Model name: model_name=Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_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=2.8553245961666107
cohesive_energy=4.122759316666127
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: 0.012772757275992837
Energy: 0.01339616475276038
Energy: 0.4263816117200951
Energy: 0.013396164753235138
Energy: 0.012772757275992837
Energy: 0.01339616475276038
Energy: 0.01339616475276038
Energy: 2.792800498161523
Energy: 0.01339616475276038
Energy: 2.792800498161523
Energy: 0.01339616475276038
Energy: 2.79280049816102
Energy: 0.4263816117200951
Energy: 0.01339616475276038
Energy: 0.012772757275992837
Energy: 0.01339616475276038
Energy: 0.4263816117195924
Energy: 0.013396164753235138
Energy: 0.01339616475276038
Energy: 2.79280049816102
Energy: 0.0133961647522577
Energy: 2.792800498161523
Energy: 0.01339616475276038
Energy: 2.7928004981605175
Energy: 0.012772757275992837
Energy: 0.01339616475276038
Energy: 0.4263816117195924
Energy: 0.013396164753235138
Energy: 0.012772757275992837
Energy: 0.01339616475276038
Energy: 0.01339616475276038
Energy: 2.79280049816102
Energy: 0.013396164753235138
Energy: 2.7928004981619976
Energy: 0.01339616475276038
Energy: 2.792800498161523

minimum gb energy = 0.012772757275992837 eV
minimum distance =  2.26075623827305 Angstroms
sigma value = 1


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

Energy: 1.2684652270480055
Energy: 1.3338060857771779
Energy: 1.2149791225540842
Energy: 1.3338060857771779
Energy: 1.2684652270480055
Energy: 1.3338060857771779
Energy: 1.2285887813097438
Energy: 1.302160030666598
Energy: 1.2613439906128885
Energy: 1.302160030665388
Energy: 1.2285887813109537
Energy: 1.302160030665388
Energy: 1.1185267377635406
Energy: 1.2997062056377644
Energy: 1.2609351163599207
Energy: 1.2997062056389745
Energy: 1.1185267377635406
Energy: 1.2997062056389745
Energy: 1.2912152470184715
Energy: 1.2774928874215392
Energy: 1.1198290662082617
Energy: 1.2774928874239595
Energy: 1.2912152470184715
Energy: 1.2774928874227496
Energy: 1.2894728464030254
Energy: 1.3218389109486843
Energy: 1.2881091845986319
Energy: 1.3218389109486843
Energy: 1.2894728464030254
Energy: 1.3218389109486843
Energy: 1.2619852845244857
Energy: 1.3036957819910706
Energy: 1.1244289364877327
Energy: 1.3036957819910706
Energy: 1.2619852845244857
Energy: 1.3036957819910706
Energy: 1.26184017025995
Energy: 1.2986783877133323
Energy: 1.1244953247050542
Energy: 1.2986783877133323
Energy: 1.26184017025995
Energy: 1.2986783877133323
Energy: 1.3113972104844298
Energy: 1.323308318430434
Energy: 1.12091441199637
Energy: 1.323308318430434
Energy: 1.3113972104844298
Energy: 1.323308318430434
Energy: 1.326728902705047
Energy: 1.2708681208620038
Energy: 1.1196923398106935
Energy: 1.2708681208511137
Energy: 1.3267289027038371
Energy: 1.2708681208499033
Energy: 1.263292948926682
Energy: 1.297386660496334
Energy: 1.1253311869360918
Energy: 1.297386660496334
Energy: 1.263292948926682
Energy: 1.2973866604951239
Energy: 1.1187692310865713
Energy: 1.2770552243528306
Energy: 1.2261667797214448
Energy: 1.2770552243697706
Energy: 1.1187692310865713
Energy: 1.2770552243891309
Energy: 1.1220773257276557
Energy: 1.3214221738733116
Energy: 1.1220850889579623
Energy: 1.3214221738733116
Energy: 1.1220773257276557
Energy: 1.3214221738733116
Energy: 1.226345024298868
Energy: 1.2770552243697706
Energy: 1.2308501095603142
Energy: 1.2770552243383102
Energy: 1.226345024298868
Energy: 1.2770552243637208
Energy: 1.125570320986565
Energy: 1.2976056985519566
Energy: 1.2632969850443645
Energy: 1.2976056985519566
Energy: 1.125570320986565
Energy: 1.2976056985519566
Energy: 1.1195466146600128
Energy: 1.2712785873954144
Energy: 1.3264106844044683
Energy: 1.2712785873929942
Energy: 1.1195466146600128
Energy: 1.2712785873917842
Energy: 1.1208696197057313
Energy: 1.3233126011475727
Energy: 1.3114092968030797
Energy: 1.3233126011475727
Energy: 1.1208696197033112
Energy: 1.3233126011475727
Energy: 1.1243439753289894
Energy: 1.2984634306470872
Energy: 1.2624468606695627
Energy: 1.2984634306470872
Energy: 1.1243439753289894
Energy: 1.2984634306470872
Energy: 1.1247887110486452
Energy: 1.303932244429182
Energy: 1.264170194936662
Energy: 1.3039322444316022
Energy: 1.1247887110486452
Energy: 1.3039322444303922
Energy: 1.287972416361614
Energy: 1.3219389850411127
Energy: 1.2890531769358184
Energy: 1.3219389850411127
Energy: 1.287972416361614
Energy: 1.3219389850422676
Energy: 1.1197550845182236
Energy: 1.2669751981288577
Energy: 1.2889652081606162
Energy: 1.2669751981300676
Energy: 1.1197550845182236
Energy: 1.2669751981300676
Energy: 1.2608138058790643
Energy: 1.2997345402740996
Energy: 1.1185109438725453
Energy: 1.2997345402740996
Energy: 1.2608138058790643
Energy: 1.2997345402728895
Energy: 1.2630449604635787
Energy: 1.3015814438561584
Energy: 1.2281621854689782
Energy: 1.3015814438561584
Energy: 1.2630449604635787
Energy: 1.3015814438561584
Energy: 1.2149791225552944
Energy: 1.3338060857771779
Energy: 1.2684652270480055
Energy: 1.3338060857771779
Energy: 1.2149791225552944
Energy: 1.3338060857771779

minimum gb energy = 1.1185109438725453 eV
minimum distance =  2.23471991595132 Angstroms
sigma value = 33


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

Energy: 1.6676741206443992
Energy: 1.3908579149967273
Energy: 1.2732583596582452
Energy: 1.3908579149960387
Energy: 1.6676741206450876
Energy: 1.3908579149967273
Energy: 1.2359129821421908
Energy: 1.3564241195944529
Energy: 1.3890131543375241
Energy: 1.3564241195937647
Energy: 1.2359129821435675
Energy: 1.3564241195937647
Energy: 1.163410952659389
Energy: 1.3874014393905496
Energy: 1.3612497042856238
Energy: 1.3874014393912377
Energy: 1.163410952659389
Energy: 1.3874014393905496
Energy: 1.2635231994991991
Energy: 1.3343530973318631
Energy: 1.375046317014391
Energy: 1.3343530973311748
Energy: 1.2635231994998872
Energy: 1.3343530973318631
Energy: 1.2631820942439327
Energy: 1.3879134831899198
Energy: 1.3739703552533697
Energy: 1.3879134831899198
Energy: 1.2631820942439327
Energy: 1.3879134831899198
Energy: 1.2808687383034016
Energy: 1.3661121001560086
Energy: 1.1700042384434968
Energy: 1.3661121001553205
Energy: 1.2808687383034016
Energy: 1.3661121001553205
Energy: 1.2809724914957579
Energy: 1.3660744711568524
Energy: 1.3514851831625998
Energy: 1.3660744711575405
Energy: 1.2809724914957579
Energy: 1.3660744711568524
Energy: 1.195806437061867
Energy: 1.367956781861174
Energy: 1.281146723279
Energy: 1.367956781861174
Energy: 1.195806437061867
Energy: 1.367956781861174
Energy: 1.3037721435668912
Energy: 1.333752079498647
Energy: 1.3718751562425568
Energy: 1.333752079498647
Energy: 1.3037721435668912
Energy: 1.333752079498647
Energy: 1.2328737670326482
Energy: 1.387213225503677
Energy: 1.2378047572939348
Energy: 1.387213225503677
Energy: 1.2328737670326482
Energy: 1.387213225503677
Energy: 1.235180473753072
Energy: 1.3582264683542509
Energy: 1.2847525336660606
Energy: 1.3582264683535628
Energy: 1.235180473753072
Energy: 1.3582264683542509
Energy: 1.359943463013988
Energy: 1.369023726277624
Energy: 1.255676091117378
Energy: 1.369023726277624
Energy: 1.359943463013988
Energy: 1.369023726277624
Energy: 1.4270921595219266
Energy: 1.3380672131929965
Energy: 1.234978132959894
Energy: 1.3380672131929965
Energy: 1.427092159523303
Energy: 1.3380672131936846
Energy: 1.3065659291361424
Energy: 1.3871118518822447
Energy: 1.2925457852043398
Energy: 1.3871118518815568
Energy: 1.3065659291354539
Energy: 1.3871118518815568
Energy: 1.3609797889795212
Energy: 1.3748215884091852
Energy: 1.3421906758490965
Energy: 1.3748215884098733
Energy: 1.3609797889795212
Energy: 1.3748215884091852
Energy: 1.3614154643305711
Energy: 1.3878155508941434
Energy: 1.2550497643358547
Energy: 1.3878155508941434
Energy: 1.3614154643305711
Energy: 1.3878155508941434
Energy: 1.378438703787952
Energy: 1.3665164448716476
Energy: 1.2407226864924206
Energy: 1.3665164448716476
Energy: 1.378438703787952
Energy: 1.3665164448716476
Energy: 1.375697599317423
Energy: 1.3581076015701457
Energy: 1.4384167183219023
Energy: 1.358107601571522
Energy: 1.3756975993181113
Energy: 1.358107601570834
Energy: 1.1701413535935858
Energy: 1.3687488533168597
Energy: 1.2811566422908116
Energy: 1.3687488533168597
Energy: 1.1701413535928975
Energy: 1.3687488533168597
Energy: 1.3157246097740543
Energy: 1.3287022507140496
Energy: 1.3725434785625188
Energy: 1.3287022507147375
Energy: 1.3157246097747426
Energy: 1.3287022507133612
Energy: 1.3595397934792337
Energy: 1.3880694350593188
Energy: 1.2164517063933
Energy: 1.388069435060007
Energy: 1.3595397934792337
Energy: 1.388069435060007
Energy: 1.2357231894930056
Energy: 1.3586917044150342
Energy: 1.4274288780260478
Energy: 1.3586917044129694
Energy: 1.2357231894930056
Energy: 1.3586917044150342
Energy: 1.2375779247817449
Energy: 1.3689889896983927
Energy: 1.3744228047262224
Energy: 1.3689889896977043
Energy: 1.2375779247817449
Energy: 1.3689889896983927
Energy: 1.4574109284141423
Energy: 1.3571999894478077
Energy: 1.2828297354274798
Energy: 1.3571999894484958
Energy: 1.4574109284141423
Energy: 1.3571999894478077
Energy: 1.2793926649522775
Energy: 1.366328376334986
Energy: 1.3612487086427238
Energy: 1.366328376334986
Energy: 1.2793926649522775
Energy: 1.3663283763356744
Energy: 1.2916742050717571
Energy: 1.387909060469797
Energy: 1.1890386362961463
Energy: 1.387909060469797
Energy: 1.2916742050710688
Energy: 1.387909060469797
Energy: 1.2917427191172555
Energy: 1.3881160897705451
Energy: 1.2193361578688664
Energy: 1.3881160897712335
Energy: 1.2917427191179434
Energy: 1.3881160897712335
Energy: 1.2794490679886965
Energy: 1.3663131039288263
Energy: 1.3606953624246454
Energy: 1.3663131039295147
Energy: 1.2794490679886965
Energy: 1.3663131039288263
Energy: 1.456899600493871
Energy: 1.3574668402700785
Energy: 1.2838415968754178
Energy: 1.357466840270767
Energy: 1.456899600493183
Energy: 1.3574668402700785
Energy: 1.2380447320271126
Energy: 1.369024882393906
Energy: 1.3750359118466269
Energy: 1.369024882393906
Energy: 1.238044732027801
Energy: 1.369024882393906
Energy: 1.2357350358280745
Energy: 1.3586917044157225
Energy: 1.4275764008363465
Energy: 1.3586917044150342
Energy: 1.2357350358280745
Energy: 1.3586917044170992
Energy: 1.359468243607664
Energy: 1.3886473262737922
Energy: 1.2164879174330427
Energy: 1.3886473262737922
Energy: 1.359468243608352
Energy: 1.3886473262737922
Energy: 1.3161498156053721
Energy: 1.332463030602946
Energy: 1.3715861945882322
Energy: 1.3324630306036342
Energy: 1.3161498156053721
Energy: 1.3324630306022576
Energy: 1.1701447740186868
Energy: 1.368729338181344
Energy: 1.3045509598674057
Energy: 1.368729338181344
Energy: 1.1701447740186868
Energy: 1.368729338181344
Energy: 1.3749000516694765
Energy: 1.3578634257188251
Energy: 1.3386850672244623
Energy: 1.3578634257195135
Energy: 1.3749000516694765
Energy: 1.3578634257188251
Energy: 1.3736981327772733
Energy: 1.3664836686777522
Energy: 1.2400716890202648
Energy: 1.3664836686777522
Energy: 1.3736981327772733
Energy: 1.3664836686777522
Energy: 1.3643436859092042
Energy: 1.38802802584092
Energy: 1.255063899829086
Energy: 1.3880280258402318
Energy: 1.3643436859092042
Energy: 1.3880280258402318
Energy: 1.3629446783791583
Energy: 1.3718984827179257
Energy: 1.3388193105249442
Energy: 1.3718984827172371
Energy: 1.3629446783791583
Energy: 1.3718984827172371
Energy: 1.3049218424385132
Energy: 1.3871496317180214
Energy: 1.2923397541902903
Energy: 1.3871496317180214
Energy: 1.3049218424392013
Energy: 1.3871496317173333
Energy: 1.4284334290556349
Energy: 1.3412352420295144
Energy: 1.2360078766271927
Energy: 1.3412352420295144
Energy: 1.4284334290549465
Energy: 1.3412352420288265
Energy: 1.3599358323836144
Energy: 1.3689838639630572
Energy: 1.2561337054711759
Energy: 1.3689838639637455
Energy: 1.3599358323836144
Energy: 1.3689838639630572

minimum gb energy = 1.163410952659389 eV
minimum distance =  2.22798626437399 Angstroms
sigma value = 51


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

Energy: 1.6228808092886007
Energy: 1.4878631936242666
Energy: 1.228935144970853
Energy: 1.4878631936242666
Energy: 1.6228808092886007
Energy: 1.4878631936242666
Energy: 1.3057881673844154
Energy: 1.4040048727716379
Energy: 1.4480445953890735
Energy: 1.4040048727716379
Energy: 1.3057881673844154
Energy: 1.4040048727716379
Energy: 1.2361848062221126
Energy: 1.4080122658050116
Energy: 1.4516091680485141
Energy: 1.4080122658034169
Energy: 1.2361848062221126
Energy: 1.4080122658050116
Energy: 1.2478677729450094
Energy: 1.4023030020924485
Energy: 1.4475272866655136
Energy: 1.4023030020924485
Energy: 1.2478677729434147
Energy: 1.4023030020924485
Energy: 1.2722301478348026
Energy: 1.4024405524110357
Energy: 1.4517080339738877
Energy: 1.4024405524110357
Energy: 1.2722301478348026
Energy: 1.4024405524094408
Energy: 1.4370546418043102
Energy: 1.3482486553200692
Energy: 1.465734493080224
Energy: 1.3482486553200692
Energy: 1.4370546418043102
Energy: 1.3482486553200692
Energy: 1.437900408313615
Energy: 1.353274436102317
Energy: 1.4218529121310164
Energy: 1.353274436102317
Energy: 1.4379004083152094
Energy: 1.353274436102317
Energy: 1.269983045129587
Energy: 1.4171590016012985
Energy: 1.232792159573622
Energy: 1.4171590016012985
Energy: 1.269983045129587
Energy: 1.4171590016012985
Energy: 1.4370081808028723
Energy: 1.4449192022324024
Energy: 1.1926466930874464
Energy: 1.4449192022324024
Energy: 1.4370081808012778
Energy: 1.444919202230808
Energy: 1.2387955995906206
Energy: 1.4077839926965041
Energy: 1.2328550657339847
Energy: 1.4077839926965041
Energy: 1.2387955995906206
Energy: 1.4077839926965041
Energy: 1.4713754148249032
Energy: 1.3517086611879008
Energy: 1.4514762710849771
Energy: 1.3517086611879008
Energy: 1.4713754148233447
Energy: 1.3517086611894955
Energy: 1.6230366967680236
Energy: 1.489384446603185
Energy: 1.4653512677825973
Energy: 1.4893844466047796
Energy: 1.6230366967680236
Energy: 1.489384446603185
Energy: 1.3146103095664976
Energy: 1.4074603342073375
Energy: 1.4516296023400952
Energy: 1.4074603342073375
Energy: 1.3146103095664976
Energy: 1.4074603342073375
Energy: 1.238759065826357
Energy: 1.4077354123731178
Energy: 1.4608568429550697
Energy: 1.4077354123715229
Energy: 1.238759065826357
Energy: 1.4077354123731178
Energy: 1.2363508714301665
Energy: 1.4082349355350983
Energy: 1.450037815626695
Energy: 1.4082349355350983
Energy: 1.2363508714301665
Energy: 1.4082349355350983
Energy: 1.2721017673542316
Energy: 1.4029367358356744
Energy: 1.4527475996753638
Energy: 1.4029367358356744
Energy: 1.2721017673526367
Energy: 1.4029367358340796
Energy: 1.4370917497941618
Energy: 1.4081645676382524
Energy: 1.465324227305179
Energy: 1.4081645676398469
Energy: 1.4370917497941618
Energy: 1.4081645676398469
Energy: 1.437464995110291
Energy: 1.351671243928573
Energy: 1.421776341652776
Energy: 1.3516712439317622
Energy: 1.437464995100759
Energy: 1.3516712439301677

minimum gb energy = 1.1926466930874464 eV
minimum distance =  2.20779745929883 Angstroms
sigma value = 19


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

Energy: 1.5463370787146893
Energy: 1.5133224893463522
Energy: 1.4185537882021333
Energy: 1.5133224893463522
Energy: 1.5463370787146893
Energy: 1.5133224893472983
Energy: 1.280715306881015
Energy: 1.4827882723217012
Energy: 1.421623579824905
Energy: 1.4827882723217012
Energy: 1.2807153068819612
Energy: 1.4827882723217012
Energy: 1.212097308414053
Energy: 1.46185093857182
Energy: 1.3741380752389292
Energy: 1.46185093857182
Energy: 1.212097308414053
Energy: 1.46185093857182
Energy: 1.2333011677418355
Energy: 1.4492797053037787
Energy: 1.3766619404138416
Energy: 1.4492797053037787
Energy: 1.2333011677418355
Energy: 1.4492797053037787
Energy: 1.2978957747676112
Energy: 1.5272891627959817
Energy: 1.5698583486955238
Energy: 1.5272891627959817
Energy: 1.2978957747676112
Energy: 1.5272891627959817
Energy: 1.5697483682264375
Energy: 1.5273472613468828
Energy: 1.2977375782394018
Energy: 1.5273472613478287
Energy: 1.5697483682273834
Energy: 1.5273472613478287
Energy: 1.3743403523349542
Energy: 1.4491535119162942
Energy: 1.2328202405193323
Energy: 1.4491535119162942
Energy: 1.3743403523349542
Energy: 1.4491535119162942
Energy: 1.3742613662805745
Energy: 1.4619022305891876
Energy: 1.2120623834805868
Energy: 1.4619022305891876
Energy: 1.3742613662796284
Energy: 1.4619022305901335
Energy: 1.4215286965637308
Energy: 1.4828388344456458
Energy: 1.2802414522453518
Energy: 1.4828388344456458
Energy: 1.4215286965637308
Energy: 1.4828388344456458
Energy: 1.4185537882021333
Energy: 1.5133224893463522
Energy: 1.5463370787146893
Energy: 1.5133224893463522
Energy: 1.4185537882021333
Energy: 1.5133224893463522
Energy: 1.421623579824905
Energy: 1.4827882723217012
Energy: 1.280715306881015
Energy: 1.4827882723217012
Energy: 1.421623579825851
Energy: 1.4827882723217012
Energy: 1.374138075240821
Energy: 1.46185093857182
Energy: 1.212097308414053
Energy: 1.46185093857182
Energy: 1.3741380752417671
Energy: 1.46185093857182
Energy: 1.3766619404157332
Energy: 1.4492797053037787
Energy: 1.2333011677418355
Energy: 1.4492797053037787
Energy: 1.376661940410058
Energy: 1.4492797053037787
Energy: 1.569858348694578
Energy: 1.5272891627959817
Energy: 1.2978957747676112
Energy: 1.5272891627959817
Energy: 1.5698583486955238
Energy: 1.5272891627950358
Energy: 1.2977375782394018
Energy: 1.5273472613468828
Energy: 1.5697483682264375
Energy: 1.5273472613468828
Energy: 1.2977375782394018
Energy: 1.5273472613478287
Energy: 1.2328202405193323
Energy: 1.4491535119162942
Energy: 1.374340352336846
Energy: 1.4491535119162942
Energy: 1.2328202405193323
Energy: 1.4491535119153482
Energy: 1.2120623834805868
Energy: 1.4619022305891876
Energy: 1.3742613662805745
Energy: 1.4619022305901335
Energy: 1.2120623834805868
Energy: 1.4619022305901335
Energy: 1.2802414522453518
Energy: 1.4828388344456458
Energy: 1.4215286965637308
Energy: 1.4828388344456458
Energy: 1.2802414522453518
Energy: 1.4828388344456458
Energy: 1.5463370787146893
Energy: 1.5133224893463522
Energy: 1.4185537882021333
Energy: 1.5133224893454063
Energy: 1.5463370787146893
Energy: 1.5133224893472983
Energy: 1.280715306881015
Energy: 1.4827882723217012
Energy: 1.421623579824905
Energy: 1.4827882723217012
Energy: 1.280715306881015
Energy: 1.4827882723217012
Energy: 1.212097308414053
Energy: 1.46185093857182
Energy: 1.374138075239875
Energy: 1.46185093857182
Energy: 1.212097308414053
Energy: 1.46185093857182
Energy: 1.3041239754340437
Energy: 1.4492797053037787
Energy: 1.3766619404157332
Energy: 1.4492797053037787
Energy: 1.3041239754302603
Energy: 1.4492797053037787
Energy: 1.2978957747676112
Energy: 1.5272891627959817
Energy: 1.5698583486955238
Energy: 1.5272891627959817
Energy: 1.2978957747676112
Energy: 1.5272891627959817
Energy: 1.5697483682264375
Energy: 1.5273472613478287
Energy: 1.2977375782394018
Energy: 1.5273472613468828
Energy: 1.5697483682264375
Energy: 1.5273472613478287
Energy: 1.374340352334008
Energy: 1.4491535119162942
Energy: 1.2328202405193323
Energy: 1.4491535119162942
Energy: 1.3743403523349542
Energy: 1.4491535119162942
Energy: 1.3742613662805745
Energy: 1.4619022305901335
Energy: 1.2120623834805868
Energy: 1.4619022305901335
Energy: 1.3742613662805745
Energy: 1.4619022305901335
Energy: 1.421528696562785
Energy: 1.4828388344456458
Energy: 1.2802414522453518
Energy: 1.4828388344456458
Energy: 1.4215286965637308
Energy: 1.4828388344456458
Energy: 1.4185537882021333
Energy: 1.513322489348244
Energy: 1.5463370787146893
Energy: 1.5133224893463522
Energy: 1.4185537882021333
Energy: 1.513322489348244
Energy: 1.421623579824905
Energy: 1.4827882723217012
Energy: 1.2807153068800694
Energy: 1.4827882723217012
Energy: 1.421623579824905
Energy: 1.4827882723217012
Energy: 1.374138075240821
Energy: 1.46185093857182
Energy: 1.212097308414053
Energy: 1.46185093857182
Energy: 1.3741380752417671
Energy: 1.46185093857182

minimum gb energy = 1.2120623834805868 eV
minimum distance =  2.19725007361722 Angstroms
sigma value = 27


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

Energy: 1.17169601436023
Energy: 1.3584751408637894
Energy: 1.5014874803082159
Energy: 1.3584751408635525
Energy: 1.17169601436023
Energy: 1.3584751408637894
Energy: 1.1631743147472897
Energy: 1.4372454045626866
Energy: 1.2098560608367614
Energy: 1.4372454045624496
Energy: 1.1631743147470528
Energy: 1.4372454045624496
Energy: 1.1928354727371
Energy: 1.4977897230832486
Energy: 1.2076843106870228
Energy: 1.4977897230832486
Energy: 1.1928354727373371
Energy: 1.4977897230834856
Energy: 1.1694506542795362
Energy: 1.3583055648770148
Energy: 1.1913118352290606
Energy: 1.358305564877252
Energy: 1.1694506542795362
Energy: 1.358305564877252
Energy: 1.2093481735292162
Energy: 1.3653308080823434
Energy: 1.193470636184007
Energy: 1.3653308080823434
Energy: 1.2093481735292162
Energy: 1.3653308080825806
Energy: 1.191099253121267
Energy: 1.5092541669800736
Energy: 1.2074235591894844
Energy: 1.5092541669779937
Energy: 1.191099253121267
Energy: 1.5092541669803108
Energy: 1.207403393048451
Energy: 1.3831389829158478
Energy: 1.1913035583584695
Energy: 1.3831389829223248
Energy: 1.207403393048451
Energy: 1.3831389829186125
Energy: 1.1692331152328521
Energy: 1.3653325867355959
Energy: 1.2112482668193973
Energy: 1.365332586735833
Energy: 1.1692331152324047
Energy: 1.365332586735833
Energy: 1.1912709806739834
Energy: 1.4407530272345523
Energy: 1.2074502821969366
Energy: 1.440753027234105
Energy: 1.1912709806739834
Energy: 1.4407530272338678
Energy: 1.1911611254601577
Energy: 1.4553108063806364
Energy: 1.1911547683061556
Energy: 1.4553108063806364
Energy: 1.1911611254601577
Energy: 1.4553108063806364
Energy: 1.2072976372682915
Energy: 1.440226974954762
Energy: 1.1912171789425412
Energy: 1.440226974954762
Energy: 1.2072976372687654
Energy: 1.4402269749556837
Energy: 1.21115076635131
Energy: 1.365291779361373
Energy: 1.1691950599699281
Energy: 1.365291779361373
Energy: 1.2111507663515468
Energy: 1.365291779361373

minimum gb energy = 1.1631743147470528 eV
minimum distance =  2.23073250944206 Angstroms
sigma value = 9


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

Energy: 1.5964532557315936
Energy: 1.555490653421733
Energy: 1.461258540193673
Energy: 1.555490653421733
Energy: 1.5964532557315936
Energy: 1.5554906534223838
Energy: 1.415385893278677
Energy: 1.4900795018492512
Energy: 1.3144453796861277
Energy: 1.4900795018492512
Energy: 1.4153858932773749
Energy: 1.4900795018492512
Energy: 1.2845067064802402
Energy: 1.5088421816236852
Energy: 1.3050825193083286
Energy: 1.5088421816236852
Energy: 1.2845067064802402
Energy: 1.5088421816236852
Energy: 1.2398242367719057
Energy: 1.474645950862977
Energy: 1.2146950868358974
Energy: 1.474645950863628
Energy: 1.2398242367712546
Energy: 1.474645950863628
Energy: 1.2384456140522901
Energy: 1.4743772582293069
Energy: 1.2152893481259324
Energy: 1.474377258229958
Energy: 1.2384456140522901
Energy: 1.4743772582293069
Energy: 1.2208514435673565
Energy: 1.4246128032110623
Energy: 1.2865379979537996
Energy: 1.4246128032110623
Energy: 1.2208514435673565
Energy: 1.4246128032110623
Energy: 1.4768535327806922
Energy: 1.5078762940904362
Energy: 1.309423665928572
Energy: 1.5078762940904362
Energy: 1.4768535327806922
Energy: 1.5078762940904362
Energy: 1.42017221547092
Energy: 1.4732831720652395
Energy: 1.395243013473782
Energy: 1.4732831720652395
Energy: 1.42017221547092
Energy: 1.4732831720652395
Energy: 1.4115214454565184
Energy: 1.5007234851497884
Energy: 1.319023897720895
Energy: 1.5007234851497884
Energy: 1.4115214454558673
Energy: 1.5007234851497884
Energy: 1.4227396058169448
Energy: 1.5243294490117352
Energy: 1.2378953945980635
Energy: 1.5243294490117352
Energy: 1.4227396058175958
Energy: 1.5243294490117352
Energy: 1.4609188779841233
Energy: 1.496742630654951
Energy: 1.3189274811681961
Energy: 1.496742630654951
Energy: 1.4609188779854256
Energy: 1.496742630654951
Energy: 1.2918224625835324
Energy: 1.4727045077465033
Energy: 1.2908540910569084
Energy: 1.4727045077465033
Energy: 1.2918224625835324
Energy: 1.4727045077465033
Energy: 1.2250616324157855
Energy: 1.4245935842591768
Energy: 1.2204702923388615
Energy: 1.4245935842591768
Energy: 1.2250616324157855
Energy: 1.4245935842591768
Energy: 1.47819449444764
Energy: 1.5448211679108577
Energy: 1.2218091740746955
Energy: 1.5448211679102362
Energy: 1.47819449444764
Energy: 1.5448211679108577
Energy: 1.2946294106485468
Energy: 1.4954327582904472
Energy: 1.3437402999885184
Energy: 1.4954327582910985
Energy: 1.2946294106485468
Energy: 1.4954327582904472
Energy: 1.3616542848672928
Energy: 1.4772104614864499
Energy: 1.2905066591991647
Energy: 1.4772104614864499
Energy: 1.3616542848672928
Energy: 1.4772104614864499
Energy: 1.4250434392761155
Energy: 1.517516998302368
Energy: 1.3133030115921707
Energy: 1.517516998301066
Energy: 1.4250434392761155
Energy: 1.517516998301717
Energy: 1.2893259729672908
Energy: 1.4281673673336817
Energy: 1.3079586035471216
Energy: 1.4281673673349837
Energy: 1.2893259729679418
Energy: 1.4281673673349837
Energy: 1.4224767908602174
Energy: 1.5397503597667823
Energy: 1.2254597017450903
Energy: 1.5397503597667823
Energy: 1.4224767908602174
Energy: 1.5397503597667823
Energy: 1.2200471376432043
Energy: 1.58262781408752
Energy: 1.2222969606936354
Energy: 1.58262781408752
Energy: 1.2200471376432043
Energy: 1.58262781408752
Energy: 1.2253287592411066
Energy: 1.5398167259219604
Energy: 1.422375202619663
Energy: 1.5398167259219604
Energy: 1.2253287592411066
Energy: 1.5398167259219604
Energy: 1.3080133392109732
Energy: 1.4304837204849588
Energy: 1.289660510146027
Energy: 1.4304837204849588
Energy: 1.308013339210322
Energy: 1.4304837204856098
Energy: 1.313359024218888
Energy: 1.5173805595704177
Energy: 1.424850850109728
Energy: 1.5173805595704177
Energy: 1.313359024219539
Energy: 1.5173805595704177
Energy: 1.291604260867576
Energy: 1.4774982998391142
Energy: 1.3621236437692825
Energy: 1.4774982998397654
Energy: 1.291604260867576
Energy: 1.4774982998397654
Energy: 1.350278700018751
Energy: 1.495609731797146
Energy: 1.2942741641035356
Energy: 1.495609731797797
Energy: 1.3502787000194019
Energy: 1.495609731797146
Energy: 1.2217806642383513
Energy: 1.5453702268691065
Energy: 1.4781385071057953
Energy: 1.5453702268691065
Energy: 1.2217806642403046
Energy: 1.5453702268691065
Energy: 1.2206345441288189
Energy: 1.4251244304186927
Energy: 1.224285441021254
Energy: 1.4251244304186927
Energy: 1.2206345441288189
Energy: 1.4251244304186927
Energy: 1.2851383513178216
Energy: 1.4726739434682496
Energy: 1.2918486776199332
Energy: 1.4726739434682496
Energy: 1.2851383513171706
Energy: 1.4726739434675986
Energy: 1.3189253530873644
Energy: 1.4968364855602625
Energy: 1.4677517461461043
Energy: 1.4968364855602625
Energy: 1.3189253530873644
Energy: 1.4968364855602625
Energy: 1.2384699736318232
Energy: 1.5248919220075432
Energy: 1.4228383063784795
Energy: 1.5248919220075432
Energy: 1.2384699736318232
Energy: 1.5248919220081942
Energy: 1.3169399477333723
Energy: 1.5007234851497884
Energy: 1.4119976065427897
Energy: 1.5007234851491373
Energy: 1.3169399477333723
Energy: 1.5007234851497884
Energy: 1.3391408306523713
Energy: 1.4732524106571498
Energy: 1.4200693631734813
Energy: 1.4732524106571498
Energy: 1.3391408306517203
Energy: 1.4732524106571498
Energy: 1.313360890032216
Energy: 1.507889340704581
Energy: 1.4769990234576742
Energy: 1.507889340705232
Energy: 1.313360890032216
Energy: 1.507889340704581
Energy: 1.3147657751297062
Energy: 1.425698617791838
Energy: 1.2209729016412485
Energy: 1.425698617792489
Energy: 1.31476577513231
Energy: 1.425698617791838
Energy: 1.2142247806987931
Energy: 1.4741965297367439
Energy: 1.2386186576000877
Energy: 1.4741965297367439
Energy: 1.2142247806981423
Energy: 1.4741965297367439
Energy: 1.2155876558889436
Energy: 1.4763895881166127
Energy: 1.239823107215046
Energy: 1.4763895881166127
Energy: 1.2155876558876413
Energy: 1.4763895881166127
Energy: 1.3053337475006683
Energy: 1.5087021169995998
Energy: 1.2839128287244945
Energy: 1.5087021169995998
Energy: 1.3053337475006683
Energy: 1.5087021169995998
Energy: 1.3156191472030612
Energy: 1.4900795018486002
Energy: 1.415642216182367
Energy: 1.4900795018492512
Energy: 1.3156191472030612
Energy: 1.4900795018486002
Energy: 1.4612585401943243
Energy: 1.555490653421733
Energy: 1.5964532557309425
Energy: 1.555490653421733
Energy: 1.461258540193673
Energy: 1.555490653421733
Energy: 1.3144453796867788
Energy: 1.490079501847949
Energy: 1.4153858932773749
Energy: 1.4900795018486002
Energy: 1.3144453796861277
Energy: 1.4900795018499022
Energy: 1.3050825193083286
Energy: 1.5088421816236852
Energy: 1.2845067064802402
Energy: 1.5088421816236852
Energy: 1.3050825193083286
Energy: 1.5088421816236852
Energy: 1.2146950868358974
Energy: 1.474645950863628
Energy: 1.2398242367719057
Energy: 1.474645950862977
Energy: 1.2146950868358974
Energy: 1.474645950862977
Energy: 1.2152893481265832
Energy: 1.4743772582293069
Energy: 1.2384456140522901
Energy: 1.474377258229958
Energy: 1.2152893481259324
Energy: 1.474377258229958

minimum gb energy = 1.2142247806981423 eV
minimum distance =  2.18515782729905 Angstroms
sigma value = 57


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

Energy: 1.6059535144257633
Energy: 1.5085078622658907
Energy: 1.1620399134923434
Energy: 1.5085078622658907
Energy: 1.6059535144257633
Energy: 1.5085078622658907
Energy: 1.6873069621844423
Energy: 1.46342250698921
Energy: 1.2056641678864983
Energy: 1.463422506990692
Energy: 1.6873069621844423
Energy: 1.46342250698921
Energy: 1.1947764929311162
Energy: 1.4660884003623862
Energy: 1.2026224506161587
Energy: 1.4660884003623862
Energy: 1.1947764929311162
Energy: 1.4660884003623862
Energy: 1.283212088037119
Energy: 1.4365946771947826
Energy: 1.3652616179407855
Energy: 1.4365946771947826
Energy: 1.283212088037119
Energy: 1.4365946771947826
Energy: 1.2012636372190877
Energy: 1.4223086315817801
Energy: 1.2834634791914248
Energy: 1.4223086315802977
Energy: 1.2012636372190877
Energy: 1.4223086315802977
Energy: 1.5774140144106443
Energy: 1.3946271354786268
Energy: 1.1147284406774167
Energy: 1.3946271354786268
Energy: 1.5774140144106443
Energy: 1.3946271354771447
Energy: 1.5748239990351272
Energy: 1.3950800049604253
Energy: 1.1141584938953182
Energy: 1.3950800049619074
Energy: 1.5748239990351272
Energy: 1.3950800049604253
Energy: 1.201062835902031
Energy: 1.4223629863810447
Energy: 1.1727206821720273
Energy: 1.4223629863810447
Energy: 1.201062835902031
Energy: 1.4223629863795628
Energy: 1.2838006871937366
Energy: 1.4364711433109887
Energy: 1.2832727602247445
Energy: 1.4364711433109887
Energy: 1.2838006871937366
Energy: 1.4364711433109887
Energy: 1.1948112362534216
Energy: 1.4399912156573569
Energy: 1.3109466014462046
Energy: 1.4399912156573569
Energy: 1.1948112362534216
Energy: 1.4399912156573569
Energy: 1.6885885029124141
Energy: 1.463422506987728
Energy: 1.2039465744518658
Energy: 1.463422506987728
Energy: 1.6885885029124141
Energy: 1.463422506987728
Energy: 1.6059535144257633
Energy: 1.5085078622658907
Energy: 1.4445277734471007
Energy: 1.5085078622658907
Energy: 1.6059535144257633
Energy: 1.5085078622658907
Energy: 1.6873069621844423
Energy: 1.46342250698921
Energy: 1.2056641678864983
Energy: 1.46342250698921
Energy: 1.6873069621844423
Energy: 1.46342250698921
Energy: 1.1947764929325981
Energy: 1.4660884003623862
Energy: 1.2026224506161587
Energy: 1.4660884003623862
Energy: 1.1947764929311162
Energy: 1.4660884003623862
Energy: 1.2832120880356372
Energy: 1.4365946771947826
Energy: 1.1973040393353924
Energy: 1.4365946771947826
Energy: 1.2832120880356372
Energy: 1.4365946771947826
Energy: 1.2012636372190877
Energy: 1.4223086315817801
Energy: 1.283463479192907
Energy: 1.4223086315817801
Energy: 1.2012636372190877
Energy: 1.4223086315817801
Energy: 1.5774140144106443
Energy: 1.3946271354786268
Energy: 1.1147284406774167
Energy: 1.3946271354786268
Energy: 1.5774140144106443
Energy: 1.3946271354786268
Energy: 1.5748239990351272
Energy: 1.3950800049604253
Energy: 1.1141584938953182
Energy: 1.3950800049604253
Energy: 1.574823999033645
Energy: 1.3950800049589434
Energy: 1.201062835902031
Energy: 1.4223629863810447
Energy: 1.2085232036661573
Energy: 1.4223629863795628
Energy: 1.201062835902031
Energy: 1.4223629863810447

minimum gb energy = 1.1141584938953182 eV
minimum distance =  2.18009492909035 Angstroms
sigma value = 11


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

Energy: 1.2433384263356315
Energy: 1.3644207302377795
Energy: 1.3458793028887481
Energy: 1.364420730238865
Energy: 1.2433384263356315
Energy: 1.3644207302377795
Energy: 1.719771941372821
Energy: 1.3110028582573063
Energy: 1.0536076046322678
Energy: 1.3110028582540498
Energy: 1.7197719413739063
Energy: 1.3110028582594775
Energy: 1.2277153477044056
Energy: 1.295075893909346
Energy: 1.1992872288167051
Energy: 1.295075893909346
Energy: 1.2277153477033198
Energy: 1.2950758939082605
Energy: 1.2522981161949664
Energy: 1.2852439781400484
Energy: 1.0545924705443877
Energy: 1.2852439781400484
Energy: 1.252298116196052
Energy: 1.2852439781378775
Energy: 1.0527487451161737
Energy: 1.3646845201553834
Energy: 1.0980587854004635
Energy: 1.3646845201564692
Energy: 1.0527487451161737
Energy: 1.3646845201553834
Energy: 1.0663897947926495
Energy: 1.3497328449920523
Energy: 1.0531965889168045
Energy: 1.3497328449909667
Energy: 1.0663897947926495
Energy: 1.3497328449920523
Energy: 1.0653759742112792
Energy: 1.3826822008465076
Energy: 1.0633861769022905
Energy: 1.3826822008465076
Energy: 1.0653759742101936
Energy: 1.3826822008475927
Energy: 1.4672008840624096
Energy: 1.3605745812136467
Energy: 1.0754932833574093
Energy: 1.3605745812136467
Energy: 1.4672008840624096
Energy: 1.3605745812136467
Energy: 1.4657002414738907
Energy: 1.3578035588044892
Energy: 1.3961491305819014
Energy: 1.3578035588044892
Energy: 1.4657002414738907
Energy: 1.3578035588034036
Energy: 1.0663620699447451
Energy: 1.2963274940910197
Energy: 1.0530556551637915
Energy: 1.2963274940942764
Energy: 1.0663620699447451
Energy: 1.2963274940921052
Energy: 1.0656586710840261
Energy: 1.3467467823864696
Energy: 1.064867823741146
Energy: 1.3467467823864696
Energy: 1.0656586710840261
Energy: 1.3467467823864696
Energy: 1.0536921229320777
Energy: 1.3603092612970198
Energy: 1.0543868479514977
Energy: 1.3603092612970198
Energy: 1.0536921229320777
Energy: 1.3603092612970198
Energy: 1.4687249609871948
Energy: 1.1933395155287627
Energy: 1.0982060329183785
Energy: 1.1933395155287627
Energy: 1.4687249609915374
Energy: 1.193339515527677
Energy: 1.0575376671889187
Energy: 1.2986119869903745
Energy: 1.0779023463377262
Energy: 1.2986119869882036
Energy: 1.0575376671412031
Energy: 1.2986119869882036
Energy: 1.716412162207838
Energy: 1.3118257363087944
Energy: 1.0642009874737282
Energy: 1.3118257363098802
Energy: 1.7164121622067525
Energy: 1.3118257363098802
Energy: 1.2365411992429727
Energy: 1.3599971691957373
Energy: 1.2726573443626235
Energy: 1.3599971691957373
Energy: 1.2365411992440583
Energy: 1.3599971691957373
Energy: 1.7289348074644022
Energy: 1.3100389659243779
Energy: 1.0692112960074784
Energy: 1.3100389659222067
Energy: 1.7289348074644022
Energy: 1.3100389659243779
Energy: 1.0560982138800883
Energy: 1.298513376042124
Energy: 1.0837924466454283
Energy: 1.2985133760432097
Energy: 1.0560982138822594
Energy: 1.298513376042124
Energy: 1.2519997088676564
Energy: 1.2849857111226937
Energy: 1.0523168706234396
Energy: 1.284985711121608
Energy: 1.2519997088665709
Energy: 1.284985711121608
Energy: 1.0533133904823218
Energy: 1.3647084466554402
Energy: 1.0711323710764946
Energy: 1.364708446656526
Energy: 1.0533133904823218
Energy: 1.3647084466554402
Energy: 1.5115364902777784
Energy: 1.3468573167566855
Energy: 1.0576174408748755
Energy: 1.3468573167566855
Energy: 1.5115364902777784
Energy: 1.3468573167566855
Energy: 1.0664656200462137
Energy: 1.3767732104991008
Energy: 1.0611505713398972
Energy: 1.3767732104991008
Energy: 1.0664656200462137
Energy: 1.3767732104991008
Energy: 1.4706128547193398
Energy: 1.357630171543692
Energy: 1.0743169891047935
Energy: 1.357630171543692
Energy: 1.4706128547193398
Energy: 1.357630171543692
Energy: 1.0541626310455618
Energy: 1.3654123592080083
Energy: 1.4772466990806508
Energy: 1.3654123592069227
Energy: 1.0541626310455618
Energy: 1.3654123592080083
Energy: 1.0679145012864577
Energy: 1.2931321440219594
Energy: 1.056735620929798
Energy: 1.2931321440208738
Energy: 1.0679145012864577
Energy: 1.2931321440219594
Energy: 1.0665712238473748
Energy: 1.345208354438447
Energy: 1.0607791479397866
Energy: 1.345208354438447
Energy: 1.0665712238473748
Energy: 1.345208354438447

minimum gb energy = 1.0523168706234396 eV
minimum distance =  2.2388409848024 Angstroms
sigma value = 41


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

Energy: 1.5367988495117255
Energy: 1.2958415019894436
Energy: 1.2845810092875842
Energy: 1.2958415019894436
Energy: 1.5367988495134368
Energy: 1.2958415019894436
Energy: 1.939795911068797
Energy: 1.19313946889524
Energy: 0.9831942384358794
Energy: 1.1931394688943844
Energy: 1.9397959110679415
Energy: 1.1931394688943844
Energy: 1.1245381166276032
Energy: 1.2516007894918
Energy: 1.0148822674334095
Energy: 1.2516007894926555
Energy: 1.1245381166276032
Energy: 1.2516007894918
Energy: 1.4949487731130862
Energy: 1.167659317750288
Energy: 0.9830564349743885
Energy: 1.1676593177511438
Energy: 1.4949487731122306
Energy: 1.1676593177511438
Energy: 1.1040860195244975
Energy: 1.1796857353634853
Energy: 0.9953376036809981
Energy: 1.1796857353634853
Energy: 1.1040860195236415
Energy: 1.1796857353634853
Energy: 1.2920492569989144
Energy: 1.230810317712053
Energy: 0.9841898367811831
Energy: 1.230810317712053
Energy: 1.2920492569989144
Energy: 1.230810317712053
Energy: 0.9833282980386853
Energy: 1.2394372019572393
Energy: 0.9850717597566298
Energy: 1.2394372019580948
Energy: 0.9833282980395409
Energy: 1.2394372019572393
Energy: 1.3391798788078937
Energy: 1.2394554702805636
Energy: 1.0026989204813646
Energy: 1.2394554702788523
Energy: 1.3391798788078937
Energy: 1.2394554702788523
Energy: 0.9986469566989501
Energy: 1.1805766383341219
Energy: 1.293786469316055
Energy: 1.1805766383418224
Energy: 0.9986469566998057
Energy: 1.1805766383426781
Energy: 1.3039293862044579
Energy: 1.2394465688366239
Energy: 1.2935098581027307
Energy: 1.2394465688374796
Energy: 1.3039293862036025
Energy: 1.2394465688366239
Energy: 1.2973598668874684
Energy: 1.2969844522252947
Energy: 1.2974061655662406
Energy: 1.2969844522252947
Energy: 1.2973598668866126
Energy: 1.2969844522244387
Energy: 0.9946262832230545
Energy: 1.2394628008364348
Energy: 1.0043500732317447
Energy: 1.2394628008364348
Energy: 0.9946262832239101
Energy: 1.2394628008364348
Energy: 0.9985502324429404
Energy: 1.231035679850137
Energy: 1.278638497960429
Energy: 1.231035679850137
Energy: 0.9985502324429404
Energy: 1.231035679850137
Energy: 0.9823149633458835
Energy: 1.2394750595028752
Energy: 0.9826448540330512
Energy: 1.2394750595028752
Energy: 0.9823149633458835
Energy: 1.2394750595028752
Energy: 1.3002457324466854
Energy: 1.2313181913667581
Energy: 0.9843133388709919
Energy: 1.2313181913667581
Energy: 1.3002457324458299
Energy: 1.2313181913667581
Energy: 0.985923653151386
Energy: 1.2403002101103484
Energy: 0.9828566306002923
Energy: 1.2403002101103484
Energy: 0.985923653151386
Energy: 1.2403002101103484
Energy: 1.2789131442359445
Energy: 1.2573573632669326
Energy: 0.996413254160144
Energy: 1.2573573632669326
Energy: 1.2789131442359445
Energy: 1.2573573632669326
Energy: 1.005461727590662
Energy: 1.239408564708688
Energy: 0.994291361567605
Energy: 1.239408564708688
Energy: 1.0054617275932287
Energy: 1.239408564708688
Energy: 1.7094331561721323
Energy: 1.1967843297011662
Energy: 0.9844239218089503
Energy: 1.1967843297062999
Energy: 1.7094331561712766
Energy: 1.1967843297045888
Energy: 1.2939709352719249
Energy: 1.239412258839121
Energy: 1.2964334212802067
Energy: 1.2394122588399765
Energy: 1.2939709352753472
Energy: 1.2394122588382657
Energy: 1.6950570622355303
Energy: 1.1936869788176054
Energy: 0.9960328614961942
Energy: 1.19368697881675
Energy: 1.6950570622355303
Energy: 1.1936869788184612
Energy: 1.0067264806372105
Energy: 1.2398719063342503
Energy: 0.9957521114909487
Energy: 1.2398719063342503
Energy: 1.0067264806337881
Energy: 1.2398719063351058
Energy: 1.513033487294758
Energy: 1.1681971503914579
Energy: 0.9846333697296497
Energy: 1.1681971503914579
Energy: 1.513033487294758
Energy: 1.1681971503914579
Energy: 0.9856667087720854
Energy: 1.2305832507336598
Energy: 1.1442048891506982
Energy: 1.2305832507328043
Energy: 0.9856667087720854
Energy: 1.2305832507328043
Energy: 1.1433199247031403
Energy: 1.230300831211684
Energy: 0.9830459362191372
Energy: 1.2303008312108286
Energy: 1.1433199247031403
Energy: 1.230300831211684
Energy: 0.9821786587551988
Energy: 1.1676456881863906
Energy: 1.13040741804726
Energy: 1.1676456881872466
Energy: 0.9821786587551988
Energy: 1.1676456881863906
Energy: 1.3400835986678232
Energy: 1.239341303068275
Energy: 1.0035612886566923
Energy: 1.239341303068275
Energy: 1.3400835986678232
Energy: 1.2393413030691307
Energy: 0.9948944780379767
Energy: 1.242697654784643
Energy: 1.4855661591572218
Energy: 1.242697654784643
Energy: 0.9948944780379767
Energy: 1.242697654784643
Energy: 1.305233763657452
Energy: 1.2391439763142966
Energy: 1.2924979836157247
Energy: 1.2391439763142966
Energy: 1.3052337636600189
Energy: 1.2391439763142966
Energy: 0.9824667718672485
Energy: 1.209274538302178
Energy: 1.293034695628225
Energy: 1.209274538302178
Energy: 0.9824667718672485
Energy: 1.209274538302178
Energy: 0.9954388567898896
Energy: 1.2393283524388166
Energy: 1.003662672731354
Energy: 1.2393283524388166
Energy: 0.9954388567898896
Energy: 1.2393283524388166
Energy: 0.9950209779061115
Energy: 1.29907562854107
Energy: 1.2821302807796042
Energy: 1.2990756285402145
Energy: 0.9950209779061115
Energy: 1.29907562854107
Energy: 0.9846995839756066
Energy: 1.2393601879874447
Energy: 0.9850365723803209
Energy: 1.2393601879883005
Energy: 0.9846995839756066
Energy: 1.2393601879883005

minimum gb energy = 0.9821786587551988 eV
minimum distance =  2.23504381965323 Angstroms
sigma value = 33


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

Energy: 1.2708152719562331
Energy: 1.1224288449347133
Energy: 0.9123284739974826
Energy: 1.122428844935314
Energy: 1.2708152719520298
Energy: 1.1224288449347133
Energy: 1.8457526794580459
Energy: 1.0309100741386483
Energy: 0.8861854248228218
Energy: 1.0309100741368469
Energy: 1.8457526794580459
Energy: 1.0309100741350454
Energy: 1.2632576357454954
Energy: 1.120457065492739
Energy: 1.0356662702066985
Energy: 1.120457065492739
Energy: 1.263257635746096
Energy: 1.1204570654921386
Energy: 1.7047102604655326
Energy: 1.014671194980551
Energy: 0.8862199630988551
Energy: 1.0146711949787495
Energy: 1.7047102604655326
Energy: 1.0146711949781488
Energy: 0.9423609862249488
Energy: 1.0948601813697854
Energy: 0.8874351886482036
Energy: 1.094860181370386
Energy: 1.6085541324401966
Energy: 1.094860181370386
Energy: 1.3669278905848747
Energy: 1.0657412306153837
Energy: 0.8861369434214457
Energy: 1.0657412306153837
Energy: 1.3669278905854751
Energy: 1.0657412306159844
Energy: 0.9232073433840646
Energy: 1.0797076356048814
Energy: 0.8834912793494898
Energy: 1.079707635604281
Energy: 0.9232073433852657
Energy: 1.079707635604281
Energy: 1.225860358853141
Energy: 1.0692530696383455
Energy: 0.8944486088496447
Energy: 1.0692530696389464
Energy: 1.2258603588513395
Energy: 1.0692530696383455
Energy: 0.901753552061097
Energy: 1.094346954728884
Energy: 1.1094495620097258
Energy: 1.0943469547294846
Energy: 0.9017535520616975
Energy: 1.094346954728884
Energy: 1.0855011604292761
Energy: 1.0980190382038297
Energy: 1.0963850966072364
Energy: 1.0980190382044306
Energy: 1.0855011604298763
Energy: 1.0980190382038297
Energy: 0.8958753370294259
Energy: 1.0798655019667849
Energy: 1.115753347692988
Energy: 1.0798655019661847
Energy: 0.8958753370288254
Energy: 1.0798655019667849
Energy: 1.386720892492607
Energy: 1.1138951040533909
Energy: 1.1126710426233952
Energy: 1.1138951040533909
Energy: 1.386720892493808
Energy: 1.1138951040533909
Energy: 1.0900615091525725
Energy: 1.094428301008716
Energy: 1.3926396213349579
Energy: 1.0944283010093163
Energy: 1.0900615091537738
Energy: 1.0944283010093163
Energy: 1.0980996670839906
Energy: 1.115032958086466
Energy: 1.3933738410921934
Energy: 1.1150329580858653
Energy: 1.0980996670845915
Energy: 1.115032958086466
Energy: 1.098317476075974
Energy: 1.0711797863774122
Energy: 1.3944415291940275
Energy: 1.0711797863774122
Energy: 1.0983174760753733
Energy: 1.0711797863762114
Energy: 1.0939352049225355
Energy: 1.1145552761500068
Energy: 1.1168602318195384
Energy: 1.1145552761500068
Energy: 1.0939352049225355
Energy: 1.1145552761506075
Energy: 1.0871957346491767
Energy: 1.0952510361391679
Energy: 1.3971723724353529
Energy: 1.095251036139768
Energy: 1.0871957346491767
Energy: 1.0952510361391679
Energy: 0.8830921097180301
Energy: 1.114113486687276
Energy: 1.1026509946711074
Energy: 1.114113486687276
Energy: 0.8830921097180301
Energy: 1.114113486687276
Energy: 1.09750625031937
Energy: 1.092711006912372
Energy: 1.1045955882108904
Energy: 1.0927110069117716
Energy: 1.0975062503199706
Energy: 1.0927110069117716
Energy: 0.8919183246317244
Energy: 1.114801185461131
Energy: 0.8951779731496616
Energy: 1.1148011854617315
Energy: 0.8919183246317244
Energy: 1.114801185461131
Energy: 1.0906246041544714
Energy: 1.0927481012043878
Energy: 1.083219952523979
Energy: 1.0927481012055886
Energy: 1.090624604153871
Energy: 1.0927481012043878
Energy: 0.8967329744387974
Energy: 1.1142883186668926
Energy: 0.886424809461248
Energy: 1.1142883186668926
Energy: 0.8967329744387974
Energy: 1.1142883186662924
Energy: 1.3747857426368448
Energy: 1.1036750002653999
Energy: 0.8831628683730508
Energy: 1.1036750002647995
Energy: 1.3747857426374455
Energy: 1.103675000266601
Energy: 0.9238541605418107
Energy: 1.114155260767962
Energy: 0.8861695947218712
Energy: 1.114155260769163
Energy: 0.9238541605424111
Energy: 1.114155260767962
Energy: 1.3703939893168298
Energy: 1.0945194118881774
Energy: 1.0916835988384188
Energy: 1.0945194118881774
Energy: 1.3703939893150285
Energy: 1.0945194118887778
Energy: 1.1244691487686702
Energy: 1.1142298120514644
Energy: 0.8903894759941362
Energy: 1.1142298120520648
Energy: 1.1244691487674694
Energy: 1.1142298120520648
Energy: 1.8463050413869146
Energy: 1.0444804317167447
Energy: 0.8831491489037486
Energy: 1.0444804317149432
Energy: 1.8463050413875153
Energy: 1.0444804317161442
Energy: 1.1408059866796738
Energy: 1.114169556402476
Energy: 1.10712772677214
Energy: 1.1141695564018756
Energy: 1.140805986676071
Energy: 1.1141695564030765
Energy: 1.5241289506053857
Energy: 1.0853415731818443
Energy: 1.0911781216021292
Energy: 1.0853415731830451
Energy: 1.5241289506065867
Energy: 1.0853415731806433
Energy: 1.1267965276726875
Energy: 1.1137260857087914
Energy: 1.10620615653984
Energy: 1.1137260857081912
Energy: 1.1267965276654814
Energy: 1.1137260857087914
Energy: 1.5306332762028805
Energy: 1.0157819227548248
Energy: 0.8830254978114673
Energy: 1.0157819227506215
Energy: 1.5306332762028805
Energy: 1.0157819227518226
Energy: 0.9265651451825032
Energy: 1.097955961292363
Energy: 1.1150334588514645
Energy: 1.097955961292363
Energy: 0.9265651451831038
Energy: 1.0979559612917626
Energy: 1.2268761495372942
Energy: 1.0662929246322272
Energy: 0.8914811773245098
Energy: 1.0662929246322272
Energy: 1.2268761495372942
Energy: 1.0662929246322272
Energy: 0.9029108977264392
Energy: 1.068867074051864
Energy: 1.4065771453519176
Energy: 1.068867074051864
Energy: 0.9029108977264392
Energy: 1.0688670740512636
Energy: 1.4066829660852942
Energy: 1.0690088867664997
Energy: 0.9030266126408448
Energy: 1.069008886765299
Energy: 1.4066829660852942
Energy: 1.0690088867671004
Energy: 0.8914544241097472
Energy: 1.0657601592432395
Energy: 1.2265764841365456
Energy: 1.0657601592432395
Energy: 0.8914544241103476
Energy: 1.0657601592432395
Energy: 1.115354444283198
Energy: 1.0979386834012048
Energy: 0.9236987346543879
Energy: 1.0979386834012048
Energy: 1.115354444283198
Energy: 1.0979386834006042
Energy: 0.8830544749198631
Energy: 1.014451416816666
Energy: 1.5296544044071685
Energy: 1.0144514168172667
Energy: 0.8830544749198631
Energy: 1.014451416816666
Energy: 1.1062061565374381
Energy: 1.1137094306131523
Energy: 1.126020595940054
Energy: 1.1137094306137527
Energy: 1.1062061565374381
Energy: 1.1137094306137527
Energy: 0.9954640442119531
Energy: 1.0850212396780055
Energy: 1.5238144004799883
Energy: 1.0850212396762042
Energy: 0.9954640442101517
Energy: 1.085021239677405
Energy: 1.1015311450444178
Energy: 1.1142051328940543
Energy: 1.143378683856408
Energy: 1.114205132893454
Energy: 1.1015311451518484
Energy: 1.1142051328946545
Energy: 0.8830812994796597
Energy: 1.0452486189070949
Energy: 1.8467094402797795
Energy: 1.0452486189076953
Energy: 0.8830812994802602
Energy: 1.0452486189070949
Energy: 0.8900148627508168
Energy: 1.1141684186631324
Energy: 1.1215793697626912
Energy: 1.1141684186643332
Energy: 0.8900148627496158
Energy: 1.1141684186631324
Energy: 0.9958622745898397
Energy: 1.0944863890039624
Energy: 1.372648922471441
Energy: 1.094486389004563
Energy: 0.995862274589239
Energy: 1.094486389004563
Energy: 0.8861188593173478
Energy: 1.1140996382779376
Energy: 0.9266724974665675
Energy: 1.1140996382791384
Energy: 0.8861188593173478
Energy: 1.1140996382779376
Energy: 0.8830915234873083
Energy: 1.1036750002660003
Energy: 1.3736420218645478
Energy: 1.1036750002653999
Energy: 0.883091523487909
Energy: 1.1036750002660003
Energy: 0.8863096437145896
Energy: 1.114308219053245
Energy: 0.9032451420175752
Energy: 1.1143082190520441
Energy: 0.8863096437151902
Energy: 1.114308219053245

minimum gb energy = 0.8830254978114673 eV
minimum distance =  2.23346668311808 Angstroms
sigma value = 67


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

Energy: 0.3398252904526001
Energy: 0.2942817064258288
Energy: 1.0366392601942334
Energy: 0.2942817064258288
Energy: 0.3398252904526001
Energy: 0.2942817064254411
Energy: 0.2781358566574428
Energy: 0.7048521227368855
Energy: 0.7146869702222992
Energy: 0.7048521227368855
Energy: 0.2781358566574428
Energy: 0.7048521227368855
Energy: 0.3398252904526001
Energy: 0.2942817064258288
Energy: 1.0366392600726753
Energy: 0.2942817064258288
Energy: 0.3398252904526001
Energy: 0.2942817064254411
Energy: 0.2781358566578304
Energy: 0.7048521227372959
Energy: 0.714691307882977
Energy: 0.7048521227368855
Energy: 0.2781358566574428
Energy: 0.7048521227372959
Energy: 0.33982529045301063
Energy: 0.2942817064258288
Energy: 1.0366392598801344
Energy: 0.29428170642503065
Energy: 0.3398252904526001
Energy: 0.2942817064254411
Energy: 0.2781358566578304
Energy: 0.7048521227372959
Energy: 0.7146873617133388
Energy: 0.7048521227368855
Energy: 0.2781358566578304
Energy: 0.7048521227372959
Energy: 0.3398252904526001
Energy: 0.2942817064254411
Energy: 1.036639259414812
Energy: 0.2942817064258288
Energy: 0.3398252904526001
Energy: 0.2942817064258288

minimum gb energy = 0.2781358566574428 eV
minimum distance =  2.400581954721 Angstroms
sigma value = 3


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

Energy: 1.4961598676845187
Energy: 1.120144492311079
Energy: 1.2326337236581666
Energy: 1.120144492311079
Energy: 1.4961598676987178
Energy: 1.120144492311079
Energy: 1.885655389126114
Energy: 0.8778629888612611
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Energy: 1.4661984097642575
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Energy: 1.1516936404542788
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Energy: 0.9463843321290526
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Energy: 1.1454764246650635
Energy: 1.0827340791495668
Energy: 1.162172566054316
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Energy: 1.1454764246661557
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Energy: 0.9188321583396986
Energy: 1.0384081217634367
Energy: 1.446650620808662
Energy: 1.0384081217628907
Energy: 0.9188321583391523
Energy: 1.038408121763983
Energy: 0.9220003004180044
Energy: 1.0759992086083743
Energy: 1.1809179241807402
Energy: 1.0759992086083743
Energy: 0.9220003004180044
Energy: 1.0759992086083743
Energy: 0.8771554329465743
Energy: 1.010185852664115
Energy: 1.4486630046698596
Energy: 1.0101858526624767
Energy: 0.8771554329460282
Energy: 1.010185852663569
Energy: 0.9224003498887012
Energy: 1.0890304674660563
Energy: 1.4594785388553622
Energy: 1.08903046746551
Energy: 0.9224003498887012
Energy: 1.08903046746551
Energy: 0.8695265957601536
Energy: 0.9217301827322938
Energy: 1.6675170955932517
Energy: 0.9217301827317477
Energy: 0.8695265957606997
Energy: 0.92173018273284
Energy: 0.8671547534439491
Energy: 1.0978298513280242
Energy: 1.4040228436043791
Energy: 1.0978298513274782
Energy: 0.8671547534444951
Energy: 1.0978298513274782
Energy: 0.8584311948179839
Energy: 0.9222025551305798
Energy: 1.5265767714175167
Energy: 0.922202555126757
Energy: 0.8584311948179839
Energy: 0.9222025551256647
Energy: 0.924432520348767
Energy: 1.0910669869613985
Energy: 1.4576976058917863
Energy: 1.0910669869619445
Energy: 0.924432520348767
Energy: 1.0910669869624907
Energy: 0.8730803715094567
Energy: 0.9141169864727178
Energy: 1.6000891057084103
Energy: 0.9141169864727178
Energy: 0.873080371510003
Energy: 0.9141169864721717
Energy: 0.9164617089522301
Energy: 1.077937892481156
Energy: 1.1801483917226738
Energy: 1.07793789248061
Energy: 0.9164617089522301
Energy: 1.0779378924800638
Energy: 0.9284856495969324
Energy: 1.0372882924982598
Energy: 1.3246721499017093
Energy: 1.0372882924988058
Energy: 0.9284856495969324
Energy: 1.0372882924982598
Energy: 1.1752828807823739
Energy: 1.0670006479298344
Energy: 1.1615854372353376
Energy: 1.0670006479298344
Energy: 1.1752828807823739
Energy: 1.0670006479298344

minimum gb energy = 0.8530891141829858 eV
minimum distance =  2.26116494266681 Angstroms
sigma value = 81


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

Energy: 1.491685507303198
Energy: 1.266930248426104
Energy: 1.3497411048319772
Energy: 1.2669302484268534
Energy: 1.491685507303198
Energy: 1.2669302484268534
Energy: 1.7740739343489664
Energy: 0.9863853763985078
Energy: 0.9720265509322464
Energy: 0.9863853764007563
Energy: 1.7740739343489664
Energy: 0.9863853764000068
Energy: 1.4109686314995364
Energy: 1.2470828084290726
Energy: 1.0913512504487781
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Energy: 1.4109686314987868
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Energy: 1.3581473915395437
Energy: 1.0287126537406825
Energy: 0.9742173421538906
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Energy: 1.3581473915372952
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Energy: 1.0994761028592233
Energy: 1.2176115795239049
Energy: 1.0342814034327725
Energy: 1.2176115795231555
Energy: 1.0994761028592233
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Energy: 1.205895839594849
Energy: 1.1935209202869368
Energy: 1.042803129570263
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Energy: 1.205895839594849
Energy: 1.1935209202861872
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Energy: 0.9554097993904781
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Energy: 1.3732645657842233
Energy: 1.2278054882173235
Energy: 0.9554097993904781
Energy: 1.2278054882165739
Energy: 0.966170631295946
Energy: 1.1725512236367848
Energy: 1.7638613110811536
Energy: 1.1725512236360354
Energy: 0.966170631295946
Energy: 1.1725512236367848
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Energy: 1.2195013503345442
Energy: 1.3804275325675541
Energy: 1.2195013503345442
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Energy: 1.04358534978888
Energy: 1.1780085942871463
Energy: 1.358647406409388
Energy: 1.1780085942863967
Energy: 1.04358534978888
Energy: 1.1780085942871463
Energy: 1.04255399731366
Energy: 1.2279086471939964
Energy: 1.0868190680620016
Energy: 1.2279086471939964
Energy: 1.0425539973144093
Energy: 1.2279086471932468
Energy: 1.0427154534582286
Energy: 1.1928273397790912
Energy: 1.366308949428286
Energy: 1.1928273397790912
Energy: 1.0427154534582286
Energy: 1.1928273397783415
Energy: 1.3574947940953623
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Energy: 1.357607733844972
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Energy: 1.2259224514590286
Energy: 1.377854489459207
Energy: 1.227786382285984
Energy: 0.9743808161096458
Energy: 1.227786382285984
Energy: 1.377854489459207
Energy: 1.227786382285984
Energy: 1.3774991578809528
Energy: 1.2168647079631318
Energy: 1.2025005293968214
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Energy: 1.3774991578824518
Energy: 1.2168647079631318
Energy: 1.7646821214625894
Energy: 1.1723178963197913
Energy: 0.9614914360798068
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Energy: 1.7646821214625894
Energy: 1.1723178963197913
Energy: 1.76467450507789
Energy: 1.214965820201533
Energy: 0.9604031436374716
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Energy: 1.228450720636634
Energy: 1.1264733433428278
Energy: 1.2284507206358841
Energy: 1.3776062005925087
Energy: 1.2284507206403816
Energy: 1.377632974084392
Energy: 1.2280275947387713
Energy: 0.9781911701814152
Energy: 1.2280275947387713
Energy: 1.377632974084392
Energy: 1.2280275947387713
Energy: 1.3575928083553683
Energy: 1.226087638561686
Energy: 1.033056594098335
Energy: 1.2260876385624353
Energy: 1.3575928083553683
Energy: 1.2260876385624353
Energy: 1.3575070631628892
Energy: 1.2070960813953906
Energy: 1.0431833444361798
Energy: 1.2070960813961402
Energy: 1.3575070631621398
Energy: 1.2070960813953906
Energy: 1.042659286719688
Energy: 1.1939585221766165
Energy: 1.1977212090937512
Energy: 1.1939585221766165
Energy: 1.0426592867189386
Energy: 1.1939585221766165
Energy: 1.042713517416302
Energy: 1.227948692707255
Energy: 1.08688576057656
Energy: 1.227948692707255
Energy: 1.042713517416302
Energy: 1.2279486927065055
Energy: 1.0431686571491599
Energy: 1.1780085942878957
Energy: 1.3581354814558486
Energy: 1.1780085942871463
Energy: 1.0431686571499093
Energy: 1.1780085942871463
Energy: 1.0432483250628368
Energy: 1.2192995803995068
Energy: 1.3865504473200336
Energy: 1.219299580401006
Energy: 1.0432483250628368
Energy: 1.2192995803987574
Energy: 0.9682366902440143
Energy: 1.1892398856513038
Energy: 1.5039907047829317
Energy: 1.1892398856513038
Energy: 0.9682366902440143
Energy: 1.1892398856513038
Energy: 0.9618529543536474
Energy: 1.2279217249545824
Energy: 1.3727817183164535
Energy: 1.2279217249545824
Energy: 0.9618529543551465
Energy: 1.2279217249545824
Energy: 0.9687223488360028
Energy: 1.0327318447045002
Energy: 1.495875674258938
Energy: 1.032731844703001
Energy: 0.9687223488367523
Energy: 1.0327318447037506
Energy: 1.0556598599326177
Energy: 1.229604872689652
Energy: 1.3789851992672715
Energy: 1.229604872689652
Energy: 1.0556598599326177
Energy: 1.229604872689652
Energy: 0.9744437674738071
Energy: 1.0797734158941046
Energy: 1.416069196432645
Energy: 1.079773415894854
Energy: 0.9744437674738071
Energy: 1.0797734158941046
Energy: 1.0330342361014804
Energy: 1.194808361395825
Energy: 1.0866170800021944
Energy: 1.1948083613965748
Energy: 1.033034236103729
Energy: 1.1948083613965748
Energy: 1.0592920755431443
Energy: 1.2241856930440818
Energy: 1.2090819790933318
Energy: 1.2241856930440818
Energy: 1.0592920755438937
Energy: 1.2241856930448312

minimum gb energy = 0.9554097993904781 eV
minimum distance =  2.18040291373148 Angstroms
sigma value = 43


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

Energy: 1.5305326807420188
Energy: 1.3495235865460866
Energy: 1.179134793477273
Energy: 1.3495235865460866
Energy: 1.5305326807420188
Energy: 1.3495235865470074
Energy: 1.6755154327785067
Energy: 1.0780145138718151
Energy: 1.0402288544773741
Energy: 1.0780145138718151
Energy: 1.6755154327794275
Energy: 1.0780145138708945
Energy: 1.0934958264024657
Energy: 1.3193452225232258
Energy: 1.2331765049315402
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Energy: 1.0934958264024657
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Energy: 1.2159494618805569
Energy: 1.0392872002260785
Energy: 1.040770101040903
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Energy: 1.215949461879636
Energy: 1.0392872002260785
Energy: 1.0481795960440141
Energy: 1.3239753124957292
Energy: 1.1462184885813624
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Energy: 1.0481795960440141
Energy: 1.3239753124948086
Energy: 1.0237099420055211
Energy: 1.2970310380638046
Energy: 1.0332473058210931
Energy: 1.297031038062884
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Energy: 1.1832308930669986
Energy: 1.236030280205143
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Energy: 1.1832308930669986
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Energy: 1.290090944646538
Energy: 1.0743708769414357
Energy: 1.2900909446483793
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Energy: 1.2900909446483793
Energy: 1.0428302571242474
Energy: 1.1929127577185
Energy: 1.566519608949075
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Energy: 1.0428302571242474
Energy: 1.1929127577185
Energy: 1.033464319032467
Energy: 1.3128055087261605
Energy: 1.43823297223643
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Energy: 1.033464319032467
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Energy: 1.0330035739548005
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Energy: 1.4051641073503045
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Energy: 1.0330035739548005
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Energy: 1.0406538200307787
Energy: 1.2904632454868716
Energy: 1.0742781890265702
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Energy: 1.0406538200307787
Energy: 1.2904632454877922
Energy: 1.0431766079648541
Energy: 1.0247472063066745
Energy: 1.3271910040042105
Energy: 1.024747206305754
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Energy: 1.0247472063066745
Energy: 1.0316247282481363
Energy: 1.3136628499999183
Energy: 1.0333525083615074
Energy: 1.3136628499999183
Energy: 1.0316247282481363
Energy: 1.3136628499999183
Energy: 1.0331625356483745
Energy: 1.2969058680872203
Energy: 1.023675706457084
Energy: 1.2969058680872203
Energy: 1.0331625356492948
Energy: 1.2969058680872203
Energy: 1.4045870859181844
Energy: 1.1759672322402996
Energy: 1.040909376911843
Energy: 1.17596723224122
Energy: 1.4045870859181844
Energy: 1.175967232238458
Energy: 1.4055601716339536
Energy: 1.290113842908354
Energy: 1.3355317604439425
Energy: 1.290113842908354
Energy: 1.4055601716339536
Energy: 1.290113842908354
Energy: 1.4380584731487305
Energy: 1.3216029830977445
Energy: 1.0334120057381126
Energy: 1.3216029830977445
Energy: 1.4380584731487305
Energy: 1.3216029830977445
Energy: 1.438894439419257
Energy: 1.3229008121055188
Energy: 1.0337818397198872
Energy: 1.3229008121055188
Energy: 1.4388944394183365
Energy: 1.3229008121055188
Energy: 1.40462307076975
Energy: 1.338535222643508
Energy: 1.0325940937525195
Energy: 1.338535222643508
Energy: 1.40462307076975
Energy: 1.338535222643508
Energy: 1.4055268777335979
Energy: 1.3561418331708261
Energy: 1.032548257834623
Energy: 1.3561418331708261
Energy: 1.4055268777335979
Energy: 1.3561418331708261
Energy: 1.0316421358079382
Energy: 1.2971748153837506
Energy: 1.025145746784183
Energy: 1.2971748153837506
Energy: 1.0316421358079382
Energy: 1.2971748153837506
Energy: 1.033151708080346
Energy: 1.3131481993076481
Energy: 1.031923454488206
Energy: 1.3131481993076481
Energy: 1.033151708080346
Energy: 1.3131481993076481
Energy: 1.0409987920086263
Energy: 1.3227683126982417
Energy: 1.0313198004741282
Energy: 1.3227683126982417
Energy: 1.0409987920086263
Energy: 1.3227683126982417
Energy: 1.0430737014918428
Energy: 1.3561800695944577
Energy: 1.0762750751103756
Energy: 1.3561800695944577
Energy: 1.0430737014918428
Energy: 1.3561800695944577
Energy: 1.0338364028474696
Energy: 1.3256755665701923
Energy: 1.4047871023242369
Energy: 1.3256755665701923
Energy: 1.0338364028474696
Energy: 1.3256755665701923
Energy: 1.0332861234792547
Energy: 1.3232400386058065
Energy: 1.4381374056009832
Energy: 1.3232400386058065
Energy: 1.0332861234792547
Energy: 1.3232400386058065
Energy: 1.0437930437945337
Energy: 1.3284227226715968
Energy: 1.2960968461816964
Energy: 1.3284227226715968
Energy: 1.0437930437954548
Energy: 1.3284227226706757
Energy: 1.0605457685268795
Energy: 1.2899795314181766
Energy: 1.0762669869562063
Energy: 1.2899795314172557
Energy: 1.0605457685268795
Energy: 1.2899795314172557
Energy: 1.0335562745750142
Energy: 1.177564087061763
Energy: 1.224924863773941
Energy: 1.177564087061763
Energy: 1.0335562745750142
Energy: 1.1775640870626836
Energy: 1.0461531716597514
Energy: 1.2973261205554092
Energy: 1.0316518482899701
Energy: 1.2973261205554092
Energy: 1.0461531716597514
Energy: 1.2973261205554092

minimum gb energy = 1.023675706457084 eV
minimum distance =  2.23091805536394 Angstroms
sigma value = 57


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

Energy: 1.2070463914247924
Energy: 1.4583188911514036
Energy: 1.5842733504895448
Energy: 1.4583188911514036
Energy: 1.2070463914247924
Energy: 1.4583188911514036
Energy: 1.4097636421049071
Energy: 1.2019325408243113
Energy: 1.1206178055130875
Energy: 1.2019325408243113
Energy: 1.4097636421049071
Energy: 1.2019325408290797
Energy: 1.1366484609480614
Energy: 1.448317935182752
Energy: 1.3312479251960843
Energy: 1.448317935182752
Energy: 1.1366484609480614
Energy: 1.448317935182752
Energy: 1.144036587915323
Energy: 1.134333694093644
Energy: 1.1240627337629006
Energy: 1.1343336940948363
Energy: 1.144036587915323
Energy: 1.134333694093644
Energy: 1.120345164904414
Energy: 1.1477312524832817
Energy: 1.126310865179443
Energy: 1.1477312524820895
Energy: 1.120345164904414
Energy: 1.1477312524820895
Energy: 1.1539655632403465
Energy: 1.4350761778692418
Energy: 1.1241960102780992
Energy: 1.4350761778692418
Energy: 1.1539655632403465
Energy: 1.4350761778692418
Energy: 1.1344535804508211
Energy: 1.3163939060518977
Energy: 1.4090272411108107
Energy: 1.3163939060518977
Energy: 1.1344535804508211
Energy: 1.3163939060518977
Energy: 1.1324642997850207
Energy: 1.4451209716997617
Energy: 1.1859695645711743
Energy: 1.4451209716997617
Energy: 1.1324642997850207
Energy: 1.4451209716997617
Energy: 1.1206297222298034
Energy: 1.1975299553685372
Energy: 1.4043465271092548
Energy: 1.1975299553697292
Energy: 1.1206297222298034
Energy: 1.1975299553685372
Energy: 1.139790045262938
Energy: 1.4343899387410062
Energy: 1.1241700131219647
Energy: 1.4343899387410062
Energy: 1.139790045262938
Energy: 1.4343899387410062
Energy: 1.1339571257408323
Energy: 1.132485911444231
Energy: 1.1260948505740906
Energy: 1.132485911445423
Energy: 1.1339571257396401
Energy: 1.132485911444231
Energy: 1.120992467033995
Energy: 1.306665015267474
Energy: 1.1239934863054615
Energy: 1.306665015267474
Energy: 1.120992467033995
Energy: 1.3066650152686659
Energy: 1.120835644397845
Energy: 1.435065128490131
Energy: 1.1798947409871758
Energy: 1.435065128490131
Energy: 1.120835644397845
Energy: 1.4350651284913234
Energy: 1.3923206575015206
Energy: 1.303479371446187
Energy: 1.1309670505360143
Energy: 1.303479371446187
Energy: 1.3923206575015206
Energy: 1.303479371446187
Energy: 1.6475988145289568
Energy: 1.4420223726885621
Energy: 1.1314414986525843
Energy: 1.4420223726885621
Energy: 1.6475988145289568
Energy: 1.4420223726885621
Energy: 1.1212323666649888
Energy: 1.4665026371857095
Energy: 1.1208606456589052
Energy: 1.4665026371845176
Energy: 1.1212323666649888
Energy: 1.4665026371857095
Energy: 1.1210961092815834
Energy: 1.3163594507430658
Energy: 1.1333053302710332
Energy: 1.3163594507430658
Energy: 1.1210961092815834
Energy: 1.3163594507430658
Energy: 1.1321429015304523
Energy: 1.3301576857113753
Energy: 1.132017805629274
Energy: 1.3301576857113753
Energy: 1.1321429015304523
Energy: 1.3301576857113753
Energy: 1.1332880401219523
Energy: 1.3167642197798999
Energy: 1.1211177510777288
Energy: 1.3167642197798999
Energy: 1.1332880401219523
Energy: 1.3167642197798999
Energy: 1.1207796151956484
Energy: 1.4666823583443553
Energy: 1.1214832416100788
Energy: 1.4666823583443553
Energy: 1.1207796151956484
Energy: 1.4666823583443553
Energy: 1.1318877674223897
Energy: 1.442169913692697
Energy: 1.6475814870185013
Energy: 1.442169913692697
Energy: 1.1318877674223897
Energy: 1.442169913692697
Energy: 1.1312692628875738
Energy: 1.3137292904272642
Energy: 1.3925318279428063
Energy: 1.313729290426072
Energy: 1.1312692628875738
Energy: 1.313729290426072
Energy: 1.1510282627494826
Energy: 1.435217904830769
Energy: 1.1207324586904952
Energy: 1.435217904830769
Energy: 1.1510282627494826
Energy: 1.435217904830769
Energy: 1.123994378676587
Energy: 1.3062912515190213
Energy: 1.1209913892501977
Energy: 1.3062912515190213
Energy: 1.123994378676587
Energy: 1.3062912515190213

minimum gb energy = 1.120345164904414 eV
minimum distance =  2.2224867232411 Angstroms
sigma value = 17


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

Energy: 1.241152180865216
Energy: 1.2414371621835367
Energy: 1.5966983520023086
Energy: 1.2414371621835367
Energy: 1.241152180865216
Energy: 1.2414371621852227
Energy: 1.2663364366749297
Energy: 1.2575649758713041
Energy: 1.241442072853654
Energy: 1.2575649758713041
Energy: 1.266336436673244
Energy: 1.2575649758713041
Energy: 1.2578402979206431
Energy: 1.2573246196022463
Energy: 1.4360753100955201
Energy: 1.2573246196005603
Energy: 1.2578402979223289
Energy: 1.2573246196022463
Energy: 1.254329963949874
Energy: 1.2511233787504814
Energy: 1.2406987661406759
Energy: 1.2511233787504814
Energy: 1.254329963949874
Energy: 1.2511233787521674
Energy: 1.241648002596067
Energy: 1.2565930129988196
Energy: 1.5053886880993679
Energy: 1.2565930130005054
Energy: 1.241648002596067
Energy: 1.2565930130005054
Energy: 1.243824854729807
Energy: 1.24150858445534
Energy: 1.225434622207812
Energy: 1.24150858445534
Energy: 1.243824854729807
Energy: 1.24150858445534
Energy: 1.2462310613722296
Energy: 1.3812326264025554
Energy: 1.2651029923713992
Energy: 1.3812326264109847
Energy: 1.2462310613722296
Energy: 1.3812326264092987
Energy: 1.2459178760475358
Energy: 1.3539086007441896
Energy: 1.2404475339004177
Energy: 1.3539086007425039
Energy: 1.2459178760492216
Energy: 1.3539086007441896
Energy: 1.2416895512107005
Energy: 1.251516726128441
Energy: 1.3313822195783043
Energy: 1.2515167261267552
Energy: 1.2416895512107005
Energy: 1.251516726128441
Energy: 1.2255763385938576
Energy: 1.2147691418380826
Energy: 1.2485546242107588
Energy: 1.2147691418380826
Energy: 1.2255763385938576
Energy: 1.2147691418397684
Energy: 1.2264630768048124
Energy: 1.448360431454196
Energy: 1.2412826217219468
Energy: 1.448360431455882
Energy: 1.2264630768048124
Energy: 1.448360431455882
Energy: 1.248198015659466
Energy: 1.2491033266010863
Energy: 1.2422371569972963
Energy: 1.2491033266010863
Energy: 1.248198015659466
Energy: 1.2491033265994003
Energy: 1.241790016690579
Energy: 1.3554853587675186
Energy: 1.2429573701391865
Energy: 1.3554853587675186
Energy: 1.241790016690579
Energy: 1.3554853587675186
Energy: 1.245285597346559
Energy: 1.2502990116534118
Energy: 1.2524472949016723
Energy: 1.2502990116534118
Energy: 1.245285597346559
Energy: 1.2502990116534118
Energy: 1.2470606468787246
Energy: 1.4610011016123725
Energy: 1.225671219290567
Energy: 1.4610011016123725
Energy: 1.2470606468804106
Energy: 1.4610011016123725
Energy: 1.243506212418068
Energy: 1.4495479811439944
Energy: 1.2273428935143862
Energy: 1.4495479809737983
Energy: 1.243506212418068
Energy: 1.4495479809569396
Energy: 1.242097119346504
Energy: 1.2499019129485158
Energy: 1.2482631931084494
Energy: 1.2499019129485158
Energy: 1.242097119346504
Energy: 1.2499019129485158

minimum gb energy = 1.2147691418380826 eV
minimum distance =  2.23297213873865 Angstroms
sigma value = 17


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

Energy: 1.6842297502091494
Energy: 1.671170042549848
Energy: 1.7456854774638675
Energy: 1.671170042549848
Energy: 1.684229750223472
Energy: 1.671170042549848
Energy: 1.5046361893315503
Energy: 1.2911487602898464
Energy: 1.2761553975031277
Energy: 1.2911487602891951
Energy: 1.504636189327644
Energy: 1.2911487602898464
Energy: 1.2823984364556198
Energy: 1.3605301646843573
Energy: 1.3046436154661853
Energy: 1.3605301646843573
Energy: 1.2823984364556198
Energy: 1.3605301646843573
Energy: 1.3114339536688766
Energy: 1.5476666615319874
Energy: 1.3234786352201322
Energy: 1.5476666615313364
Energy: 1.3114339536714807
Energy: 1.5476666615313364
Energy: 1.2847298664461702
Energy: 1.3416065996445168
Energy: 1.5187760014780576
Energy: 1.341606599643866
Energy: 1.2847298664461702
Energy: 1.3416065996393087
Energy: 1.3403265038439116
Energy: 1.5567316631543335
Energy: 1.3408581773394057
Energy: 1.5567316631530315
Energy: 1.3403265038439116
Energy: 1.5567316631523807
Energy: 1.2752710385735666
Energy: 1.3448037309593832
Energy: 1.508558890383691
Energy: 1.3448037309580811
Energy: 1.2752710385735666
Energy: 1.3448037309639402
Energy: 1.6009670118365267
Energy: 1.4218989754088043
Energy: 1.2787406578237281
Energy: 1.4218989754081532
Energy: 1.6009670118371777
Energy: 1.4218989754094553
Energy: 1.3505646615602218
Energy: 1.6218091378311645
Energy: 1.3015185921758374
Energy: 1.6218091378311645
Energy: 1.3505646615608728
Energy: 1.6218091378311645
Energy: 1.6011618847146774
Energy: 1.3415787221281548
Energy: 1.2757293199557653
Energy: 1.3415787221301079
Energy: 1.6011618847153284
Energy: 1.3415787221294566
Energy: 1.3199730852179712
Energy: 1.616829537588995
Energy: 1.3220819146332659
Energy: 1.616829537587693
Energy: 1.3199730852179712
Energy: 1.6168295375850887
Energy: 1.2971542121865185
Energy: 1.5650624422915747
Energy: 1.2753888810867196
Energy: 1.565062442292226
Energy: 1.2971542121858675
Energy: 1.565062442292226
Energy: 1.2795689753732906
Energy: 1.4194983463277997
Energy: 1.6650535352845974
Energy: 1.4194983463284505
Energy: 1.2795689753732906
Energy: 1.4194983463271487
Energy: 1.289920358333213
Energy: 1.5312233311686403
Energy: 1.6680905030634103
Energy: 1.5312233311731973
Energy: 1.289920358333213
Energy: 1.5312233311699421
Energy: 1.2895704658615728
Energy: 1.6406827621841131
Energy: 1.3248432086594133
Energy: 1.6406827621841131
Energy: 1.2895704658615728
Energy: 1.6406827621841131
Energy: 1.321652997528312
Energy: 1.6140597365784646
Energy: 1.275470327734767
Energy: 1.6140597365784646
Energy: 1.321652997528312
Energy: 1.6140597365784646
Energy: 1.3166222744906688
Energy: 1.6428397583265162
Energy: 1.2921357375340659
Energy: 1.6428397583265162
Energy: 1.3166222744906688
Energy: 1.6428397583265162
Energy: 1.6557100965499358
Energy: 1.5152306215553857
Energy: 1.2999284304147887
Energy: 1.5152306215547346
Energy: 1.6557100965492848
Energy: 1.5152306215547346
Energy: 1.6526359749493222
Energy: 1.5171215618568634
Energy: 1.2756371726691846
Energy: 1.5171215618581655
Energy: 1.6526359749493222
Energy: 1.5171215618568634
Energy: 1.2787250027940362
Energy: 1.6331735733071622
Energy: 1.2790859232783094
Energy: 1.6331735733078132
Energy: 1.2787250027946873
Energy: 1.6331735733071622
Energy: 1.2754206288054575
Energy: 1.5168134631066275
Energy: 1.6523495301891375
Energy: 1.5168134631072787
Energy: 1.2754206288054575
Energy: 1.5168134631085806
Energy: 1.2979179610424674
Energy: 1.513290809853546
Energy: 1.6556209342373405
Energy: 1.5132908098528948
Energy: 1.2979179610424674
Energy: 1.5132908098522437
Energy: 1.2924818681630688
Energy: 1.6430827025599586
Energy: 1.3166703801171284
Energy: 1.6430827025593078
Energy: 1.2924818681637196
Energy: 1.6430827025599586
Energy: 1.2755360580364519
Energy: 1.6144563890717567
Energy: 1.3223450837384731
Energy: 1.6144563890711057
Energy: 1.2755360580364519
Energy: 1.6144563890717567
Energy: 1.3223193528816357
Energy: 1.6408386915503275
Energy: 1.2895197078879101
Energy: 1.6408386915503275
Energy: 1.3223193528816357
Energy: 1.6408386915503275
Energy: 1.6684326015827202
Energy: 1.5304042476496817
Energy: 1.289882822955343
Energy: 1.5304042476314532
Energy: 1.6684326015827202
Energy: 1.5304042476347084
Energy: 1.6654112197030055
Energy: 1.41825109128687
Energy: 1.2795709608550563
Energy: 1.418251091284917
Energy: 1.6654112197030055
Energy: 1.41825109128687
Energy: 1.2754064764392854
Energy: 1.5580479690253335
Energy: 1.297744684845834
Energy: 1.5580479690246825
Energy: 1.2754064764392854
Energy: 1.5580479690253335
Energy: 1.3233470361625177
Energy: 1.6167294560350995
Energy: 1.3198910606525502
Energy: 1.6167294560331467
Energy: 1.3233470361625177
Energy: 1.6167294560350995
Energy: 1.2756607595584744
Energy: 1.3415787221294566
Energy: 1.6012601525100885
Energy: 1.3415787221275037
Energy: 1.2756607595584744
Energy: 1.3415787221268527
Energy: 1.2955122386604334
Energy: 1.6195295806752577
Energy: 1.3506535311053696
Energy: 1.6195295806759085
Energy: 1.2955122386610847
Energy: 1.6195295806752577
Energy: 1.2787830350595215
Energy: 1.4163192298546474
Energy: 1.6011428035025688
Energy: 1.4163192298539962
Energy: 1.2787830350601725
Energy: 1.4163192298539962
Energy: 1.5083120846543179
Energy: 1.338248615108117
Energy: 1.2755264650129634
Energy: 1.3382486150996538
Energy: 1.5083120846536668
Energy: 1.3382486151120232
Energy: 1.3436612624177076
Energy: 1.5579740746708413
Energy: 1.339968518406764
Energy: 1.5579740746688882
Energy: 1.3436612624177076
Energy: 1.5579740746695392
Energy: 1.5185481723265284
Energy: 1.3416065996419126
Energy: 1.2805969131057702
Energy: 1.3416065996419126
Energy: 1.5185481723284815
Energy: 1.3416065996419126
Energy: 1.324655441787615
Energy: 1.5659139553896424
Energy: 1.3092564180617423
Energy: 1.5659139553896424
Energy: 1.3246554417869638
Energy: 1.5659139553896424
Energy: 1.3003625766524027
Energy: 1.339107594824099
Energy: 1.282408775906052
Energy: 1.33910759482475
Energy: 1.300362576654356
Energy: 1.339107594824099
Energy: 1.2761162934764396
Energy: 1.291386178752025
Energy: 1.5151940693821075
Energy: 1.291386178752025
Energy: 1.2761162934764396
Energy: 1.291386178751374
Energy: 1.7456854774638675
Energy: 1.671170042549848
Energy: 1.684229750123244
Energy: 1.671170042549848
Energy: 1.7456854774638675
Energy: 1.671170042549848
Energy: 1.2761553975031277
Energy: 1.2911487602898464
Energy: 1.5046361893244184
Energy: 1.2911487602898464
Energy: 1.2761553975031277
Energy: 1.2911487602891951
Energy: 1.3046436153171606
Energy: 1.3605301646843573
Energy: 1.2823984364556198
Energy: 1.3605301646837062
Energy: 1.30464361532953
Energy: 1.3605301646837062
Energy: 1.3234786352285954
Energy: 1.5476666615319874
Energy: 1.3114339536649704
Energy: 1.5476666615319874
Energy: 1.3234786352233874
Energy: 1.5476666615319874
Energy: 1.5187760014787086
Energy: 1.3416065996445168
Energy: 1.2847298664461702
Energy: 1.341606599643866
Energy: 1.5187760014787086
Energy: 1.3416065996412616

minimum gb energy = 1.2752710385735666 eV
minimum distance =  2.20473334755016 Angstroms
sigma value = 57


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

Energy: 1.5472111127337946
Energy: 1.6989309558567596
Energy: 1.7484050948314274
Energy: 1.6989309558556993
Energy: 1.5472111127348542
Energy: 1.6989309558556993
Energy: 1.3947750055938293
Energy: 1.3142792147372706
Energy: 1.3166834249915762
Energy: 1.3142792147362106
Energy: 1.3947750055927692
Energy: 1.3142792147372706
Energy: 1.3042522499890012
Energy: 1.484876649347588
Energy: 1.48373490094094
Energy: 1.484876649349708
Energy: 1.3042522499900615
Energy: 1.484876649347588
Energy: 1.3657549188923124
Energy: 1.4781466431000618
Energy: 1.4986219652822763
Energy: 1.4781466431000618
Energy: 1.3657549188319396
Energy: 1.4781466430990016
Energy: 1.2684234653795299
Energy: 1.3717100019052464
Energy: 1.369606164223115
Energy: 1.3717100019052464
Energy: 1.2684234653795299
Energy: 1.3717100019063062
Energy: 1.5019657532499364
Energy: 1.479614220089331
Energy: 1.4995426841496022
Energy: 1.4796142200903912
Energy: 1.5019657532552368
Energy: 1.4796142200903912
Energy: 1.3022921003938643
Energy: 1.4832928157254366
Energy: 1.3235432710639239
Energy: 1.4832928157243768
Energy: 1.3022921003928043
Energy: 1.4832928157222567
Energy: 1.6293714934449404
Energy: 1.346662631231125
Energy: 1.3170780952666143
Energy: 1.3466626312290049
Energy: 1.6293714934449404
Energy: 1.346662631231125
Energy: 1.3859891273811347
Energy: 1.6754750961578433
Energy: 1.3280328480041033
Energy: 1.6754750961578433
Energy: 1.3859891273811347
Energy: 1.6754750961567833
Energy: 1.4867555584258927
Energy: 1.3153319614275758
Energy: 1.3143029868002905
Energy: 1.3153319614275758
Energy: 1.4867555584258927
Energy: 1.3153319614275758
Energy: 1.3026326463919542
Energy: 1.5962188116564549
Energy: 1.4972537856731367
Energy: 1.5962188116564549
Energy: 1.3026326463919542
Energy: 1.5962188116564549
Energy: 1.3490210914718317
Energy: 1.4688063204597819
Energy: 1.4891428433992477
Energy: 1.4688063204608421
Energy: 1.3490210914718317
Energy: 1.4688063204608421
Energy: 1.2730739862098692
Energy: 1.495632335243179
Energy: 1.4995447662135266
Energy: 1.495632335296132
Energy: 1.2730739862098692
Energy: 1.4956323352823517
Energy: 1.432895255157169
Energy: 1.5171348798822817
Energy: 1.4891260667139905
Energy: 1.5171348798801616
Energy: 1.432895255157169
Energy: 1.5171348798801616
Energy: 1.3044497176692502
Energy: 1.505700642717671
Energy: 1.3282768243203333
Energy: 1.505700642717671
Energy: 1.3044497176692502
Energy: 1.5057006427123707
Energy: 1.5136085800836085
Energy: 1.5641702045145982
Energy: 1.3102186409307934
Energy: 1.5641702045145982
Energy: 1.5136085800836085
Energy: 1.5641702045145982
Energy: 1.5379658830477454
Energy: 1.5566073268725442
Energy: 1.3262353098652007
Energy: 1.556607326873604
Energy: 1.5379658830477454
Energy: 1.5566073268725442
Energy: 1.4950077858527917
Energy: 1.5430490762303712
Energy: 1.3162579951291533
Energy: 1.5430490762314313
Energy: 1.4950077858527917
Energy: 1.5430490762314313
Energy: 1.3047124274006205
Energy: 1.6222861726844453
Energy: 1.487674344630844
Energy: 1.6222861726823254
Energy: 1.3047124274006205
Energy: 1.6222861726844453
Energy: 1.3459946163562386
Energy: 1.5004345739360794
Energy: 1.4862762504502902
Energy: 1.5004345739350193
Energy: 1.3459946163615388
Energy: 1.5004345739350193
Energy: 1.279981448878195
Energy: 1.493292113576383
Energy: 1.4878316755589702
Energy: 1.4932921138984845
Energy: 1.2799814488792551
Energy: 1.493292113879404
Energy: 1.3010782014467082
Energy: 1.4768333331953676
Energy: 1.486170103720773
Energy: 1.476833333147715
Energy: 1.3010782014467082
Energy: 1.4768333331159142
Energy: 1.3092269073506833
Energy: 1.5281842555561702
Energy: 1.3264844127963042
Energy: 1.52818425555193
Energy: 1.3092269073506833
Energy: 1.52818425555511
Energy: 1.3765164324669532
Energy: 1.6415491693902722
Energy: 1.3166816964441053
Energy: 1.641549169391332
Energy: 1.3765164324669532
Energy: 1.6415491693902722
Energy: 1.3765684275798775
Energy: 1.524542462319297
Energy: 1.3202345594398903
Energy: 1.524542462319297
Energy: 1.3765684275798775
Energy: 1.524542462319297
Energy: 1.3008230043321625
Energy: 1.5371793622523915
Energy: 1.325891491515259
Energy: 1.5371793622523915
Energy: 1.3008230043332225
Energy: 1.5371793622523915
Energy: 1.3088595255396418
Energy: 1.627354917070734
Energy: 1.486100554355487
Energy: 1.6273549170728543
Energy: 1.3088595255396418
Energy: 1.627354917071794

minimum gb energy = 1.2684234653795299 eV
minimum distance =  2.21427525745518 Angstroms
sigma value = 43


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

Energy: 1.445129164661618
Energy: 1.6319514608922268
Energy: 1.7771475206593157
Energy: 1.6319514608945087
Energy: 1.445129164661618
Energy: 1.6319514608937362
Energy: 1.3778434350077353
Energy: 1.3464150820106906
Energy: 1.311471906608313
Energy: 1.3464150820114626
Energy: 1.3778434350077353
Energy: 1.3464150820153244
Energy: 1.3140790198475805
Energy: 1.427492753652699
Energy: 1.4663037059218877
Energy: 1.4274927536588775
Energy: 1.3140790198475805
Energy: 1.4274927536465205
Energy: 1.4287456597134465
Energy: 1.6017827099924984
Energy: 1.3948445837618741
Energy: 1.6017827099924984
Energy: 1.4287456597134465
Energy: 1.6017827099909538
Energy: 1.3149804996583647
Energy: 1.3926540609726483
Energy: 1.4028389291551024
Energy: 1.3926540609664697
Energy: 1.3149804996575922
Energy: 1.392654060974193
Energy: 1.3964888810424179
Energy: 1.4088749173948851
Energy: 1.3118267212530212
Energy: 1.4088749173948851
Energy: 1.3964888810439626
Energy: 1.40887491739643
Energy: 1.3131029172433009
Energy: 1.4040871089508016
Energy: 1.3470280817856923
Energy: 1.4040871089453952
Energy: 1.3131029172433009
Energy: 1.40408710889909
Energy: 1.421303096696763
Energy: 1.3916148404450648
Energy: 1.3152896401871494
Energy: 1.3916148404450648
Energy: 1.4213030966959905
Energy: 1.3916148404435202
Energy: 1.39366749526776
Energy: 1.6021171101753993
Energy: 1.4099375163388725
Energy: 1.6021171101753993
Energy: 1.39366749526776
Energy: 1.6021171101753993
Energy: 1.5177919641816944
Energy: 1.4118954335714884
Energy: 1.3142831583842882
Energy: 1.411895433558359
Energy: 1.5177919641809219
Energy: 1.4118954335599034
Energy: 1.3127968059113353
Energy: 1.3658988120466646
Energy: 1.6087221561704774
Energy: 1.3658988120443478
Energy: 1.3127968059113353
Energy: 1.3658988120458924
Energy: 1.345059387751634
Energy: 1.5749707670325
Energy: 1.4334330947060823
Energy: 1.574970767044857
Energy: 1.3450593877531782
Energy: 1.5749707670402229
Energy: 1.3167669489615452
Energy: 1.3424230221215518
Energy: 1.4004851810257255
Energy: 1.342423022120007
Energy: 1.3167669489623175
Energy: 1.342423022120007
Energy: 1.399307136843324
Energy: 1.470586588547106
Energy: 1.3145187919441443
Energy: 1.4705865885494234
Energy: 1.399307136836373
Energy: 1.470586588547106
Energy: 1.3887393244141284
Energy: 1.6009546019084042
Energy: 1.3449629022269243
Energy: 1.6009546019084042
Energy: 1.3887393244149009
Energy: 1.6009546019084042
Energy: 1.3924999754417502
Energy: 1.5290024172880783
Energy: 1.3186367018274225
Energy: 1.5290024172842165
Energy: 1.3924999754425225
Energy: 1.5290024172826717
Energy: 1.31783532569714
Energy: 1.4825809550779179
Energy: 1.397980529990715
Energy: 1.482580955390573
Energy: 1.31783532569714
Energy: 1.4825809549899065
Energy: 1.3638037138364383
Energy: 1.3996355685035526
Energy: 1.3114898966229074
Energy: 1.3996355685352182
Energy: 1.3638037138364383
Energy: 1.3996355682078887
Energy: 1.3449952036814705
Energy: 1.4548190707987392
Energy: 1.3898811048326494
Energy: 1.4548190707964221
Energy: 1.3449952036814705
Energy: 1.45481907079565
Energy: 1.3229119589151004
Energy: 1.5657541256042202
Energy: 1.3888891792402744
Energy: 1.5657541256103988
Energy: 1.3229119589151004
Energy: 1.5657541256073098
Energy: 1.3207780561921076
Energy: 1.4187194900766213
Energy: 1.3485536462247194
Energy: 1.418719490092068
Energy: 1.3207780561921076
Energy: 1.4187194900974744
Energy: 1.7078499789817712
Energy: 1.4753340553843894
Energy: 1.3192124064655388
Energy: 1.4753340553797554
Energy: 1.7078499789802264
Energy: 1.4753340553828447
Energy: 1.8041159602136336
Energy: 1.5242409586647978
Energy: 1.3463599912465096
Energy: 1.5242409586655699
Energy: 1.8041159602136336
Energy: 1.5242409586647978
Energy: 1.3259036117528256
Energy: 1.5980397556188877
Energy: 1.3446098569204947
Energy: 1.5980397556212047
Energy: 1.3259036117528256
Energy: 1.5980397556212047
Energy: 1.3203080515998102
Energy: 1.5660713948480305
Energy: 1.3985171572784927
Energy: 1.5660713948472584
Energy: 1.3203080515998102
Energy: 1.5660713948480305
Energy: 1.3510070369205809
Energy: 1.5487350150145491
Energy: 1.394347792156182
Energy: 1.5487350150145491
Energy: 1.3510070369198086
Energy: 1.5487350150137769
Energy: 1.3587073594889183
Energy: 1.5227927447898328
Energy: 1.3889459115339728
Energy: 1.5227927447898328
Energy: 1.3587073594889183
Energy: 1.5227927447913774
Energy: 1.3852984783192155
Energy: 1.7121123918443149
Energy: 1.3852261395518362
Energy: 1.7121123918443149
Energy: 1.3852984783192155
Energy: 1.7121123918443149
Energy: 1.3887326595770477
Energy: 1.5231745564084913
Energy: 1.3606713781854491
Energy: 1.5231745566061388
Energy: 1.3887326595770477
Energy: 1.5231745563999954
Energy: 1.3944449822803477
Energy: 1.5496045544971622
Energy: 1.3514866963659105
Energy: 1.5496045544971622
Energy: 1.3944449822803477
Energy: 1.5496045544971622
Energy: 1.3973125848257881
Energy: 1.566109919115128
Energy: 1.3200085431533761
Energy: 1.566109919115128
Energy: 1.3973125848257881
Energy: 1.566109919115128
Energy: 1.3445731428265695
Energy: 1.4082826399528328
Energy: 1.3267154882539003
Energy: 1.4082826168116065
Energy: 1.3445731428273417
Energy: 1.4082827118160373
Energy: 1.3464285712471116
Energy: 1.51523227876822
Energy: 1.80413170594731
Energy: 1.5152322787705372
Energy: 1.346428571246339
Energy: 1.515232278769765
Energy: 1.3191826175355996
Energy: 1.4673735023703658
Energy: 1.7082075742588443
Energy: 1.467373502368821
Energy: 1.3191826175363717
Energy: 1.4673735023703658
Energy: 1.348771944074599
Energy: 1.4138542101424476
Energy: 1.3207526989304057
Energy: 1.4138542099417108
Energy: 1.348771944074599
Energy: 1.4138542111483436
Energy: 1.3887592831724764
Energy: 1.5664802104067495
Energy: 1.322525697843788
Energy: 1.5664802104137008
Energy: 1.388759283171704
Energy: 1.5664802104276025

minimum gb energy = 1.311471906608313 eV
minimum distance =  2.23712540990451 Angstroms
sigma value = 81


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

Energy: 1.3578205004811854
Energy: 1.3605555650951402
Energy: 2.185140014219708
Energy: 1.3605555650954306
Energy: 1.3578205004811854
Energy: 1.360555565095721
Energy: 1.5491387048317864
Energy: 1.360521934116456
Energy: 1.3578424291807243
Energy: 1.360521934116456
Energy: 1.5491387048317864
Energy: 1.360521934116456
Energy: 1.3578059670926714
Energy: 1.360829721906402
Energy: 1.5490462136803207
Energy: 1.3608297219061116
Energy: 1.3578059670926714
Energy: 1.3608297219058216
Energy: 2.185140014219708
Energy: 1.3605555650954306
Energy: 1.3578205004791857
Energy: 1.3605555650951402
Energy: 2.185140014219708
Energy: 1.360555565095721
Energy: 1.3578424291807243
Energy: 1.3605219341161658
Energy: 1.549138704832367
Energy: 1.3605219341167465
Energy: 1.357842429180434
Energy: 1.360521934116456
Energy: 1.5490462136800303
Energy: 1.360829721906402
Energy: 1.3578059670926714
Energy: 1.3608297219061116
Energy: 1.5490462136803207
Energy: 1.3608297219058216
Energy: 1.3578205004811854
Energy: 1.3605555650951402
Energy: 2.1851400142199986
Energy: 1.3605555650954306
Energy: 1.3578205004811854
Energy: 1.3605555650954306
Energy: 1.5491387048317864
Energy: 1.3605219341161658
Energy: 1.3578424291790154
Energy: 1.3605219341167465
Energy: 1.5491387048320766
Energy: 1.360521934116456
Energy: 1.3578059670929612
Energy: 1.3608297219058216
Energy: 1.5490462136805785
Energy: 1.360829721906402
Energy: 1.3578059670926714
Energy: 1.3608297219058216
Energy: 2.185140014219708
Energy: 1.3605555650954306
Energy: 1.3578205004791857
Energy: 1.3605555650960108
Energy: 2.185140014219708
Energy: 1.3605555650954306

minimum gb energy = 1.3578059670926714 eV
minimum distance =  2.23148395110204 Angstroms
sigma value = 3


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

Energy: 1.6644710889928127
Energy: 1.6782951693634034
Energy: 1.9278109368377299
Energy: 1.6782951693625543
Energy: 1.6644710889911145
Energy: 1.6782951693684987
Energy: 1.5528971570222294
Energy: 1.3617896272139483
Energy: 1.290745671683755
Energy: 1.361789627216496
Energy: 1.5528971570222294
Energy: 1.361789627216496
Energy: 1.328782488532133
Energy: 1.3481667605150092
Energy: 1.47360623120232
Energy: 1.348166760515858
Energy: 1.328782488532133
Energy: 1.348166760515858
Energy: 1.707597040790892
Energy: 1.657187869162247
Energy: 1.3471969030942494
Energy: 1.6571878691605486
Energy: 1.7075970407917411
Energy: 1.657187869157152
Energy: 1.3348991569240933
Energy: 1.3343300241460387
Energy: 1.6442966318083583
Energy: 1.3343300241468878
Energy: 1.3348991569249422
Energy: 1.3343300241468878
Energy: 1.481317978940383
Energy: 1.3881325764501915
Energy: 1.2900586833983592
Energy: 1.3881325764493422
Energy: 1.481317978945478
Energy: 1.3881325764501915
Energy: 1.3348666888820404
Energy: 1.3342186270765823
Energy: 1.4747879179888324
Energy: 1.3342186270757332
Energy: 1.3348666888820404
Energy: 1.3342186270757332
Energy: 1.3306873466609375
Energy: 1.7261799004923164
Energy: 1.3444785161861614
Energy: 1.7261799004923164
Energy: 1.330687346659239
Energy: 1.7261799004923164
Energy: 1.329770423900175
Energy: 1.5087629150943405
Energy: 1.6106640772278853
Energy: 1.5087629150934911
Energy: 1.329770423900175
Energy: 1.5087629150943405
Energy: 1.3285352310808456
Energy: 1.3516638551053737
Energy: 1.2926960952527682
Energy: 1.3516638551053737
Energy: 1.328535231079996
Energy: 1.3516638551045241
Energy: 1.6448813190644016
Energy: 1.5452581723078695
Energy: 1.3616686262318523
Energy: 1.5452581723070207
Energy: 1.6448813190644016
Energy: 1.5452581723078695
Energy: 1.6472144589631745
Energy: 1.3116053123702542
Energy: 1.2921986978939748
Energy: 1.3116053123490243
Energy: 1.6472144589631745
Energy: 1.311605312342269
Energy: 1.3309605154203052
Energy: 1.412725347943602
Energy: 1.2920112339503123
Energy: 1.412725347826451
Energy: 1.3309605154211546
Energy: 1.4127253476236075
Energy: 1.329235800839333
Energy: 1.4013641866410729
Energy: 1.3406349884095232
Energy: 1.4013641866461681
Energy: 1.3292358008384837
Energy: 1.401364186650414
Energy: 1.3319552153663
Energy: 1.341911462659974
Energy: 1.3406904840424898
Energy: 1.3419114626701645
Energy: 1.3319552153671492
Energy: 1.3419114626616724
Energy: 1.3304901680203047
Energy: 1.359205953062424
Energy: 1.2941213481041038
Energy: 1.3592059527542795
Energy: 1.3304901680203047
Energy: 1.3592059533000844
Energy: 1.331517476679328
Energy: 1.48094627713723
Energy: 1.2940872599123017
Energy: 1.4809462771380792
Energy: 1.331517476679328
Energy: 1.48094627713723
Energy: 1.3298486073061206
Energy: 1.4282078715698712
Energy: 1.340692881026295
Energy: 1.4282078715698712
Energy: 1.3298486073061206
Energy: 1.4282078715698712
Energy: 1.3290274474259012
Energy: 1.4022397852611623
Energy: 1.3411420531475806
Energy: 1.4022397852620119
Energy: 1.3290274474267505
Energy: 1.4022397852620119
Energy: 1.3290181105016998
Energy: 1.3477329335146095
Energy: 1.2923717039752303
Energy: 1.3477329335180066
Energy: 1.3290181105016998
Energy: 1.3477329335154589
Energy: 1.6464549188820072
Energy: 1.3164382849397982
Energy: 1.2921774059616349
Energy: 1.3164382849406475
Energy: 1.6464549188820072
Energy: 1.316438284912624
Energy: 1.6437312813599285
Energy: 1.549861678067436
Energy: 1.3553381935540025
Energy: 1.5498616780665868
Energy: 1.6437312813599285
Energy: 1.5498616780606422
Energy: 1.3285044980048042
Energy: 1.35359145259017
Energy: 1.2927158164590073
Energy: 1.3535914525935666
Energy: 1.3285044980048042
Energy: 1.3535914525935666
Energy: 1.3288318230008833
Energy: 1.5149452513313886
Energy: 1.6105837155602711
Energy: 1.5149452513313886
Energy: 1.3288318230000344
Energy: 1.5149452513305395
Energy: 1.3303330327887881
Energy: 1.4292383204842243
Energy: 1.3432849097590578
Energy: 1.4292383204850734
Energy: 1.3303330327887881
Energy: 1.4292383204850734
Energy: 1.333527144400936
Energy: 1.5214139735376515
Energy: 1.4246400461902722
Energy: 1.5214139735105157
Energy: 1.3335271444017853
Energy: 1.5214139735342547
Energy: 1.331449364317495
Energy: 1.5447075423064813
Energy: 1.2911664120417927
Energy: 1.5447075423064813
Energy: 1.331449364317495
Energy: 1.5447075423064813
Energy: 1.3333807434286225
Energy: 1.3938875871304943
Energy: 1.6106969273648724
Energy: 1.3938875871287961
Energy: 1.3333807434294715
Energy: 1.3938875871279468
Energy: 1.4313700051497402
Energy: 1.7170777783864979
Energy: 1.3471545671084633
Energy: 1.7170777783864979
Energy: 1.4313700051548353
Energy: 1.7170777783949895
Energy: 1.3274751199887727
Energy: 1.3515625724443538
Energy: 1.4674838935064822
Energy: 1.3515625724469014
Energy: 1.3274751199887727
Energy: 1.3515625724452032
Energy: 1.5530475315978698
Energy: 1.3550093992044123
Energy: 1.2899921755781432
Energy: 1.3550093992018648
Energy: 1.5530475315936239
Energy: 1.3550093992010157
Energy: 1.644511207080837
Energy: 1.7392332367444892
Energy: 1.3586098933003503
Energy: 1.739233236745338
Energy: 1.6445112070299233
Energy: 1.7392332367444892
Energy: 1.5525949372018315
Energy: 1.3603459953712835
Energy: 1.2890012404589952
Energy: 1.3603459953721324
Energy: 1.5525949372009824
Energy: 1.3603459953721324

minimum gb energy = 1.2890012404589952 eV
minimum distance =  2.19479897338771 Angstroms
sigma value = 67


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

Energy: 1.458216855225975
Energy: 1.7914212142933803
Energy: 1.7668474464277473
Energy: 1.7914212142933803
Energy: 1.458216855225975
Energy: 1.7914212142933803
Energy: 1.6110391674721591
Energy: 1.3974566516304046
Energy: 1.2855699403268717
Energy: 1.3974566516304046
Energy: 1.6110391674721591
Energy: 1.3974566516304046
Energy: 1.2894387529521265
Energy: 1.3743586956349887
Energy: 1.4615523210196482
Energy: 1.3743586956349887
Energy: 1.2894387529509166
Energy: 1.3743586956337788
Energy: 1.6040147778667233
Energy: 1.6417884035456978
Energy: 1.4033237978305155
Energy: 1.6417884035456978
Energy: 1.604014777865513
Energy: 1.6417884035456978
Energy: 1.3941410605315323
Energy: 1.6397730940499922
Energy: 1.5105881622365456
Energy: 1.6397730940584625
Energy: 1.3941410605303222
Energy: 1.6397730940439421
Energy: 1.3956486034530278
Energy: 1.4596749957384272
Energy: 1.2691099003983475
Energy: 1.459674995737217
Energy: 1.3956486034421376
Energy: 1.4596749957384272
Energy: 1.3895815492489303
Energy: 1.4044044995181757
Energy: 1.2890405096382822
Energy: 1.4044044995181757
Energy: 1.3895815492489303
Energy: 1.4044044995193856
Energy: 1.3946745729432326
Energy: 1.5257758788569817
Energy: 1.6711423567549835
Energy: 1.525775878877552
Energy: 1.3946745729432326
Energy: 1.5257758788545617
Energy: 1.384277714387931
Energy: 1.3978704325695728
Energy: 1.6678998921638688
Energy: 1.3978704326179736
Energy: 1.384277714389141
Energy: 1.3978704325356923
Energy: 1.3857764738762437
Energy: 1.4445922640223352
Energy: 1.2907747657569038
Energy: 1.4445922640235453
Energy: 1.3857764738762437
Energy: 1.4445922640114448
Energy: 1.3843345315454405
Energy: 1.4564745002125794
Energy: 1.2935548290430905
Energy: 1.4564745002137893
Energy: 1.3843345315442306
Energy: 1.4564745002125794
Energy: 1.387987641352361
Energy: 1.3243613051940937
Energy: 1.3885368037374206
Energy: 1.3243613051953036
Energy: 1.387987641351151
Energy: 1.3243613051940937
Energy: 1.2913036984851898
Energy: 1.4167428791733119
Energy: 1.3866451110565259
Energy: 1.4167428791733119
Energy: 1.2913036984851898
Energy: 1.4167428791733119
Energy: 1.2894065616715253
Energy: 1.4029200311890484
Energy: 1.3864768586287195
Energy: 1.4029200311890484
Energy: 1.2894065616727353
Energy: 1.4029200311890484
Energy: 1.7332246302611733
Energy: 1.4261612609999295
Energy: 1.384656208308565
Energy: 1.4261612610059793
Energy: 1.7332246302611733
Energy: 1.4261612610071894
Energy: 1.7034553470713854
Energy: 1.5772849139339646
Energy: 1.38774225893749
Energy: 1.5772849139327543
Energy: 1.7034553470725953
Energy: 1.5772849139327543
Energy: 1.292104579250795
Energy: 1.2962818227119424
Energy: 1.3894658737311978
Energy: 1.296281822594626
Energy: 1.292104579250795
Energy: 1.2962818225438602
Energy: 1.2680649306112477
Energy: 1.5518317985752654
Energy: 1.3970930900798153
Energy: 1.5518317985752654
Energy: 1.2680649306112477
Energy: 1.5518317985752654
Energy: 1.5091829442419993
Energy: 1.7831144979270916
Energy: 1.3922743452777127
Energy: 1.7831144979270916
Energy: 1.5091829442492593
Energy: 1.7831144979270916
Energy: 1.3963128007902843
Energy: 1.6945323918631972
Energy: 1.5775889032733867
Energy: 1.6945323918631972
Energy: 1.3963128007890744
Energy: 1.6945323918631972
Energy: 1.5863189141837803
Energy: 1.4576189747356476
Energy: 1.2885843384460862
Energy: 1.4576189747356476
Energy: 1.5863189141849905
Energy: 1.4576189747356476
Energy: 1.2830080892990536
Energy: 1.3895775725674697
Energy: 1.7577212894953744
Energy: 1.3895775725662596
Energy: 1.2830080892990536
Energy: 1.3895775725662596
Energy: 1.622693388198191
Energy: 1.7201518189824603
Energy: 1.316445409428251
Energy: 1.72015181898367
Energy: 1.622693388198191
Energy: 1.7201518189824603

minimum gb energy = 1.2680649306112477 eV
minimum distance =  2.19672742722479 Angstroms
sigma value = 33


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

Energy: 1.5278193643718232
Energy: 1.7703398911294657
Energy: 1.7411282871093208
Energy: 1.770339891128698
Energy: 1.527819364370288
Energy: 1.7703398911279304
Energy: 1.7106688691965048
Energy: 1.5162858722906196
Energy: 1.2293367554124457
Energy: 1.5162858722898518
Energy: 1.7106688690583696
Energy: 1.5162858722906196
Energy: 1.2263225852515003
Energy: 1.3080737515472363
Energy: 1.5720460617269734
Energy: 1.3080737515472363
Energy: 1.2263225852515003
Energy: 1.3080737515472363
Energy: 1.2968656418789153
Energy: 1.3399482312470763
Energy: 1.236557912840183
Energy: 1.3399460668034953
Energy: 1.2968656418789153
Energy: 1.3399507833424504
Energy: 1.4469908617060148
Energy: 1.5300242196055438
Energy: 1.4355337962838695
Energy: 1.5300242196047762
Energy: 1.4469908617060148
Energy: 1.5300242196063114
Energy: 1.4484739833177154
Energy: 1.45104417240311
Energy: 1.2304568944555716
Energy: 1.4510441724077157
Energy: 1.4484739833177154
Energy: 1.4510441724061807
Energy: 1.2226133205201704
Energy: 1.2437131004505593
Energy: 1.240031405851992
Energy: 1.2437131004505593
Energy: 1.2226133205194027
Energy: 1.2437131004505593
Energy: 1.2446409173639805
Energy: 1.2201277442659777
Energy: 1.4485528052903973
Energy: 1.2201277442322376
Energy: 1.2446409173639805
Energy: 1.2201277442682805
Energy: 1.4320500215102179
Energy: 1.4198552319152198
Energy: 1.4458573739205522
Energy: 1.4198552319167548
Energy: 1.4320500215094505
Energy: 1.4198552319159872
Energy: 1.2338326588827706
Energy: 1.3809723929436193
Energy: 1.2202086274643962
Energy: 1.3809723929420843
Energy: 1.2338326588827706
Energy: 1.3809723929436193
Energy: 1.217189846519679
Energy: 1.4215249752061594
Energy: 1.245811581092616
Energy: 1.4215249752053916
Energy: 1.2171898465204465
Energy: 1.4215249752053916
Energy: 1.2207037867041997
Energy: 1.2832062125639203
Energy: 1.7066934114156709
Energy: 1.2832062125639203
Energy: 1.2207037867041997
Energy: 1.2832062125639203
Energy: 1.461921927915231
Energy: 1.5433497697243839
Energy: 1.5142333554886045
Energy: 1.5433497697243839
Energy: 1.461921927915231
Energy: 1.5433497697243839
Energy: 1.229344017206592
Energy: 1.4157673488739977
Energy: 1.2257609491459323
Energy: 1.4157673488739977
Energy: 1.2293440172073595
Energy: 1.4157673488739977
Energy: 1.4706255597327935
Energy: 1.3015071362542372
Energy: 1.2202966639334578
Energy: 1.301507136202842
Energy: 1.470625559732026
Energy: 1.3015071362580752
Energy: 1.2365602813393
Energy: 1.464866831386529
Energy: 1.6313459937852246
Energy: 1.4648668313842261
Energy: 1.2365602813393
Energy: 1.4648668313895994
Energy: 1.7026023457048014
Energy: 1.7693138169589715
Energy: 1.492714733325963
Energy: 1.7693138169582037
Energy: 1.7026023457048014
Energy: 1.7693138169574358
Energy: 1.2193530225556222
Energy: 1.2447348885034406
Energy: 1.5793350241863242
Energy: 1.2447348885042082
Energy: 1.2193530225556222
Energy: 1.2447348885049758
Energy: 1.3331967426291798
Energy: 1.2424086715509908
Energy: 1.222749091963418
Energy: 1.2424086715486877
Energy: 1.3331967426299471
Energy: 1.2424086715502232
Energy: 1.4825653509684749
Energy: 1.5296596027027498
Energy: 1.2418800268670398
Energy: 1.5296596027019822
Energy: 1.4825653509684749
Energy: 1.5296596027027498
Energy: 1.69121909788265
Energy: 1.3891843535159656
Energy: 1.2322701586161082
Energy: 1.3891843533179917
Energy: 1.69121909788265
Energy: 1.3891843538773359
Energy: 1.2266429045612075
Energy: 1.42674700359957
Energy: 1.4344421850727012
Energy: 1.426747003601105
Energy: 1.2266429045612075
Energy: 1.4267470036003373
Energy: 1.2432249028372278
Energy: 1.4228881354726604
Energy: 1.2228917133776764
Energy: 1.4228881354726604
Energy: 1.2432249028356923
Energy: 1.4228881354726604
Energy: 1.5007668277352157
Energy: 1.5675794094423638
Energy: 1.217874852262991
Energy: 1.567579409513717
Energy: 1.5007668277359831
Energy: 1.5675794094868505
Energy: 1.7059517623035205
Energy: 1.2851622009548198
Energy: 1.2177762461270012
Energy: 1.2851622009548198
Energy: 1.7059517623035205
Energy: 1.2851622009555874
Energy: 1.2631506429654487
Energy: 1.428464560606666
Energy: 1.2203031476717474
Energy: 1.428464560606666
Energy: 1.2631506429654487
Energy: 1.428464560606666
Energy: 1.2207223500498785
Energy: 1.4335645363176392
Energy: 1.4310839530319106
Energy: 1.4335645363176392
Energy: 1.2207223500498785
Energy: 1.4335645363168719
Energy: 1.448586615193972
Energy: 1.411422475979752
Energy: 1.235981924036487
Energy: 1.411422475979752
Energy: 1.4485866151947395
Energy: 1.4114224759805196
Energy: 1.4478844716043076
Energy: 1.220229721688119
Energy: 1.2428868891822773
Energy: 1.2202297216888867
Energy: 1.4478844716050752
Energy: 1.220229721689654
Energy: 1.2444680391539085
Energy: 1.2450892631496746
Energy: 1.2241132384854
Energy: 1.2450892631504422
Energy: 1.2444680391554437
Energy: 1.2450892631496746
Energy: 1.2226703354435429
Energy: 1.4072166629870808
Energy: 1.6874001016398363
Energy: 1.4072166629870808
Energy: 1.2226703354435429
Energy: 1.4072166629870808
Energy: 1.4687788127512111
Energy: 1.7662761616762577
Energy: 1.4596492450230576
Energy: 1.7662761616762577
Energy: 1.4687788127512111
Energy: 1.7662761616762577
Energy: 1.2350764462613013
Energy: 1.4694822781957404
Energy: 1.6452860904033335
Energy: 1.46948227819267
Energy: 1.235076446262069
Energy: 1.4694822781895993
Energy: 1.6166948465015554
Energy: 1.305642439251417
Energy: 1.2269772588905883
Energy: 1.3056424392506496
Energy: 1.6166948464977173
Energy: 1.3056424392506496
Energy: 1.226036723757604
Energy: 1.4883878519986125
Energy: 1.5694051397369047
Energy: 1.4883878519970772
Energy: 1.226036723757604
Energy: 1.4883878519978448
Energy: 1.4565204457465097
Energy: 1.5446610385805337
Energy: 1.5337796172329776
Energy: 1.5446610385513642
Energy: 1.4565204456299026
Energy: 1.5446610385690194
Energy: 1.2227568522538725
Energy: 1.6435156581150938
Energy: 1.7058260524238904
Energy: 1.6435156581120238
Energy: 1.2227568522538725
Energy: 1.6435156581143264

minimum gb energy = 1.217189846519679 eV
minimum distance =  2.19706961101595 Angstroms
sigma value = 41


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

Energy: 1.084392456900329
Energy: 1.0549009020934117
Energy: 1.8066731716752593
Energy: 1.0549009020913158
Energy: 1.084392456900329
Energy: 1.0549009020934117
Energy: 1.614695341610473
Energy: 1.0582240638516578
Energy: 1.051573361021428
Energy: 1.0582240638516578
Energy: 1.614695341610473
Energy: 1.0582240638516578
Energy: 1.0850969801930272
Energy: 1.2338524274688345
Energy: 1.0532932466608191
Energy: 1.2338524274688345
Energy: 1.0850969801930272
Energy: 1.2338524274688345
Energy: 1.64755065235732
Energy: 1.0570570708195053
Energy: 1.0515941719227975
Energy: 1.0570570708216012
Energy: 1.6475506523657033
Energy: 1.0570570708195053
Energy: 1.08227570451951
Energy: 1.4418343798233584
Energy: 1.05397184016016
Energy: 1.4418343798233584
Energy: 1.08227570451951
Energy: 1.4418343798233584
Energy: 1.0802553027123125
Energy: 1.0889145744121467
Energy: 1.0515032589915818
Energy: 1.0889145744121467
Energy: 1.0802552715551952
Energy: 1.0889145744121467
Energy: 1.644177704012742
Energy: 1.0584160089362022
Energy: 1.0556077847794183
Energy: 1.0584160089362022
Energy: 1.644177704012742
Energy: 1.0584160089362022
Energy: 1.0865450645977852
Energy: 1.0554860295462933
Energy: 1.0522956759854007
Energy: 1.0554860295462933
Energy: 1.086545064599881
Energy: 1.0554860295462933
Energy: 1.5862649898083863
Energy: 1.0926622703509947
Energy: 1.0571443954550748
Energy: 1.0926622703509947
Energy: 1.5862649898083863
Energy: 1.0926622703509947
Energy: 1.0867989132513014
Energy: 1.4398215315705118
Energy: 1.0565441503458046
Energy: 1.4398215315726077
Energy: 1.0867989132492057
Energy: 1.4398215315726077
Energy: 1.602467183403367
Energy: 1.0553205160708388
Energy: 1.05868068929493
Energy: 1.0553205160708388
Energy: 1.602467183403367
Energy: 1.0553205160708388
Energy: 1.0963322222258454
Energy: 1.229316314861008
Energy: 1.6505464751693566
Energy: 1.2293163148631037
Energy: 1.0963322222258454
Energy: 1.229316314861008
Energy: 1.602487732928777
Energy: 1.0552696774215466
Energy: 1.0587037404853117
Energy: 1.0552696774215466
Energy: 1.602487732928777
Energy: 1.0552696774215466
Energy: 1.086778130974359
Energy: 1.4402141074650947
Energy: 1.0565940068696411
Energy: 1.4402141074671908
Energy: 1.086778130974359
Energy: 1.4402141074671908

minimum gb energy = 1.0515032589915818 eV
minimum distance =  2.21526925218459 Angstroms
sigma value = 11


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

Energy: 1.5827461985916473
Energy: 1.2711928442782183
Energy: 1.7120777246955938
Energy: 1.2711928442782183
Energy: 1.5827461985916473
Energy: 1.2711928442800597
Energy: 1.5332838969548437
Energy: 1.575331444284196
Energy: 1.2541088760881285
Energy: 1.5753314442795927
Energy: 1.5332838969539226
Energy: 1.5753314442786717
Energy: 1.256154616957342
Energy: 1.3735438065834704
Energy: 1.255182235414396
Energy: 1.373543806584391
Energy: 1.256154616957342
Energy: 1.3735438065834704
Energy: 1.2742912662732133
Energy: 1.2778935678472463
Energy: 1.2565609422321404
Energy: 1.2778935678472463
Energy: 1.274291266274134
Energy: 1.2778935678472463
Energy: 1.488231952924761
Energy: 1.4511108255878848
Energy: 1.2731129266374537
Energy: 1.4511108255869642
Energy: 1.4882319529238404
Energy: 1.4511108255878848
Energy: 1.2914013457027984
Energy: 1.4789244999324793
Energy: 1.4731397933514754
Energy: 1.4789244999315585
Energy: 1.2914013457027984
Energy: 1.4789244999324793
Energy: 1.2776003673293879
Energy: 1.5242915569193005
Energy: 1.3125242508076085
Energy: 1.524291556914697
Energy: 1.2776003673293879
Energy: 1.524291556917459
Energy: 1.256330059133345
Energy: 1.2816478188880283
Energy: 1.3978103326509044
Energy: 1.2816478188880283
Energy: 1.256330059133345
Energy: 1.2816478188880283
Energy: 1.5428866739068707
Energy: 1.3366901013735335
Energy: 1.257363286892159
Energy: 1.336690101374454
Energy: 1.5428866739068707
Energy: 1.3366901013735335
Energy: 1.2579854741766279
Energy: 1.457462581405864
Energy: 1.3536915275931138
Energy: 1.4574625814049433
Energy: 1.2579854741757073
Energy: 1.4574625814049433
Energy: 1.4844426544338598
Energy: 1.596223233745364
Energy: 1.543164300618583
Energy: 1.596223233744443
Energy: 1.4844426544338598
Energy: 1.5962232337462843
Energy: 1.2562279315033793
Energy: 1.4829821865323403
Energy: 1.480099441736557
Energy: 1.4829821865323403
Energy: 1.2562279315033793
Energy: 1.4829821865323403
Energy: 1.2559001583567082
Energy: 1.3713980229410914
Energy: 1.3723096657773206
Energy: 1.3713980229420122
Energy: 1.2559001583567082
Energy: 1.3713980229410914
Energy: 1.2723394588686403
Energy: 1.3421204571748204
Energy: 1.272073643858081
Energy: 1.3421204571748204
Energy: 1.2723394588686403
Energy: 1.3421204571748204
Energy: 1.2546239543818547
Energy: 1.5208658300117375
Energy: 1.4728480896416307
Energy: 1.5208658300117375
Energy: 1.2546239543818547
Energy: 1.5208658300117375
Energy: 1.6090634493603349
Energy: 1.5514064546825386
Energy: 1.2920670421640315
Energy: 1.5514064546834594
Energy: 1.6090634493603349
Energy: 1.5514064546825386
Energy: 1.3124443842700897
Energy: 1.52452398820511
Energy: 1.438189618361166
Energy: 1.5245239882041892
Energy: 1.3124443842700897
Energy: 1.5245239882023478
Energy: 1.4730870122138486
Energy: 1.5206943136983375
Energy: 1.2562004164461222
Energy: 1.5206943136983375
Energy: 1.4730870122138486
Energy: 1.5206943136983375
Energy: 1.2719319984835886
Energy: 1.3714667746511575
Energy: 1.2699379194391647
Energy: 1.3714667746493163
Energy: 1.2719319984835886
Energy: 1.3714667746529778
Energy: 1.2590848258978782
Energy: 1.3725035352716504
Energy: 1.254450578666311
Energy: 1.3725035352716504
Energy: 1.2590848258987988
Energy: 1.3725035352716504
Energy: 1.4704868681966623
Energy: 1.3979017436527765
Energy: 1.254855961399441
Energy: 1.3979017436583008
Energy: 1.4704868681975827
Energy: 1.3979017436472527
Energy: 1.536889649064131
Energy: 1.5972800221132142
Energy: 1.4824506908499728
Energy: 1.5972800221122934
Energy: 1.5368896490632102
Energy: 1.597280022114135
Energy: 1.2702308874153354
Energy: 1.4574523714936973
Energy: 1.2788237526106851
Energy: 1.4574523714936973
Energy: 1.2702308874153354
Energy: 1.4574523714936973
Energy: 1.2564777241391936
Energy: 1.3421525155389105
Energy: 1.5438322392461914
Energy: 1.342152515539831
Energy: 1.2564777241382727
Energy: 1.3421525155389105
Energy: 1.255228224113691
Energy: 1.2806189093053248
Energy: 1.2556508627092884
Energy: 1.2806189093053248
Energy: 1.2552282240980395
Energy: 1.2806189093053248
Energy: 1.2912904631900317
Energy: 1.4385446955293382
Energy: 1.276769362102708
Energy: 1.438544695530259
Energy: 1.2912904631900317
Energy: 1.438544695530259
Energy: 1.473611247559119
Energy: 1.4691362880938825
Energy: 1.4877326411038398
Energy: 1.4691362881463406
Energy: 1.473611247559119
Energy: 1.469136288168416
Energy: 1.2712830687684682
Energy: 1.4405007630378757
Energy: 1.291559915942407
Energy: 1.4405007630378757
Energy: 1.2712830687693886
Energy: 1.4405007630378757
Energy: 1.259099726157579
Energy: 1.2791240000630564
Energy: 1.2744826773090363
Energy: 1.2791240000630564
Energy: 1.259099726157579
Energy: 1.2791240000630564
Energy: 1.2600045553663644
Energy: 1.3735320793080075
Energy: 1.2569209151782044
Energy: 1.373532079308928
Energy: 1.2600045553663644
Energy: 1.3735320793080075
Energy: 1.2585026354967086
Energy: 1.5747666022607976
Energy: 1.6154536807742974
Energy: 1.5747666022607976
Energy: 1.2585026354967086
Energy: 1.5747666022607976

minimum gb energy = 1.2541088760881285 eV
minimum distance =  2.19081381274515 Angstroms
sigma value = 57


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

Energy: 1.3664014181867399
Energy: 1.354847748112265
Energy: 1.8049779125287777
Energy: 1.354847748112265
Energy: 1.3664014181867399
Energy: 1.354847748112265
Energy: 1.3228248559515747
Energy: 1.3345534598825293
Energy: 1.311128715622485
Energy: 1.3345534598841677
Energy: 1.3228248559499365
Energy: 1.3345534598841677
Energy: 1.3181626480348572
Energy: 1.3603506657239166
Energy: 1.3116412672442146
Energy: 1.360350665725555
Energy: 1.3181626480397723
Energy: 1.3603506657239166
Energy: 1.3118367217227282
Energy: 1.7374366051826016
Energy: 1.3125752765378926
Energy: 1.7374366051826016
Energy: 1.3118367217243667
Energy: 1.7374366051826016
Energy: 1.3116067158199953
Energy: 1.3602835126526247
Energy: 1.3125108449614087
Energy: 1.360283512654263
Energy: 1.311606715818357
Energy: 1.3602835126526247
Energy: 1.3174205739113427
Energy: 1.3346552102484122
Energy: 1.3225694745546974
Energy: 1.3346552102484122
Energy: 1.3174205739113427
Energy: 1.3346552102484122
Energy: 1.8049779125287777
Energy: 1.354847748112265
Energy: 1.3664014181867399
Energy: 1.354847748112265
Energy: 1.8049779125271392
Energy: 1.354847748112265
Energy: 1.311128715622485
Energy: 1.3345534598825293
Energy: 1.3228248559499365
Energy: 1.3345534598825293
Energy: 1.311128715622485
Energy: 1.3345534598825293
Energy: 1.3116412672442146
Energy: 1.3603506657239166
Energy: 1.3181626480364954
Energy: 1.3603506657239166
Energy: 1.3116412672442146
Energy: 1.3603506657239166
Energy: 1.3125752765362542
Energy: 1.7374366051826016
Energy: 1.3118367217227282
Energy: 1.7374366051826016
Energy: 1.3125752765378926
Energy: 1.7374366051826016
Energy: 1.312510844963047
Energy: 1.3602835126526247
Energy: 1.3116067158199953
Energy: 1.3602835126526247
Energy: 1.312510844963047
Energy: 1.3602835126526247
Energy: 1.3225694745530592
Energy: 1.3346552102484122
Energy: 1.3174205739097042
Energy: 1.3346552102484122
Energy: 1.3225694745530592
Energy: 1.3346552102484122
Energy: 1.3664014181867399
Energy: 1.354847748112265
Energy: 1.6167924410004604
Energy: 1.354847748112265
Energy: 1.3664014181867399
Energy: 1.354847748112265
Energy: 1.3228248559499365
Energy: 1.3345534598841677
Energy: 1.311128715622485
Energy: 1.3345534598825293
Energy: 1.3228248559499365
Energy: 1.3345534598825293
Energy: 1.3181626480348572
Energy: 1.3603506657239166
Energy: 1.3116412672442146
Energy: 1.3603506657239166
Energy: 1.3181626480364954
Energy: 1.3603506657239166
Energy: 1.311836721726005
Energy: 1.7374366051826016
Energy: 1.3125752765378926
Energy: 1.7374366051826016
Energy: 1.311836721726005
Energy: 1.7374366051826016
Energy: 1.3116067158199953
Energy: 1.3602835126526247
Energy: 1.3125108449614087
Energy: 1.3602835126526247
Energy: 1.3116067158199953
Energy: 1.3602835126526247

minimum gb energy = 1.311128715622485 eV
minimum distance =  2.22279298987808 Angstroms
sigma value = 9


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

Energy: 1.4632752237417426
Energy: 1.4304380118973015
Energy: 1.6922431719257418
Energy: 1.4304380118973015
Energy: 1.4632752237404048
Energy: 1.4304380118973015
Energy: 1.3712688279405991
Energy: 1.4373470102295622
Energy: 1.345252145035713
Energy: 1.4373470102309003
Energy: 1.3712688279405991
Energy: 1.4373470102268868
Energy: 1.3493798656800362
Energy: 1.4077124507043288
Energy: 1.3468809802517296
Energy: 1.4077124507043288
Energy: 1.3493798656800362
Energy: 1.407712450702991
Energy: 1.3494374565759728
Energy: 1.3377352592748408
Energy: 1.376653369546348
Energy: 1.3377352592761782
Energy: 1.3494374565773104
Energy: 1.3377352592761782
Energy: 1.3704592378680176
Energy: 1.4318157247683152
Energy: 1.347956594876746
Energy: 1.4318157247683152
Energy: 1.3704592378680176
Energy: 1.4318157247683152
Energy: 1.3488427457937915
Energy: 1.3644110531468303
Energy: 1.5650089007024899
Energy: 1.3644110531468303
Energy: 1.3488427457937915
Energy: 1.3644110531468303
Energy: 1.3517992459181276
Energy: 1.4085943571413309
Energy: 1.348547106006724
Energy: 1.4085943571413309
Energy: 1.3517992459181276
Energy: 1.4085943571399933
Energy: 1.3979472186824735
Energy: 1.4768067203526412
Energy: 1.345585638949208
Energy: 1.4768067203539788
Energy: 1.3979472186811357
Energy: 1.4768067203539788
Energy: 1.39768125640015
Energy: 1.4050115645627792
Energy: 1.3532376604126066
Energy: 1.4050115645627792
Energy: 1.39768125640015
Energy: 1.4050115645614412
Energy: 1.3510512555104712
Energy: 1.4472431377799102
Energy: 1.3632454351431362
Energy: 1.4472431377799102
Energy: 1.3510512555104712
Energy: 1.4472431377799102
Energy: 1.3516497131660807
Energy: 1.351680954488271
Energy: 1.3768611827886343
Energy: 1.351680954488271
Energy: 1.3516497131660807
Energy: 1.351680954488271
Energy: 1.348480140627777
Energy: 1.4081286789376155
Energy: 1.4104254067358726
Energy: 1.4081286789376155
Energy: 1.348480140627777
Energy: 1.4081286789376155
Energy: 1.3508126835509544
Energy: 1.4097073031225493
Energy: 1.4008437036414152
Energy: 1.409707303123887
Energy: 1.3508126835509544
Energy: 1.409707303123887
Energy: 1.3484242292920932
Energy: 1.3772840580524188
Energy: 1.3512297519267535
Energy: 1.3772840580524188
Energy: 1.3484242292920932
Energy: 1.3772840580524188
Energy: 1.537607609073707
Energy: 1.4467857669181694
Energy: 1.3609271005883707
Energy: 1.4467857669181694
Energy: 1.537607609073707
Energy: 1.4467857669181694
Energy: 1.3975635297901203
Energy: 1.4051930225015155
Energy: 1.3849554836812348
Energy: 1.4051930225001776
Energy: 1.3975635297887827
Energy: 1.4051930225015155
Energy: 1.4034990532438043
Energy: 1.4046607228760812
Energy: 1.3777919111070607
Energy: 1.4046607228760812
Energy: 1.4034990532438043
Energy: 1.4046607228760812
Energy: 1.4383166860752654
Energy: 1.4453131586377745
Energy: 1.362835286992628
Energy: 1.4453131586377745
Energy: 1.4383166860739276
Energy: 1.4453131586377745
Energy: 1.351202785860392
Energy: 1.3395089672558251
Energy: 1.3533692238923454
Energy: 1.339508967257163
Energy: 1.3512027858590545
Energy: 1.3395089672558251
Energy: 1.3493556059744245
Energy: 1.430513471744654
Energy: 1.3468752126614663
Energy: 1.4305134717433163
Energy: 1.349355605975762
Energy: 1.4305134717433163
Energy: 1.3511705658286473
Energy: 1.3388673894950105
Energy: 1.3806900763579593
Energy: 1.3388673894950105
Energy: 1.3511705658286473
Energy: 1.338867389493673

minimum gb energy = 1.3377352592748408 eV
minimum distance =  2.22365008661127 Angstroms
sigma value = 27


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

Energy: 1.4480912699600565
Energy: 1.492799767357443
Energy: 1.5677134027832464
Energy: 1.492799767357443
Energy: 1.4480912699589288
Energy: 1.492799767357443
Energy: 1.3179057635786267
Energy: 1.4297126945793626
Energy: 1.3426606620275532
Energy: 1.4297126945804903
Energy: 1.3179057635786267
Energy: 1.429712694578235
Energy: 1.3430205325479352
Energy: 1.4512001234477774
Energy: 1.3426784938267973
Energy: 1.4512001234489051
Energy: 1.3430205325479352
Energy: 1.4512001234477774
Energy: 1.3489440147847218
Energy: 1.348954559751951
Energy: 1.432703783217472
Energy: 1.348954559751951
Energy: 1.3489440147835943
Energy: 1.348954559751951
Energy: 1.317959708286898
Energy: 1.478156569833265
Energy: 1.3437737541689527
Energy: 1.478156569833265
Energy: 1.317959708286898
Energy: 1.478156569833265
Energy: 1.3581387483229612
Energy: 1.3607730518507324
Energy: 1.3584055019562593
Energy: 1.3607730518496048
Energy: 1.3581387483229612
Energy: 1.3607730518496048
Energy: 1.3497321157316748
Energy: 1.3680052144095
Energy: 1.3445008708885045
Energy: 1.3680052144095
Energy: 1.3497321157316748
Energy: 1.3680052144095
Energy: 1.3291345456545722
Energy: 1.3687048836681293
Energy: 1.3437922820804313
Energy: 1.368704883667002
Energy: 1.3291345456545722
Energy: 1.368704883667002
Energy: 1.3937662765517862
Energy: 1.346779208655107
Energy: 1.424201680162975
Energy: 1.346779208655107
Energy: 1.3937662765517862
Energy: 1.346779208655107
Energy: 1.3297499272094706
Energy: 1.4416542690912013
Energy: 1.3987492501331549
Energy: 1.4416542690923289
Energy: 1.3297499272094706
Energy: 1.4416542690923289
Energy: 1.3298502406059443
Energy: 1.4416205069151762
Energy: 1.3986883595894324
Energy: 1.4416205069151762
Energy: 1.3298502406059443
Energy: 1.4416205069151762
Energy: 1.393873552901039
Energy: 1.3461210213294663
Energy: 1.4248944775006878
Energy: 1.346121021324956
Energy: 1.3938735529021666
Energy: 1.3461210213328492
Energy: 1.3292086071320512
Energy: 1.3688624832890333
Energy: 1.344497576082908
Energy: 1.368862483290161
Energy: 1.3292086071309235
Energy: 1.368862483290161
Energy: 1.3497014806878158
Energy: 1.3679925194253761
Energy: 1.3435414051107033
Energy: 1.3679925194253761
Energy: 1.3497014806878158
Energy: 1.3679925194253761
Energy: 1.3581429505962734
Energy: 1.3608238853854762
Energy: 1.3580529445078655
Energy: 1.3608238853854762
Energy: 1.3581429505974012
Energy: 1.3608238853854762
Energy: 1.3174323595090722
Energy: 1.478156569833265
Energy: 1.3433776224685556
Energy: 1.478156569833265
Energy: 1.3174323595090722
Energy: 1.478156569833265
Energy: 1.3487407125494422
Energy: 1.3504805432105491
Energy: 1.3340462970217426
Energy: 1.3504805432094218
Energy: 1.3487407125494422
Energy: 1.3504805432094218
Energy: 1.3429989370784514
Energy: 1.4510734943483947
Energy: 1.3427382346444785
Energy: 1.4510734943540329
Energy: 1.3429989370784514
Energy: 1.4510734943607981
Energy: 1.3178215988246258
Energy: 1.429830577866804
Energy: 1.3427334702658387
Energy: 1.4298305778735696
Energy: 1.3178215988246258
Energy: 1.4298305778701865
Energy: 1.4480912699600565
Energy: 1.492799767357443
Energy: 1.5187714066830573
Energy: 1.492799767357443
Energy: 1.4480912699600565
Energy: 1.492799767357443
Energy: 1.3179057635786267
Energy: 1.4297126945793626
Energy: 1.3426606620275532
Energy: 1.429712694578235
Energy: 1.3179057635786267
Energy: 1.4297126945793626
Energy: 1.3430205325479352
Energy: 1.4512001234489051
Energy: 1.3426784938267973
Energy: 1.4512001234477774
Energy: 1.3430205325490627
Energy: 1.4512001234477774
Energy: 1.3489440147847218
Energy: 1.348954559751951
Energy: 1.530014132853677
Energy: 1.348954559751951
Energy: 1.3489440147847218
Energy: 1.348954559751951
Energy: 1.317959708286898
Energy: 1.478156569833265
Energy: 1.343773754167825
Energy: 1.478156569833265
Energy: 1.317959708286898
Energy: 1.478156569833265
Energy: 1.3581387483229612
Energy: 1.3607730518496048
Energy: 1.3584055019562593
Energy: 1.3607730518507324
Energy: 1.3581387483229612
Energy: 1.3607730518496048

minimum gb energy = 1.3174323595090722 eV
minimum distance =  2.2277649693759 Angstroms
sigma value = 19


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

Energy: 1.4701425252717517
Energy: 1.2715291409847553
Energy: 1.5329540683644047
Energy: 1.2715291409944889
Energy: 1.4701425252717517
Energy: 1.2715291409935157
Energy: 1.2743316622940364
Energy: 1.3985465873272414
Energy: 1.256141019861453
Energy: 1.3985465873262681
Energy: 1.2743316622940364
Energy: 1.3985465873262681
Energy: 1.2724641398889638
Energy: 1.3469006246144193
Energy: 1.256390552257482
Energy: 1.3469006246144193
Energy: 1.2724641398889638
Energy: 1.3469006246144193
Energy: 1.3207077884688214
Energy: 1.3757993975533722
Energy: 1.2963227766536982
Energy: 1.3757993975533722
Energy: 1.3207077884697946
Energy: 1.3757993975533722
Energy: 1.285205317246013
Energy: 1.3056702588139089
Energy: 1.3011831413962487
Energy: 1.3056702588139089
Energy: 1.285205317246013
Energy: 1.3056702588139089
Energy: 1.274647971182923
Energy: 1.3580180273844813
Energy: 1.2997419412429139
Energy: 1.3580180273844813
Energy: 1.274647971182923
Energy: 1.358018027383508
Energy: 1.2937698010396106
Energy: 1.3685282889175086
Energy: 1.2950517420865528
Energy: 1.3685282889175086
Energy: 1.2937698010386374
Energy: 1.3685282889175086
Energy: 1.2851515530732378
Energy: 1.30491770530056
Energy: 1.300540921666918
Energy: 1.30491770530056
Energy: 1.2851515530722641
Energy: 1.3049177053015335
Energy: 1.293524682042328
Energy: 1.3580231863025067
Energy: 1.3330795603510928
Energy: 1.3580231863015335
Energy: 1.293524682042328
Energy: 1.3580231863025067
Energy: 1.2848331407047602
Energy: 1.378304280194982
Energy: 1.2564548272623903
Energy: 1.378304280194982
Energy: 1.2848331407047602
Energy: 1.378304280194982
Energy: 1.2835926130222919
Energy: 1.36066147613118
Energy: 1.2881561914049828
Energy: 1.36066147613118
Energy: 1.2835926130222919
Energy: 1.36066147613118
Energy: 1.2993721492977104
Energy: 1.4548260594124283
Energy: 1.2569179001584365
Energy: 1.4548260594124283
Energy: 1.299372149296737
Energy: 1.4548260594134015
Energy: 1.2990116959726572
Energy: 1.4544823715470188
Energy: 1.256408388890916
Energy: 1.4544823715392319
Energy: 1.299011695971684
Energy: 1.4544823715440987
Energy: 1.2722422440103953
Energy: 1.3610979570483515
Energy: 1.3707028696251116
Energy: 1.3610979570483515
Energy: 1.2722422440113685
Energy: 1.3610979570483515
Energy: 1.2934287047808988
Energy: 1.3753961162493638
Energy: 1.2567381617144995
Energy: 1.3753961162493638
Energy: 1.2934287047808988
Energy: 1.3753961162483903
Energy: 1.2919253942682307
Energy: 1.3047914453904415
Energy: 1.2582894656669619
Energy: 1.3047914453904415
Energy: 1.2919253942682307
Energy: 1.3047914453904415
Energy: 1.2724548301775997
Energy: 1.3042790401569344
Energy: 1.2580331854557163
Energy: 1.3042790401579076
Energy: 1.2724548301766265
Energy: 1.3042790401579076
Energy: 1.2919775202234052
Energy: 1.445742179109391
Energy: 1.256431503645553
Energy: 1.445742179109391
Energy: 1.2919775202224317
Energy: 1.4457421791103644
Energy: 1.27241363611016
Energy: 1.3042455564391244
Energy: 1.2580431806085213
Energy: 1.3042455564391244
Energy: 1.2724136361091865
Energy: 1.3042455564391244
Energy: 1.2919330103161548
Energy: 1.304818184414127
Energy: 1.2582596793698977
Energy: 1.3048181844151001
Energy: 1.2919330103161548
Energy: 1.304818184414127
Energy: 1.2935468411225401
Energy: 1.3761546349160765
Energy: 1.2576644515567998
Energy: 1.3761546349160765
Energy: 1.2935468411225401
Energy: 1.3761546349160765
Energy: 1.2720778934486754
Energy: 1.3613147327684239
Energy: 1.370669004446972
Energy: 1.3613147327684239
Energy: 1.2720778934486754
Energy: 1.3613147327684239
Energy: 1.2989262429489947
Energy: 1.4556248576989834
Energy: 1.256205563441531
Energy: 1.4556248576999569
Energy: 1.2989262429489947
Energy: 1.4556248576999569
Energy: 1.2990551168513613
Energy: 1.4548503215669688
Energy: 1.257190256667482
Energy: 1.454850321570862
Energy: 1.2990551168513613
Energy: 1.454850321567942
Energy: 1.2835655069703382
Energy: 1.3602446353041502
Energy: 1.2581039645924088
Energy: 1.3602446353051236
Energy: 1.2835655069713117
Energy: 1.3602446353041502
Energy: 1.2846181866794473
Energy: 1.3784575202485823
Energy: 1.2564571401066218
Energy: 1.3784575202495555
Energy: 1.2846181866794473
Energy: 1.378457520250529
Energy: 1.293608467466672
Energy: 1.3580902882577743
Energy: 1.3459515952511336
Energy: 1.3580902882577743
Energy: 1.293608467466672
Energy: 1.3580902882577743
Energy: 1.2850756756761788
Energy: 1.3050634235096585
Energy: 1.3006286447892919
Energy: 1.3050634235096585
Energy: 1.2850756756761788
Energy: 1.3050634235096585
Energy: 1.2939235656921082
Energy: 1.3685282889175086
Energy: 1.2950789145197614
Energy: 1.368528288918482
Energy: 1.2939235656930814
Energy: 1.368528288918482

minimum gb energy = 1.256141019861453 eV
minimum distance =  2.21872268751125 Angstroms
sigma value = 101


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

Energy: 1.451648665467757
Energy: 1.3275238437328918
Energy: 1.4699521138928668
Energy: 1.3275238437320362
Energy: 1.4516486654669014
Energy: 1.3275238437328918
Energy: 1.2340893631044847
Energy: 1.3297382695749016
Energy: 1.233504510545325
Energy: 1.3297382695740458
Energy: 1.2340893631053402
Energy: 1.3297382695740458
Energy: 1.2181216246802542
Energy: 1.3364906498793165
Energy: 1.2596557826465118
Energy: 1.336490649880172
Energy: 1.2181216246802542
Energy: 1.336490649880172
Energy: 1.2523813983769936
Energy: 1.294648334245682
Energy: 1.240882819302662
Energy: 1.2946483342448265
Energy: 1.2523813983769936
Energy: 1.294648334245682
Energy: 1.2069606078244282
Energy: 1.2772331730285358
Energy: 1.2183707435404894
Energy: 1.2772331730293915
Energy: 1.2069606078244282
Energy: 1.2772331730285358
Energy: 1.2210075254621267
Energy: 1.34120468207593
Energy: 1.2060439961176375
Energy: 1.34120468207593
Energy: 1.2210075254612711
Energy: 1.34120468207593
Energy: 1.218327719004609
Energy: 1.3482035312762677
Energy: 1.2068951548032183
Energy: 1.3482035312762677
Energy: 1.218327719004609
Energy: 1.3482035312771234
Energy: 1.2177869408824533
Energy: 1.3463664680444947
Energy: 1.2179886588159439
Energy: 1.3463664680444947
Energy: 1.2177869408815976
Energy: 1.3463664680436394
Energy: 1.2064364061232502
Energy: 1.3144416914938966
Energy: 1.2185699396547225
Energy: 1.3144416914938966
Energy: 1.2064364061241055
Energy: 1.3144416914938966
Energy: 1.2063929520365115
Energy: 1.303175611614583
Energy: 1.2070378471578151
Energy: 1.3031756116248503
Energy: 1.206392952037367
Energy: 1.303175611614583
Energy: 1.2675852263834253
Energy: 1.2913807427770645
Energy: 1.286342663213371
Energy: 1.2913807427770645
Energy: 1.2675852263825693
Energy: 1.2913807427770645
Energy: 1.233385841394285
Energy: 1.3350104806483882
Energy: 1.2059705403846546
Energy: 1.3350104806492438
Energy: 1.233385841394285
Energy: 1.3350104806492438
Energy: 1.2350487330856033
Energy: 1.3365206530094231
Energy: 1.25223927400944
Energy: 1.3365206530094231
Energy: 1.2350487330864588
Energy: 1.3365206530085676
Energy: 1.2584108204522755
Energy: 1.2354992403934704
Energy: 1.234163553824561
Energy: 1.235499240392615
Energy: 1.2584108204522755
Energy: 1.2354992403934704
Energy: 1.2057515727607848
Energy: 1.5181418861310128
Energy: 1.2335218668607482
Energy: 1.5181418861318687
Energy: 1.2057515727607848
Energy: 1.5181418861310128
Energy: 1.2779205536782516
Energy: 1.335968716754972
Energy: 1.2173744258211607
Energy: 1.335968716754972
Energy: 1.2779205536791074
Energy: 1.3359687167541165
Energy: 1.2072537779825305
Energy: 1.3448792927592326
Energy: 1.2513489293241153
Energy: 1.3448792927600883
Energy: 1.2072537779825305
Energy: 1.3448792927575215
Energy: 1.2178770432499706
Energy: 1.27749643433978
Energy: 1.2062240355288802
Energy: 1.2774964343406356
Energy: 1.2178770432499706
Energy: 1.27749643433978
Energy: 1.216370941947482
Energy: 1.3010551793475473
Energy: 1.219055725788364
Energy: 1.3010551793484029
Energy: 1.216370941947482
Energy: 1.3010551793475473
Energy: 1.20674552361414
Energy: 1.423458390691696
Energy: 1.2065949653334043
Energy: 1.4234583906908402
Energy: 1.2067455236132842
Energy: 1.423458390691696
Energy: 1.2289997668965862
Energy: 1.276652741314274
Energy: 1.2184757126275232
Energy: 1.2766527413134188
Energy: 1.2289997668957306
Energy: 1.276652741314274
Energy: 1.206073418860684
Energy: 1.301495921200459
Energy: 1.2061523775467828
Energy: 1.3014959151077714
Energy: 1.2060734188598285
Energy: 1.3014959245597812
Energy: 1.2186296333245887
Energy: 1.3018046521184408
Energy: 1.2066544353013913
Energy: 1.3018046521184408
Energy: 1.2186296333245887
Energy: 1.3018046521184408
Energy: 1.2522224841613396
Energy: 1.3461066345426658
Energy: 1.2655215863137643
Energy: 1.3461066345426658
Energy: 1.2522224841613396
Energy: 1.3461066345426658
Energy: 1.206751958267777
Energy: 1.4491149493293818
Energy: 1.2058292175634377
Energy: 1.449114949328526
Energy: 1.206751958267777
Energy: 1.4491149493293818
Energy: 1.2324206143247074
Energy: 1.3355190213002064
Energy: 1.2781671768807334
Energy: 1.3355190213002064
Energy: 1.2324206143247074
Energy: 1.3355190212984953
Energy: 1.234340345627424
Energy: 1.398784512239855
Energy: 1.206406277330643
Energy: 1.3987845122389997
Energy: 1.234340345627424
Energy: 1.398784512239855
Energy: 1.2344020176412749
Energy: 1.5291604832640502
Energy: 1.2067180054634148
Energy: 1.5291604832649057
Energy: 1.2344020176412749
Energy: 1.5291604832649057
Energy: 1.3229856158898627
Energy: 1.4089907119468692
Energy: 1.3109523070517501
Energy: 1.4089907119460134
Energy: 1.3229856158890074
Energy: 1.4089907119468692
Energy: 1.2061754065812118
Energy: 1.3763213063295188
Energy: 1.2065656960290552
Energy: 1.3763213063295188
Energy: 1.206175406580356
Energy: 1.376321306328663
Energy: 1.2514318998982603
Energy: 1.345839986121193
Energy: 1.2190941140193317
Energy: 1.3458399861203374
Energy: 1.2514318998982603
Energy: 1.345839986121193
Energy: 1.2326274477661108
Energy: 1.301251545893649
Energy: 1.2059300272085793
Energy: 1.301251545893649
Energy: 1.2326274477652552
Energy: 1.3012515458927933
Energy: 1.2067052340261872
Energy: 1.3212685661212829
Energy: 1.2181512057709873
Energy: 1.3212685661204273
Energy: 1.2067052340261872
Energy: 1.3212685661221386

minimum gb energy = 1.2057515727607848 eV
minimum distance =  2.22496760803851 Angstroms
sigma value = 33


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

Energy: 0.014457169699082095
Energy: 0.015108526786465066
Energy: 1.3542573512049547
Energy: 0.015108526785754165
Energy: 0.014457169699082095
Energy: 0.015108526786465066
Energy: 0.014605478615938201
Energy: 0.6564978668245306
Energy: 0.014605478615227303
Energy: 0.6564978668245306
Energy: 0.014605478615938201
Energy: 0.6564978668245306
Energy: 1.3542573512049547
Energy: 0.015108526785754165
Energy: 0.014457169699082095
Energy: 0.015108526786465066
Energy: 1.3542573512049547
Energy: 0.015108526785754165
Energy: 0.014605478615227303
Energy: 0.6564978668245306
Energy: 0.014605478615938201
Energy: 0.6564978668245306
Energy: 0.014605478615938201
Energy: 0.6564978668245306

minimum gb energy = 0.014457169699082095 eV
minimum distance =  2.41169240409835 Angstroms
sigma value = 1