129389038724
Energy: 1.2065454898535115
Energy: 1.2088129389030215
Energy: 1.250753181199337
Energy: 1.2088129389038724
Energy: 1.1936948834714738
Energy: 1.2067729076868927
Energy: 1.1934298742161316
Energy: 1.2067729076877434
Energy: 1.1936948834714738
Energy: 1.2067729076877434
Energy: 1.2080880274633605
Energy: 1.2063206943565896
Energy: 1.1932046106876057
Energy: 1.2063206943565896
Energy: 1.2080880274642112
Energy: 1.2063206943565896
Energy: 1.2073696596344798
Energy: 1.3776859805284336
Energy: 1.2062502670054278
Energy: 1.3776859805284336
Energy: 1.2073696596344798
Energy: 1.3776859805284336
Energy: 1.1934865458129276
Energy: 1.2598117229978099
Energy: 1.1930754342352425
Energy: 1.2598117229969594
Energy: 1.1934865458129276
Energy: 1.2598117229969594
Energy: 1.2216839886968882
Energy: 1.222686233243072
Energy: 1.2066893836817487
Energy: 1.222686233243072
Energy: 1.2216839886968882
Energy: 1.222686233243072
Energy: 1.1944253849396254
Energy: 1.3779127649106355
Energy: 1.1930937452799375
Energy: 1.3779127649106355
Energy: 1.1944253849396254
Energy: 1.3779127649106355
Energy: 1.203239620969737
Energy: 1.3766386048589165
Energy: 1.1937456001308067
Energy: 1.3766386048589165
Energy: 1.203239620969737
Energy: 1.3766386048589165
Energy: 1.228907974219383
Energy: 1.3097606222629155
Energy: 1.260177532760865
Energy: 1.3097606222629155
Energy: 1.228907974219383
Energy: 1.3097606222629155
Energy: 1.1937752758815572
Energy: 1.286871133814864
Energy: 1.1931622263824913
Energy: 1.286871133814864
Energy: 1.1937752758815572
Energy: 1.286871133814864
Energy: 1.2125632293968838
Energy: 1.194977149155217
Energy: 1.2507931858114076
Energy: 1.194977149155217
Energy: 1.2125632293977342
Energy: 1.194977149155217
Energy: 1.219018947122363
Energy: 1.1936639677725744
Energy: 1.193379252568254
Energy: 1.1936639677725744
Energy: 1.219018947122363
Energy: 1.193663967773425
Energy: 1.2185445392885275
Energy: 1.193737169250072
Energy: 1.1956327220870293
Energy: 1.193737169250072
Energy: 1.2185445392885275
Energy: 1.1937371692492216
Energy: 1.264759289466958
Energy: 1.2143763192591501
Energy: 1.2993646289376266
Energy: 1.2143763192591501
Energy: 1.264759289466958
Energy: 1.2143763192591501
Energy: 1.19314345236444
Energy: 1.1980905236078148
Energy: 1.1954971292092667
Energy: 1.1980905236078148
Energy: 1.1931434523652906
Energy: 1.1980905236086654
Energy: 1.1935075864383997
Energy: 1.2226631600379094
Energy: 1.2062408853101332
Energy: 1.2226631600370588
Energy: 1.1935075864383997
Energy: 1.2226631600370588
Energy: 1.2144431534031597
Energy: 1.3770502915135492
Energy: 1.194527918098478
Energy: 1.3770502915135492
Energy: 1.2144431534031597
Energy: 1.3770502915135492
Energy: 1.1936489289181287
Energy: 1.2574280323025895
Energy: 1.2034083399476512
Energy: 1.2574280323025895
Energy: 1.1936489289181287
Energy: 1.2574280323025895

minimum gb energy = 1.1930754342352425 eV
minimum distance =  2.26271017158242 Angstroms
sigma value = 33


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

Energy: 0.014950600372750563
Energy: 0.015606254576246797
Energy: 1.4752355581569194
Energy: 0.015606254575540024
Energy: 0.014950600372750563
Energy: 0.015606254576246797
Energy: 0.015169656154123839
Energy: 0.6811032468876843
Energy: 0.015169656154123839
Energy: 0.6811032468883911
Energy: 0.015169656154123839
Energy: 0.6811032468883911
Energy: 1.4752355581569194
Energy: 0.015606254576246797
Energy: 0.014950600372750563
Energy: 0.015606254575540024
Energy: 1.4752355581569194
Energy: 0.015606254576246797
Energy: 0.015169656153417066
Energy: 0.6811032468876843
Energy: 0.015169656154123839
Energy: 0.6811032468876843
Energy: 0.015169656154123839
Energy: 0.6811032468876843

minimum gb energy = 0.014950600372750563 eV
minimum distance =  2.45802776536308 Angstroms
sigma value = 1