Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.176897808909416
cohesive_energy=7.383914292925778
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: 0.02137554649836646
Energy: 1.7318745893885739
Energy: 0.02137554649836646
Energy: 1.7318745893885739
Energy: 0.02137554649836646
Energy: 1.7318745893908705
Energy: 1.7318745893908705
Energy: 1.5882756737067851
Energy: 1.7318745893885739
Energy: 1.5882756737067851
Energy: 1.7318745893885739
Energy: 1.5882756737067851
Energy: 0.02137554649836646
Energy: 1.7318745893908705
Energy: 0.02137554649836646
Energy: 1.7318745893885739
Energy: 0.02137554649836646
Energy: 1.7318745893908705
Energy: 1.7318745893885739
Energy: 1.5882756737067851
Energy: 1.7318745893885739
Energy: 1.5882756737067851
Energy: 1.7318745893885739
Energy: 1.5882756737067851
Energy: 0.02137554649836646
Energy: 1.7318745893885739
Energy: 0.02137554649836646
Energy: 1.7318745893885739
Energy: 0.02137554649836646
Energy: 1.7318745893908705
Energy: 1.7318745893908705
Energy: 1.5882756737067851
Energy: 1.7318745893908705
Energy: 1.5882756737090822
Energy: 1.7318745893908705
Energy: 1.5882756737067851

minimum gb energy = 0.02137554649836646 eV
minimum distance =  2.69975241335043 Angstroms
sigma value = 1


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

Energy: 1.6053097004194243
Energy: 1.3679981096154348
Energy: 1.6053097004199894
Energy: 1.3679981096171312
Energy: 1.6053097004188588
Energy: 1.3679981096154348
Energy: 1.841238147344131
Energy: 1.2321731878089186
Energy: 1.8412381473452617
Energy: 1.2321731878089186
Energy: 1.8412381473452617
Energy: 1.2321731878094841
Energy: 1.5127124307846906
Energy: 1.4432079612768165
Energy: 1.5127124307846906
Energy: 1.4432067780275315
Energy: 1.512712430784125
Energy: 1.4432068116766614
Energy: 1.6235748967979065
Energy: 1.3400002920926335
Energy: 1.623574896779812
Energy: 1.3400002920931988
Energy: 1.6235748967493293
Energy: 1.3400002920948952
Energy: 1.4438807429102052
Energy: 1.5321931570071996
Energy: 1.4438807429102052
Energy: 1.532193157007765
Energy: 1.4438807429096396
Energy: 1.5321931570071996
Energy: 1.4916883535375496
Energy: 1.3153839786891457
Energy: 1.4916883535358534
Energy: 1.3153839786863186
Energy: 1.4916883535386805
Energy: 1.3153839786795332
Energy: 1.4399684711645573
Energy: 1.5358701423307441
Energy: 1.4342852122293548
Energy: 1.5358701423239587
Energy: 1.434285212144537
Energy: 1.5358701422911625
Energy: 1.3435955771865822
Energy: 1.6697583713984725
Energy: 1.3435955771871477
Energy: 1.6697583713979072
Energy: 1.3435955771860169
Energy: 1.6697583713956454
Energy: 1.528587878081784
Energy: 1.538196225813164
Energy: 1.5285878780806532
Energy: 1.5381962258125985
Energy: 1.5285878780784428
Energy: 1.5381962258137292
Energy: 1.2291992044312343
Energy: 0.9045244525241445
Energy: 1.2291992044317999
Energy: 0.9689238066484938
Energy: 1.2291992044317999
Energy: 0.9698726333165493
Energy: 1.389334973406673
Energy: 1.3346890085018315
Energy: 1.3893349734038971
Energy: 1.3346890085018315
Energy: 1.3893349734038971
Energy: 1.334689008501266
Energy: 1.1650114130101643
Energy: 1.5341297991622866
Energy: 1.1650114130112952
Energy: 0.8773398575419651
Energy: 1.1650114130107299
Energy: 0.8768851919208449
Energy: 1.6730762813217328
Energy: 1.1453736848417613
Energy: 1.673076281321167
Energy: 1.145373684842327
Energy: 1.6730762813234288
Energy: 1.1453736848417613
Energy: 1.3449591044679212
Energy: 1.4507773979457144
Energy: 1.3449591044667903
Energy: 1.4507592412533699
Energy: 1.3449591044673554
Energy: 1.4502703296783446
Energy: 1.7712496792324375
Energy: 1.233574271421347
Energy: 1.771249679709472
Energy: 1.2335742714219124
Energy: 1.7712496789679097
Energy: 1.2335742714224776
Energy: 1.7838419814453588
Energy: 1.5203378152417908
Energy: 1.7838419814442277
Energy: 1.5203378152417908
Energy: 1.7838419814447932
Energy: 1.5203378152406597
Energy: 1.512595994866825
Energy: 1.4463942908853589
Energy: 1.5125959948639978
Energy: 1.4463942908864895
Energy: 1.5125959948600394
Energy: 1.4463942908859242
Energy: 1.5125902615463747
Energy: 1.3691342173643222
Energy: 1.5125902615446782
Energy: 1.36913421733605
Energy: 1.5125902615305418
Energy: 1.3691342172722054
Energy: 1.357969565480245
Energy: 1.3397559787260593
Energy: 1.3579695654796797
Energy: 1.339755335899962
Energy: 1.357969565480245
Energy: 1.3397536050448302
Energy: 1.4794841018606424
Energy: 1.3274879640161938
Energy: 1.479484101862904
Energy: 1.3274879640161938
Energy: 1.4794841018612077
Energy: 1.3274879640161938
Energy: 1.2574649537561198
Energy: 1.6368137752455052
Energy: 1.2574649537555542
Energy: 1.6368137752110126
Energy: 1.257464953754989
Energy: 1.6368137751719964
Energy: 1.534497271347496
Energy: 1.5413956731093006
Energy: 1.5344972713480611
Energy: 1.541395673109866
Energy: 1.5344972713469303
Energy: 1.5413956731104317
Energy: 1.205387940173973
Energy: 1.9415720711505033
Energy: 1.2053879401722765
Energy: 1.9415720711510687
Energy: 1.205387940172842
Energy: 1.9415720711510687

minimum gb energy = 0.8768851919208449 eV
minimum distance =  2.68065200714571 Angstroms
sigma value = 33


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

Energy: 1.7251493523108727
Energy: 1.6414403458794555
Energy: 1.643743814784149
Energy: 1.6414403458794555
Energy: 1.7251493523108727
Energy: 1.6414403458794555
Energy: 1.9091544455914602
Energy: 1.3918938506878114
Energy: 1.9091544455914602
Energy: 1.3918938506878114
Energy: 1.9091544455882439
Energy: 1.3918938506878114
Energy: 1.2312641392709927
Energy: 1.38933621496894
Energy: 1.231264139274209
Energy: 1.3893361950691099
Energy: 1.2312641392709927
Energy: 1.389336157034417
Energy: 1.588162593113595
Energy: 0.988178057023138
Energy: 1.588162593113595
Energy: 0.9951097449346703
Energy: 1.588162593116811
Energy: 1.001666158689456
Energy: 1.436921833747987
Energy: 1.473587831755249
Energy: 1.436921833747987
Energy: 1.4735878317456004
Energy: 1.436921833747987
Energy: 1.4735878317230866
Energy: 1.4335175824668336
Energy: 1.1126158486506679
Energy: 1.4335175824700497
Energy: 1.1126158486249378
Energy: 1.433517582463617
Energy: 1.1126158486603166
Energy: 1.7871621124477486
Energy: 1.6087379513742677
Energy: 1.7871621124445323
Energy: 1.6087379513742677
Energy: 1.7871621124477486
Energy: 1.6087379513710516
Energy: 1.1514111870243937
Energy: 1.6929298253829403
Energy: 1.1514111870276096
Energy: 1.6929298253732916
Energy: 1.1514111870243937
Energy: 1.692929825363643
Energy: 1.452998584227519
Energy: 1.2369934258117417
Energy: 1.452998584227519
Energy: 1.2369934258117417
Energy: 1.452998584227519
Energy: 1.2369934258117417
Energy: 1.1736768363525492
Energy: 1.6190009075117184
Energy: 1.1736772444114307
Energy: 1.1075885507507843
Energy: 1.1736768363557655
Energy: 1.1153915225670574
Energy: 1.6378251000354098
Energy: 1.178277423635459
Energy: 1.6378250240721028
Energy: 1.1782774236386166
Energy: 1.6378249433669143
Energy: 1.178277423635459
Energy: 1.2330520320449838
Energy: 1.314333340228539
Energy: 1.2330519711656516
Energy: 1.314333340228539
Energy: 1.2330520320449838
Energy: 1.3143333402253228
Energy: 1.6715601341370434
Energy: 1.1932887085312538
Energy: 1.6715601323528366
Energy: 1.1932887085312538
Energy: 1.671560129002954
Energy: 1.19328870853447
Energy: 1.6014885968002595
Energy: 1.7109786758929604
Energy: 1.6014885968002595
Energy: 1.7109786756100465
Energy: 1.6014885968002595
Energy: 1.7109786747677953
Energy: 1.4853704040686098
Energy: 1.3900333122950248
Energy: 1.4853704040653937
Energy: 1.3900333122918087
Energy: 1.4853704040653937
Energy: 1.390033312285376
Energy: 1.2312394731338956
Energy: 1.3900498311109042
Energy: 1.2312394731338956
Energy: 1.3900498311141205
Energy: 1.2312394731338956
Energy: 1.3900498311109042
Energy: 1.7576715982486204
Energy: 1.4733309171256852
Energy: 1.7576715982454039
Energy: 1.4733309171256852
Energy: 1.7576715982486204
Energy: 1.4733309171256852
Energy: 1.4336004138525476
Energy: 1.2129365397223761
Energy: 1.433600386696831
Energy: 1.2129365397223761
Energy: 1.4336002902228961
Energy: 1.2129365397191598
Energy: 1.3988982512980728
Energy: 1.42501542336888
Energy: 1.398898251301289
Energy: 1.425015423240288
Energy: 1.3988982512980728
Energy: 1.4250154229605905
Energy: 1.638646502596628
Energy: 1.602452601404964
Energy: 1.638646502596628
Energy: 1.6024526014017475
Energy: 1.638646502596628
Energy: 1.6024526014017475
Energy: 1.1493868962011808
Energy: 1.9052745424652235
Energy: 1.1493868962011808
Energy: 1.9052745424652235
Energy: 1.1493868962011808
Energy: 1.9052745424652235
Energy: 1.070800565069296
Energy: 1.2370657091959583
Energy: 0.708743445897817
Energy: 1.2370657091959583
Energy: 0.7088159633476458
Energy: 1.2370657091959583
Energy: 1.1741764115794868
Energy: 1.6214662332867817
Energy: 1.1741727870504455
Energy: 1.6214650421105026
Energy: 1.1741764115794868
Energy: 1.6214604389506704
Energy: 1.567130509482643
Energy: 1.4361454158114897
Energy: 1.567130509482643
Energy: 1.4361454158114897
Energy: 1.567130509482643
Energy: 1.4361454158114897
Energy: 1.231316496067208
Energy: 1.4546611055290608
Energy: 1.2312821863867367
Energy: 1.454661105519412
Energy: 1.231316496067208
Energy: 1.4546611054969565
Energy: 1.6803709807290417
Energy: 1.6499175232606507
Energy: 1.5999512667843727
Energy: 1.6499175232606507
Energy: 1.6803709807290417
Energy: 1.6499175232606507
Energy: 1.680439500854509
Energy: 1.6446575430527757
Energy: 1.5999834414969645
Energy: 1.6446575430495596
Energy: 1.6804395008512927
Energy: 1.6446575430527757
Energy: 1.2315715576637656
Energy: 1.4538669701845823
Energy: 1.2315715576637656
Energy: 1.453866970181366
Energy: 1.2315715576637656
Energy: 1.4538669701877986
Energy: 1.6229369891192968
Energy: 1.391626970108433
Energy: 1.6229369891192968
Energy: 1.391626970108433
Energy: 1.6229369891160803
Energy: 1.391626970108433
Energy: 1.174078685441133
Energy: 1.147172208170604
Energy: 1.174078685441133
Energy: 1.146450078290358
Energy: 1.174078685441133
Energy: 1.1474164944254304
Energy: 1.4338190732043576
Energy: 1.237080635315688
Energy: 1.4338181015047273
Energy: 1.237080635315688
Energy: 1.4338147885606332
Energy: 1.237080635315688
Energy: 1.191908471147563
Energy: 1.8435464170790992
Energy: 1.191908471147563
Energy: 1.8435464170790992
Energy: 1.191908471147563
Energy: 1.8435464170758828
Energy: 1.6432714381884561
Energy: 1.6024935753973093
Energy: 1.6432714381884561
Energy: 1.6024935753973093
Energy: 1.6432714381916724
Energy: 1.6024935754005258
Energy: 1.3918740564706176
Energy: 1.484885036127837
Energy: 1.3918740564738337
Energy: 1.4848850361085395
Energy: 1.3918740564738337
Energy: 1.484885036060354
Energy: 1.3898327404854975
Energy: 1.2312021571080183
Energy: 1.3898327404469608
Energy: 1.2312021571080183
Energy: 1.389832740395501
Energy: 1.2312021571080183
Energy: 1.47283849981306
Energy: 1.5894389628594106
Energy: 1.472838395761788
Energy: 1.5894389628626269
Energy: 1.4728382065302212
Energy: 1.5894389628626269
Energy: 1.2311449518826563
Energy: 1.4351218527487817
Energy: 1.231132490601722
Energy: 1.4351218527391916
Energy: 1.2311449518826563
Energy: 1.4351218527038128
Energy: 1.4249601618545218
Energy: 1.4011938016933094
Energy: 1.424960161851306
Energy: 1.4011938016547145
Energy: 1.424960161851306
Energy: 1.401193801677228
Energy: 1.6017859412348332
Energy: 1.7865797930342098
Energy: 1.6017859412380497
Energy: 1.7865797930342098
Energy: 1.6017859412348332
Energy: 1.7865797930374256
Energy: 1.7209046875730836
Energy: 1.1506984974553338
Energy: 1.7209046853773127
Energy: 1.150698497452118
Energy: 1.720904679671021
Energy: 1.150698497452118
Energy: 1.2330127148139738
Energy: 1.2403280583149292
Energy: 1.2330127148139738
Energy: 1.2403280583149292
Energy: 1.2330127148139738
Energy: 1.2403280583149292

minimum gb energy = 0.708743445897817 eV
minimum distance =  2.72821943795052 Angstroms
sigma value = 51


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

Energy: 1.5310480466496337
Energy: 1.5022169271100445
Energy: 1.5310480466488883
Energy: 1.502216927109299
Energy: 1.5310480466503789
Energy: 1.502216927109299
Energy: 1.7629245094243222
Energy: 1.340641424033273
Energy: 1.7629245094205963
Energy: 1.340641424033273
Energy: 1.7629245094198511
Energy: 1.340641424033273
Energy: 1.4244050789643663
Energy: 0.8386923619080013
Energy: 1.4244050789643663
Energy: 0.8400948951894804
Energy: 1.424405078962131
Energy: 0.838252644815555
Energy: 1.4394087681933718
Energy: 1.1854683089196554
Energy: 1.4394087681933718
Energy: 1.1854683089196554
Energy: 1.4394087681941168
Energy: 1.1854683089189104
Energy: 1.4976348331758753
Energy: 1.4590815575759009
Energy: 1.4976348331751301
Energy: 1.4590815575766458
Energy: 1.4976348331758753
Energy: 1.4590815575744103
Energy: 1.5351990955657724
Energy: 1.459086130356522
Energy: 1.5351990955672632
Energy: 1.459086130355777
Energy: 1.5351990955657724
Energy: 1.4590861303550315
Energy: 1.579482949841326
Energy: 1.4598107297999945
Energy: 1.5794829498420713
Energy: 1.4598107297977592
Energy: 1.5794829498420713
Energy: 1.45981072980074
Energy: 1.3236798351699408
Energy: 1.4601505616300012
Energy: 1.3236798351692634
Energy: 1.46015056152276
Energy: 1.3236798351692634
Energy: 1.4601505612896466
Energy: 1.682545120680029
Energy: 1.181335568372238
Energy: 1.682545120680029
Energy: 1.181335568372983
Energy: 1.6825451206755577
Energy: 1.181335568372983
Energy: 1.234213481635136
Energy: 1.7198851350436426
Energy: 1.234213481635136
Energy: 1.719885135044388
Energy: 1.2342134816358814
Energy: 1.719885135044388
Energy: 1.7903039162352814
Energy: 1.1881813087132485
Energy: 1.7903039161823722
Energy: 1.1881813087132485
Energy: 1.790303916101958
Energy: 1.1881813087132485
Energy: 1.5228691642933547
Energy: 1.6051956635169256
Energy: 1.5228691642933547
Energy: 1.6051956635161801
Energy: 1.5228691642941
Energy: 1.605195663515435
Energy: 1.7851944001730435
Energy: 1.341073089729026
Energy: 1.7851944001737887
Energy: 1.3410730897297714
Energy: 1.7851944001730435
Energy: 1.341073089728281
Energy: 1.4241001716800472
Energy: 1.3663787382645176
Energy: 1.4241001716800472
Energy: 1.3663787382645176
Energy: 1.4241001716800472
Energy: 1.3663787382615367
Energy: 1.4566485179519628
Energy: 1.5117929503901364
Energy: 1.4566485179534536
Energy: 1.5117929503908816
Energy: 1.4566485179512179
Energy: 1.5117929503908816
Energy: 1.5316859355828196
Energy: 1.4592017877657875
Energy: 1.5316859355843098
Energy: 1.4592017877657875
Energy: 1.531685935583565
Energy: 1.4592017877672776
Energy: 1.4965439224838473
Energy: 1.628199889999387
Energy: 1.496543922483102
Energy: 1.6281998900008776
Energy: 1.4965439224845927
Energy: 1.6281998900016228
Energy: 1.3808743427059154
Energy: 1.4615289060154615
Energy: 1.3808743427066608
Energy: 1.461528906013971
Energy: 1.3808743427059154
Energy: 1.4615289060162067

minimum gb energy = 0.838252644815555 eV
minimum distance =  2.63695083356903 Angstroms
sigma value = 19


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

Energy: 1.1730904388055672
Energy: 1.1311257097225051
Energy: 1.1730904388055672
Energy: 1.131125709722063
Energy: 1.173090438805125
Energy: 1.1311257097225051
Energy: 1.4586853982232828
Energy: 1.5282192429893902
Energy: 1.018103486746295
Energy: 1.5282192429898325
Energy: 1.1336425867642963
Energy: 1.5282192429902746
Energy: 1.072426448762849
Energy: 1.5249520611252578
Energy: 1.072426448763733
Energy: 1.5249520611257
Energy: 1.072426448764175
Energy: 1.5249520611243739
Energy: 1.2249040847482846
Energy: 1.072405462217208
Energy: 1.2249040847487265
Energy: 1.072405462217208
Energy: 1.2249040847482846
Energy: 1.072405462217208
Energy: 1.1328101786629716
Energy: 1.1681255255531917
Energy: 1.1328101786634137
Energy: 1.1681255255531917
Energy: 1.1328101786629716
Energy: 1.1681255255536338
Energy: 1.1327738107904497
Energy: 1.1682189283588138
Energy: 1.1327738107904497
Energy: 1.1682189283579298
Energy: 1.1327738107913339
Energy: 1.1682189283574878
Energy: 1.2251329183830424
Energy: 1.072411202423733
Energy: 1.2251329183826003
Energy: 1.072411202423733
Energy: 1.2251329183826003
Energy: 1.072411202423733
Energy: 1.0725279814352147
Energy: 1.5248608966136858
Energy: 1.0725279814352147
Energy: 1.5248608966136858
Energy: 1.0725279814356568
Energy: 1.524860896612802
Energy: 1.6902599306098787
Energy: 1.5282235385787224
Energy: 1.6902599306094366
Energy: 1.5282235385791643
Energy: 1.6902599306085528
Energy: 1.5282235385782803
Energy: 1.1730904388060093
Energy: 1.1311257097225051
Energy: 1.1730904388055672
Energy: 1.1311257097225051
Energy: 1.1730904388055672
Energy: 1.131125709722063
Energy: 1.45867867648906
Energy: 1.5282192429893902
Energy: 1.017925522577029
Energy: 1.5282192429893902
Energy: 1.1333735944320413
Energy: 1.5282192429898325
Energy: 1.072426448763733
Energy: 1.5249520611257
Energy: 1.072426448762849
Energy: 1.5249520611270262
Energy: 1.072426448763733
Energy: 1.5249520611257
Energy: 1.2249040847491686
Energy: 1.0724054622176498
Energy: 1.2249040847496107
Energy: 1.072405462217208
Energy: 1.2249040847491686
Energy: 1.0724054622176498
Energy: 1.1328101786634137
Energy: 1.1681255255531917
Energy: 1.1328101786629716
Energy: 1.1681255255531917
Energy: 1.1328101786629716
Energy: 1.1681255255527498
Energy: 1.1327738107900076
Energy: 1.1682189283579298
Energy: 1.1327738107891236
Energy: 1.1682189283579298
Energy: 1.1327738107900076
Energy: 1.1682189283579298
Energy: 1.2251329183821582
Energy: 1.072411202423733
Energy: 1.2251329183821582
Energy: 1.072411202423733
Energy: 1.2251329183817163
Energy: 1.072411202424175
Energy: 1.0725279814347728
Energy: 1.5248608966132438
Energy: 1.0725279814352147
Energy: 1.52486089661236
Energy: 1.0725279814352147
Energy: 1.524860896612802
Energy: 1.6902599306089945
Energy: 1.5282235385778382
Energy: 1.6902599306103208
Energy: 1.5282235385778382
Energy: 1.6902599306103208
Energy: 1.528223538576954
Energy: 1.1730904388060093
Energy: 1.1311257097229472
Energy: 1.1730904388055672
Energy: 1.131125709722063
Energy: 1.1730904388055672
Energy: 1.1311257097225051
Energy: 1.4586870312797828
Energy: 1.5282192429893902
Energy: 1.0180758058629469
Energy: 1.5282192429889483
Energy: 1.1342093647777112
Energy: 1.5282192429902746
Energy: 1.072426448763733
Energy: 1.524952061124816
Energy: 1.072426448763733
Energy: 1.524952061126142
Energy: 1.072426448762849
Energy: 1.5249520611257
Energy: 1.2249040847496107
Energy: 1.072405462217208
Energy: 1.2249040847496107
Energy: 1.072405462217208
Energy: 1.2249040847496107
Energy: 1.072405462217208
Energy: 1.1328101786634137
Energy: 1.1681255255527498
Energy: 1.1328101786634137
Energy: 1.1681255255527498
Energy: 1.1328101786629716
Energy: 1.1681255255527498
Energy: 1.1327738107904497
Energy: 1.168218928360582
Energy: 1.1327738107900076
Energy: 1.168218928360582
Energy: 1.1327738107900076
Energy: 1.168218928360582
Energy: 1.2251329183821582
Energy: 1.072411202423733
Energy: 1.2251329183821582
Energy: 1.072411202423733
Energy: 1.2251329183826003
Energy: 1.0724112024232908
Energy: 1.0725279814352147
Energy: 1.52486089661236
Energy: 1.0725279814347728
Energy: 1.5248608966132438
Energy: 1.0725279814352147
Energy: 1.5248608966132438
Energy: 1.6902599306094366
Energy: 1.5282235385778382
Energy: 1.6902599306094366
Energy: 1.528223538576954
Energy: 1.6902599306076684
Energy: 1.5282235385778382
Energy: 1.1730904388060093
Energy: 1.1311257097225051
Energy: 1.1730904388060093
Energy: 1.1311257097225051
Energy: 1.1730904388055672
Energy: 1.1311257097225051
Energy: 1.4586841320471353
Energy: 1.5282192429889483
Energy: 1.0181241445950686
Energy: 1.5282192429889483
Energy: 1.1334703877966668
Energy: 1.5282192429902746
Energy: 1.072426448763733
Energy: 1.524952061124816
Energy: 1.072426448764175
Energy: 1.524952061126142
Energy: 1.0724264487632909
Energy: 1.524952061124816

minimum gb energy = 1.017925522577029 eV
minimum distance =  2.65695055296529 Angstroms
sigma value = 27


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

Energy: 1.1474376249589147
Energy: 1.0924615048054622
Energy: 1.1474376249599973
Energy: 1.0924615048043795
Energy: 1.1474376249599973
Energy: 1.0924615048043795
Energy: 1.311779696241189
Energy: 1.130077894946911
Energy: 1.3117796961881336
Energy: 1.130077894946911
Energy: 1.3117796960766592
Energy: 1.1300778949458286
Energy: 1.1141100028021198
Energy: 1.288725000441873
Energy: 1.114110002801037
Energy: 1.2887250004407904
Energy: 1.1141100028042852
Energy: 1.288725000441873
Energy: 1.3462398365258297
Energy: 1.0629606092569988
Energy: 1.3462398365258297
Energy: 1.0629606092569988
Energy: 1.3462398365258297
Energy: 1.0629606092559163
Energy: 1.3435755230660686
Energy: 1.0627658508829845
Energy: 1.3435755230639033
Energy: 1.0627658508829845
Energy: 1.3435755230649857
Energy: 1.0627658508829845
Energy: 1.3690434076512705
Energy: 1.4497079288172656
Energy: 1.3690434076523534
Energy: 1.4497079288161832
Energy: 1.3690434076501878
Energy: 1.4497079288172656
Energy: 1.0638480201027978
Energy: 1.13443805434011
Energy: 1.0638480201027978
Energy: 1.1344380543390273
Energy: 1.0638480201027978
Energy: 1.13443805434011
Energy: 1.1387895501053253
Energy: 1.0946288272810347
Energy: 1.1387895501064078
Energy: 1.0946288272810347
Energy: 1.1387895501053253
Energy: 1.0946288272810347
Energy: 1.3498973373999168
Energy: 1.1140301033942555
Energy: 1.3498973374009995
Energy: 1.1140301031637272
Energy: 1.3498973373966685
Energy: 1.114030103085818
Energy: 1.2383567899268026
Energy: 1.3890901713894035
Energy: 1.2383567899278853
Energy: 1.3890901713807413
Energy: 1.2383567899268026
Energy: 1.3890901713417623
Energy: 1.2412478770161406
Energy: 1.0651884251478414
Energy: 1.1910301612608103
Energy: 1.0651884251478414
Energy: 1.1910301612608103
Energy: 1.0651884251478414
Energy: 1.4184087146107764
Energy: 1.3265951340007258
Energy: 1.4184087146118591
Energy: 1.3265951339920639
Energy: 1.418408714612942
Energy: 1.3265951339671604

minimum gb energy = 1.0627658508829845 eV
minimum distance =  2.63213667178564 Angstroms
sigma value = 9


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

Energy: 1.276060029604058
Energy: 1.105826309158153
Energy: 1.276060029604058
Energy: 1.105826309158153
Energy: 1.276060029604058
Energy: 1.105826309158153
Energy: 1.1451319808963252
Energy: 1.0591060360516085
Energy: 1.145131979862393
Energy: 1.0204915651298092
Energy: 1.1451319799171538
Energy: 1.0204915651298092
Energy: 0.9593963415551466
Energy: 1.1578896919509474
Energy: 0.9593963415551466
Energy: 1.1578896916164627
Energy: 0.9593963415521042
Energy: 1.157889693355872
Energy: 1.0342264444956129
Energy: 0.9886638873999027
Energy: 1.0342264444956129
Energy: 0.9886638873999027
Energy: 1.034226444498655
Energy: 0.9886638873999027
Energy: 1.0508783600764344
Energy: 1.0469507715151491
Energy: 1.0508783600794767
Energy: 1.0469507715151491
Energy: 1.0508783600764344
Energy: 1.0469507715121071
Energy: 1.1480361072726384
Energy: 0.895103077709308
Energy: 1.1480361072300465
Energy: 0.83265999802569
Energy: 1.1480361071114529
Energy: 0.8378280492543296
Energy: 1.1060246766075892
Energy: 1.0714777097451618
Energy: 1.1060246766106312
Energy: 1.0714777097451618
Energy: 1.1060246764920378
Energy: 1.0714777097451618
Energy: 0.9619658918091747
Energy: 1.098697645171613
Energy: 0.9619658918091747
Energy: 1.098697645171613
Energy: 0.9619658918091747
Energy: 1.098697645171613
Energy: 0.8426437176270983
Energy: 1.0481374779224215
Energy: -1.3298004828655068
Energy: 1.0481374779224215
Energy: -1.577560064109727
Energy: 1.0481374779224215
Energy: 1.0483214463970252
Energy: 1.2127446035976333
Energy: 1.048321444882634
Energy: 1.2127446011162397
Energy: 1.048321441434238
Energy: 1.2127446014233993
Energy: 1.0308406281939073
Energy: 0.9987211686788278
Energy: 1.0308406281969498
Energy: 0.9987211686788278
Energy: 1.0308406281939073
Energy: 0.9987211686788278
Energy: 1.0067451884002008
Energy: 1.115139977583597
Energy: 1.0067451884002008
Energy: 1.1151399775470896
Energy: 1.0067451884002008
Energy: 1.1151399773737352
Energy: 1.2738071320973634
Energy: 1.0924645883223407
Energy: 1.2738040107303517
Energy: 1.0924645882827912
Energy: 1.273797021801225
Energy: 1.0924645882371569
Energy: 1.2556950557592281
Energy: 1.159266221476807
Energy: 1.255695055768355
Energy: 1.1286164664123914
Energy: 1.255695055707565
Energy: 1.159266221479849
Energy: 0.9968341682330855
Energy: 1.0449178307539186
Energy: 0.9968341682361279
Energy: 1.0449178307508766
Energy: 0.9968341682361279
Energy: 1.0449178307539186
Energy: 0.8861505745165286
Energy: 1.22842854691276
Energy: 0.8847638466622592
Energy: 1.2284285468884772
Energy: 0.8726118899724588
Energy: 1.2284285468610967
Energy: 1.3002366269497523
Energy: 0.9889629192934708
Energy: 1.3002366269527943
Energy: 0.9889629192934708
Energy: 1.3002366269497523
Energy: 0.9889629192934708
Energy: 1.018605816345148
Energy: 1.0013937997930191
Energy: 1.0186058163421055
Energy: 1.0013937997930191
Energy: 1.0186058163421055
Energy: 1.0013937997899771
Energy: 0.9557258010067055
Energy: 1.2964401588490666
Energy: 0.9557258010067055
Energy: 1.296440158842982
Energy: 0.9557258010067055
Energy: 1.2964401588247283
Energy: 1.2991522011636107
Energy: 1.0061137119104726
Energy: 1.2991522011636107
Energy: 0.959162067967368
Energy: 1.2991522011636107
Energy: 1.0061137119135148
Energy: 0.9691231404583315
Energy: 1.2969748599435091
Energy: 0.9691231404552892
Energy: 1.2969748599495383
Energy: 0.9691231404583315
Energy: 1.2969748599435091
Energy: 1.0127598232483803
Energy: 1.0016629295722226
Energy: 1.012759823245338
Energy: 1.0016629295722226
Energy: 1.012759823245338
Energy: 1.0016629295722226
Energy: 1.3001032302905453
Energy: 0.9889800275746049
Energy: 1.3001032302905453
Energy: 0.9889800275715627
Energy: 1.3001032302905453
Energy: 0.9889800275746049
Energy: 1.1697818082562659
Energy: 1.16916487407182
Energy: 0.8722836610219865
Energy: 1.1691648740201566
Energy: 0.8724036028474046
Energy: 1.1691648739775649
Energy: 0.9978685496557507
Energy: 1.0442649091150498
Energy: 0.9978685496557507
Energy: 1.0442649091150498
Energy: 0.9978685496557507
Energy: 1.0442649091150498
Energy: 1.2556594407591908
Energy: 1.1285264808055604
Energy: 1.2556594407652752
Energy: 1.1285264808086026
Energy: 1.2556594407652752
Energy: 1.1285264808025182
Energy: 1.271834785427843
Energy: 1.0924366295223467
Energy: 0.876937162478754
Energy: 1.0924366294919239
Energy: 0.8766676689620134
Energy: 1.0924366294219514
Energy: 1.0067136924501177
Energy: 1.1127013771140553
Energy: 1.0067136924501177
Energy: 1.1127013770958014
Energy: 1.0067136924501177
Energy: 1.1127013770045884
Energy: 1.0307938550576752
Energy: 0.9981170036307785
Energy: 1.0307938550607172
Energy: 0.9981170036307785
Energy: 1.0307938550607172
Energy: 0.9981170036307785
Energy: 1.0483484113943105
Energy: 1.0767872862083265
Energy: 1.0483484106796515
Energy: 1.0767860096692026
Energy: 1.0483484079489018
Energy: 1.0767861525776055
Energy: 1.0577188297670987
Energy: 1.0478876825937316
Energy: 0.8303052839433799
Energy: 1.0478876825937316
Energy: 0.8303325932344995
Energy: 1.0478876825937316
Energy: 0.9615753257616398
Energy: 1.0990393591644882
Energy: 0.9615753257616398
Energy: 1.0990393591675307
Energy: 0.9615753257616398
Energy: 1.0990393591644882
Energy: 1.1059469939643674
Energy: 1.0731604705751188
Energy: 1.1059469939126487
Energy: 1.0731604705781057
Energy: 1.105946993772759
Energy: 1.0731604705751188
Energy: 1.1476660729529178
Energy: 0.9005610604846777
Energy: 1.1476660729377064
Energy: 0.9010536806805051
Energy: 1.1476660728525776
Energy: 0.9004474804820799
Energy: 1.0501375679940999
Energy: 1.0458382443644436
Energy: 1.0501375679910576
Energy: 1.0458382443644436
Energy: 1.0501375679910576
Energy: 1.045838244367486
Energy: 1.033777998920171
Energy: 0.9884601541745061
Energy: 1.033777998920171
Energy: 0.9884601541805906
Energy: 1.033777998920171
Energy: 0.9884601541805906
Energy: 0.9590691165641144
Energy: 1.1576097720031264
Energy: 0.9590691165641144
Energy: 1.1576097702272652
Energy: 0.9590691165641144
Energy: 1.1576097674295855
Energy: 1.1444148391293907
Energy: 1.021819909458784
Energy: 1.144414839132433
Energy: 1.0218020663039187
Energy: 1.1444148391293907
Energy: 0.8475083589438543
Energy: 1.276060029604058
Energy: 1.105826309158153
Energy: 1.276060029604058
Energy: 1.105826309158153
Energy: 1.276060029604058
Energy: 1.1058263091551108
Energy: 1.145131982048851
Energy: 1.0895744435250434
Energy: 1.1451319819910477
Energy: 1.059106036057693
Energy: 1.1451319821704868
Energy: 1.0591060360546505
Energy: 0.9593963415521042
Energy: 1.15788969288454
Energy: 0.9593963415551466
Energy: 1.15788969261693
Energy: 0.9593963415521042
Energy: 1.1578896925986761
Energy: 1.0342264444956129
Energy: 0.9886638873999027
Energy: 1.0342264444956129
Energy: 0.9886638873999027
Energy: 1.0342264444956129
Energy: 0.9886638873999027
Energy: 1.0508783600764344
Energy: 1.0469507715151491
Energy: 1.0508783600794767
Energy: 1.0469507715121071
Energy: 1.0508783600794767
Energy: 1.0469507715121071

minimum gb energy = -1.577560064109727 eV
minimum distance =  2.70599164316965 Angstroms
sigma value = 57


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

Energy: 0.5403791607840519
Energy: 0.5499444710041856
Energy: 0.5403791607833593
Energy: 0.5499444710034931
Energy: 0.5403791607840519
Energy: 0.5499444710041856
Energy: 0.658100034388217
Energy: 0.5417836299929537
Energy: 0.6581000343875245
Energy: 0.5417836299915686
Energy: 0.658100034388217
Energy: 0.5417836299922612
Energy: 0.5996785900948339
Energy: 0.647771749874784
Energy: 0.5996785900948339
Energy: 0.647771749874784
Energy: 0.5996785900941414
Energy: 0.6477717498740914
Energy: 0.5529002900151955
Energy: 0.5404753500888213
Energy: 0.552900290015888
Energy: 0.5404753500895139
Energy: 0.5529002900151955
Energy: 0.5404753500895139
Energy: 0.6548271895218923
Energy: 0.6659273259959021
Energy: 0.6548271895218923
Energy: 0.6659273259965947
Energy: 0.6548271895218923
Energy: 0.6659273259965947
Energy: 0.54028777866681
Energy: 0.5989739632763754
Energy: 0.5402877786661175
Energy: 0.5989739632770679
Energy: 0.54028777866681
Energy: 0.5989739632756829
Energy: 0.5402743324588148
Energy: 0.5986774824842279
Energy: 0.5402743324581223
Energy: 0.5986774824835354
Energy: 0.5402743324574297
Energy: 0.5986774824842279
Energy: 0.6578876737047962
Energy: 0.6663163039073484
Energy: 0.6578876737047962
Energy: 0.666316303906656
Energy: 0.6578876737047962
Energy: 0.6663163039073484
Energy: 0.5528844249183219
Energy: 0.5404779132913268
Energy: 0.5528844249183219
Energy: 0.5404779132913268
Energy: 0.5528844249190145
Energy: 0.5404779132913268
Energy: 0.599562122272251
Energy: 0.6460983279488963
Energy: 0.599562122272251
Energy: 0.6460983279482038
Energy: 0.599562122273636
Energy: 0.6460983279488963
Energy: 0.6571922729939537
Energy: 0.5416453362895197
Energy: 0.6571922729939537
Energy: 0.5416453362881347
Energy: 0.6571922729946461
Energy: 0.5416453362902124
Energy: 0.5403791607833593
Energy: 0.5499444710034931
Energy: 0.5403791607833593
Energy: 0.5499444710041856
Energy: 0.5403791607833593
Energy: 0.5499444710034931
Energy: 0.658100034388217
Energy: 0.5417836299929537
Energy: 0.658100034388217
Energy: 0.5417836299915686
Energy: 0.658100034388217
Energy: 0.5417836299929537
Energy: 0.5996785900941414
Energy: 0.6477717498740914
Energy: 0.5996785900948339
Energy: 0.6477717498740914
Energy: 0.5996785900948339
Energy: 0.6477717498740914
Energy: 0.5529002900151955
Energy: 0.5404753500888213
Energy: 0.552900290015888
Energy: 0.5404753500888213
Energy: 0.552900290015888
Energy: 0.5404753500895139
Energy: 0.6548271895218923
Energy: 0.6659273259965947
Energy: 0.6548271895211998
Energy: 0.6659273259965947
Energy: 0.6548271895218923
Energy: 0.6659273259965947
Energy: 0.54028777866681
Energy: 0.5989739632763754
Energy: 0.5402877786661175
Energy: 0.5989739632777605
Energy: 0.54028777866681
Energy: 0.5989739632763754
Energy: 0.5402743324581223
Energy: 0.5986774824842279
Energy: 0.5402743324588148
Energy: 0.5986774824842279
Energy: 0.5402743324574297
Energy: 0.5986774824835354
Energy: 0.6578876737047962
Energy: 0.6663163039073484
Energy: 0.6578876737054886
Energy: 0.6663163039073484
Energy: 0.6578876737054886
Energy: 0.6663163039073484

minimum gb energy = 0.5402743324574297 eV
minimum distance =  2.82729088419646 Angstroms
sigma value = 11


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

Energy: 0.8090842719211739
Energy: 1.0566613468360333
Energy: 0.8090842719211739
Energy: 1.0566613468360333
Energy: 0.8090842719217273
Energy: 1.0566613468355721
Energy: 1.0586362289275206
Energy: 0.9918919926497938
Energy: 1.0586362289265059
Energy: 0.9918919926497938
Energy: 1.0586362289279818
Energy: 0.9918919926492406
Energy: 1.1018261796878537
Energy: 1.5798643349596675
Energy: 1.1018261796883146
Energy: 1.5798643349631725
Energy: 1.1018261796888684
Energy: 1.5798643349540413
Energy: 1.193293953772169
Energy: 0.18463714747194346
Energy: 1.1932939537731837
Energy: 0.1832171485861245
Energy: 1.193293953772169
Energy: 0.18328626935402298
Energy: 1.0220518895199397
Energy: 0.7317986896346702
Energy: 1.0220518895219688
Energy: 0.7317986896351313
Energy: 1.022051889520954
Energy: 0.7317986896341168
Energy: 0.940265157688577
Energy: 1.0912849818975925
Energy: 0.9402651576871012
Energy: 1.0912849818940877
Energy: 0.9402651576891303
Energy: 1.0912849818961168
Energy: 0.22753323634724493
Energy: 1.3422393535419832
Energy: 0.23291189123496106
Energy: 1.342239353543551
Energy: 0.2320886840741278
Energy: 1.3422393535374635
Energy: 1.1335904969212836
Energy: 0.22453875875248674
Energy: 1.1335904969222979
Energy: 0.22327778167903237
Energy: 1.1335904969218367
Energy: 0.22029912158984885
Energy: 1.0479658131672562
Energy: 0.22432235927866948
Energy: 1.0479658131652272
Energy: 0.2162647249868202
Energy: 1.0479658131652272
Energy: 0.23191743169321333
Energy: 0.18311778751689325
Energy: 1.3734895109281042
Energy: 0.17752434650557009
Energy: 1.3734895109285652
Energy: 0.17510423170828984
Energy: 1.3734895109265362
Energy: 1.476602114616699
Energy: 1.1680047296386913
Energy: 1.4766021146152233
Energy: 1.168004729640167
Energy: 1.4766021146156842
Energy: 1.168004729630021
Energy: 1.0092742012378004
Energy: 0.371727643763176
Energy: 1.009274201238815
Energy: 0.3725042791085906
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Energy: 0.5498687624797706
Energy: 0.1889153653601569
Energy: 0.4822678865634743
Energy: 0.1933955594441315
Energy: 0.4820833941739934
Energy: 1.078799733615217
Energy: 1.2946122018848039
Energy: 1.0787997503195714
Energy: 1.2946116348152994
Energy: 1.0787997444572843
Energy: 1.294609939354517
Energy: 0.4689956709026924
Energy: 0.9078756560391928
Energy: 0.46601965777637677
Energy: 0.9078756560386395
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Energy: 0.9078756560381783
Energy: 1.0461038693412317
Energy: 0.8749611410229331
Energy: 1.046103869345751
Energy: 0.8749611410234864
Energy: 1.0461038693442752
Energy: 0.8749611410239475
Energy: 0.18275247410441445
Energy: 1.3758947990132744
Energy: 0.1813838145976204
Energy: 1.3758947990128134
Energy: 0.18228046767360523
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Energy: 1.618201755241083
Energy: 1.1853110883032023
Energy: 1.6182017552385004
Energy: 1.1853110883032023
Energy: 1.618201755239515
Energy: 1.1853110883016342

minimum gb energy = -1.4104396865224353 eV
minimum distance =  2.68056592688563 Angstroms
sigma value = 41


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

Energy: 0.9138213366185312
Energy: 0.825413165746409
Energy: 0.9138213366185312
Energy: 0.825413165746409
Energy: 0.9138213366189311
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Energy: -0.9152669951200785
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Energy: -0.9008185112237534
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Energy: 0.5571059773340155
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Energy: 0.5570822889180116
Energy: 1.0311206073922945
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Energy: 0.5709727771885137
Energy: 1.3306408294932492
Energy: 0.5709725166493952
Energy: 1.0534437736384594
Energy: 0.570972081406533
Energy: 1.0534437736388593
Energy: 0.5704165720554092
Energy: 0.6874810931733274
Energy: 0.5704202372484248
Energy: 0.6865545633987724
Energy: 0.5704191227605262
Energy: 0.6943069468750382
Energy: 0.48647925577574935
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Energy: 0.6387291756002237
Energy: 0.4959159148834678
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Energy: -0.20581789312707188
Energy: 0.5569592239477943
Energy: -0.08518161483023505
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Energy: 0.16968262987811755
Energy: 0.5569207021881162
Energy: 0.8029896516013586
Energy: 1.2017076858132603
Energy: 0.802989651600159
Energy: 1.0562843465219347
Energy: 0.8029896516005589
Energy: 1.056284346521535
Energy: 0.6681655816196016
Energy: 1.1968226957266503
Energy: 0.6681639837286416
Energy: 1.1968226957282497
Energy: 0.6681628106463356
Energy: 1.1968226957290495
Energy: 1.3408089613208838
Energy: -0.18540036348155
Energy: 1.3408089613088887
Energy: -0.18840558127498397
Energy: 1.3408089613092886
Energy: -0.18589544357274546
Energy: -0.28574753754055393
Energy: -0.04567476967261283
Energy: -0.30029122917000417
Energy: 0.64905600580975
Energy: 0.04995010744812972
Energy: 0.6516418128295484
Energy: 0.8005677688539062
Energy: 0.8491228032287628
Energy: 0.8005677688519072
Energy: 0.8491228032291626
Energy: 0.8005677688535064
Energy: 0.8491228032283629
Energy: 0.5704552620619877
Energy: 0.4657834952062847
Energy: 0.570446516979029
Energy: 0.4675523280546359
Energy: 0.5704417426147412
Energy: -0.0723201994378814

minimum gb energy = -0.9500405014940242 eV
minimum distance =  2.73393415825645 Angstroms
sigma value = 33


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

Energy: 0.9252754468661544
Energy: 0.8127301572544495
Energy: 0.9252754468661544
Energy: 0.8127301572488884
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Energy: 0.7498760490580907
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Energy: -0.8170523557383887
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Energy: -0.7259465305079933
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Energy: 0.07983779925393544
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Energy: -1.2342129072242685
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Energy: -0.8047609882239348
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Energy: -1.1266957067213839
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Energy: -0.8140995095083373
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Energy: -0.8143208675416528
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Energy: -0.8217597485707417
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Energy: 1.089473484025363
Energy: -0.862770057577816
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Energy: -0.5785207523237886
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Energy: -1.2581011665567376
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Energy: -0.9278200429873334
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Energy: -0.898083973796351
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Energy: 0.08316139401514316
Energy: 1.1847161888327749
Energy: 0.08312087828786145
Energy: 1.1847161888299689
Energy: 0.08367975093765659
Energy: 1.1847161888299689

minimum gb energy = -1.7216380272773875 eV
minimum distance =  2.74537662165505 Angstroms
sigma value = 67


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

Energy: 0.9841588034207571
Energy: 0.8242436872168286
Energy: 0.9841588034207571
Energy: 0.8242436872168286
Energy: 0.9841588034207571
Energy: 0.8242436872187041
Energy: 0.780594581224521
Energy: -0.19478115578552962
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Energy: -0.17918803310870354
Energy: 0.7805768572271685
Energy: -0.1905567417056944
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Energy: 0.9747611972545795
Energy: 0.8219022489669979
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Energy: 0.7799562779944432
Energy: -0.19405698612920005
Energy: 0.779858911821596
Energy: -0.19350834756568444
Energy: 0.7799232713814944
Energy: -0.19599547893264024
Energy: 0.9841588034226326
Energy: 0.8242436872187041
Energy: 0.9841588034207571
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Energy: 0.9841588034226326
Energy: 0.8242436872187041
Energy: 0.7805969945817759
Energy: -0.18764724723931475
Energy: 0.7805889997302655
Energy: -0.20016137202697973
Energy: 0.7805708889523821
Energy: -0.18999868446742352
Energy: 0.7144299028825526
Energy: 0.9747611972545795
Energy: 0.714429902903182
Energy: 0.9747611972545795
Energy: 1.2501022290122459
Energy: 0.9747611972545795

minimum gb energy = -0.20016137202697973 eV
minimum distance =  2.75480258129062 Angstroms
sigma value = 3


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

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Energy: -1.8059923082474656
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Energy: -2.445767720046172

minimum gb energy = -3.400598635237554 eV
minimum distance =  2.67397191317991 Angstroms
sigma value = 81


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

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Energy: -1.230535439765379
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Energy: -1.2613024793522691

minimum gb energy = -2.362720839843441 eV
minimum distance =  2.71038844444706 Angstroms
sigma value = 43


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

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Energy: 1.0887051853881204
Energy: 1.1527086962714055
Energy: 1.0887051853885508
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Energy: 1.0887051853863996
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Energy: 0.2938515685301
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Energy: 0.29194179201737513
Energy: 0.7042387003693367
Energy: 0.2924985523070752
Energy: 0.7042397891320936
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Energy: 0.43814124538391264
Energy: -0.4291698483104118
Energy: 0.4382881449176034
Energy: -0.9280511610110902
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Energy: 1.1520984641408598
Energy: 1.0761360752047031
Energy: 1.1520984641404297
Energy: 1.0761360752051332
Energy: 1.1520984641417202
Energy: 1.0761360752042728
Energy: -0.6913411603270501
Energy: -1.1510415522883928
Energy: -0.378082301128043
Energy: -1.244149786530491
Energy: -0.27893983171964265
Energy: -0.969346790975362
Energy: -0.3280637316756547
Energy: -0.1910299186004475
Energy: -0.6513585623301624
Energy: -0.1931409762240289
Energy: 0.3994522163565875
Energy: -0.19093387240225815
Energy: 0.6111536809283022
Energy: -0.8844442233036413
Energy: 0.6111264141869072
Energy: -0.8269352507585336
Energy: 0.580477491963472
Energy: -0.9762177944703848
Energy: 1.030563063361311
Energy: 1.0310276574540354
Energy: 1.0305630633617413
Energy: 1.0310276574544655
Energy: 1.030563063361311
Energy: 1.0310276574544655
Energy: -0.6600533495116282
Energy: 0.7041856049403125
Energy: -0.5595062422276095
Energy: 0.7041854649957233
Energy: -0.5834586149853664
Energy: 0.7041851964324246

minimum gb energy = -1.6008771948373501 eV
minimum distance =  2.76956494612288 Angstroms
sigma value = 57


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

Energy: 0.052836185916008645
Energy: 0.9396848639701249
Energy: 0.03697295695842304
Energy: 0.9396848639695679
Energy: 0.043295991073741366
Energy: 0.9396848639701249
Energy: 0.9302395064312753
Energy: 0.7171418912029439
Energy: 0.9302395064312753
Energy: 0.7171418912029439
Energy: 0.9302395064318324
Energy: 0.7171418912035009
Energy: 1.017867128073045
Energy: 1.1244270611536893
Energy: 0.344065809697907
Energy: 1.1244270611536893
Energy: 0.44898829746811963
Energy: 1.1244270611536893
Energy: 1.2301172934934832
Energy: 0.4711320935248777
Energy: 1.2301172934934832
Energy: 0.4644792212686451
Energy: 1.2301172934957116
Energy: 0.4161220467322127
Energy: 1.1497186022869814
Energy: 0.602430653224454
Energy: 1.1497186022880956
Energy: 0.6040666767459939
Energy: 1.1497186022886525
Energy: 0.6038543632205922
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Energy: 0.6817877737221573
Energy: -1.976567077534554
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Energy: -1.4200166789013384
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Energy: 0.9856576474893943
Energy: 0.956346487239121
Energy: 0.9856576486036414
Energy: 0.9563464872407922
Energy: 0.9856576476063289
Energy: 0.8995054508887512
Energy: 0.5655370987542262
Energy: 0.8995054508893083
Energy: 0.5655370987575686
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Energy: 0.565537098752555
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Energy: -0.4238139311267047
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Energy: 0.5795606040426156
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Energy: 0.9553438043186543
Energy: 0.4493862915293871
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Energy: -0.4227642903815947
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Energy: -0.26178760236520165
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Energy: -0.2700847733179282
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Energy: -0.27031216109039913
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Energy: 0.6996995603046867
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Energy: 0.9531780254390185
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Energy: 0.659551513379497
Energy: 0.6645629258981763
Energy: 0.659551513309863
Energy: 0.6645576899071696
Energy: 0.6595515132820599
Energy: 0.664549459498288
Energy: 0.17067610732667587
Energy: 0.5956367336806163
Energy: 0.1701432347143635
Energy: 0.5956367336600046
Energy: 0.1607048668525949
Energy: 0.595636733663347
Energy: 0.6343056215186663
Energy: 0.9457816189295722
Energy: 0.6343056215186663
Energy: 0.945781618928458
Energy: 0.6343056215175522
Energy: 0.9457816189295722
Energy: 0.9726098464770281
Energy: 0.5822625519703084
Energy: 0.9726098464770281
Energy: 0.5822626207883567
Energy: 0.9726098464770281
Energy: 0.5822622816409722
Energy: 0.5808319520525849
Energy: 0.9470810546591066
Energy: 0.5808319520564844
Energy: 0.9470810546680198
Energy: 0.580831952053142
Energy: 0.9470810546596637
Energy: 0.1707875070226004
Energy: 0.5926146479334852
Energy: 0.16935815649283034
Energy: 0.5926146479345993
Energy: 0.16670192794299188
Energy: 0.592614647931814
Energy: 0.6223731455447016
Energy: 0.6636224031410878
Energy: 0.6221408757480129
Energy: 0.6636271348647141
Energy: 0.6221424524975627
Energy: 0.6636299019246895
Energy: 0.9536052769316967
Energy: 0.9546674364070074
Energy: 0.9536052769383816
Energy: 0.9546674364086786
Energy: 0.9536052769545368
Energy: 0.9546674364075645
Energy: -0.2688359970551338
Energy: 0.6832480775833822
Energy: -0.2700160484903954
Energy: 0.6832480775811538
Energy: -0.2699823523064151
Energy: 0.6832480775805968
Energy: -0.4269534530520036
Energy: 0.12533082460010603
Energy: -0.4223029403878676
Energy: 0.11056177306295269
Energy: -0.4219685636309681
Energy: 0.12575457950617452

minimum gb energy = -1.976567077534554 eV
minimum distance =  2.77020236755136 Angstroms
sigma value = 17


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

Energy: 1.0973705653686723
Energy: 0.9726332783872647
Energy: 1.0973705653686723
Energy: 0.9726332783872647
Energy: 1.0973705653686723
Energy: 0.9726332783872647
Energy: 0.8287811080351586
Energy: 0.947341483658514
Energy: 0.8287811080375221
Energy: 0.947341483658514
Energy: 0.8287811080296439
Energy: 0.947341483658514
Energy: 0.9978731282322162
Energy: 1.1387353918458436
Energy: 0.9978731282298527
Energy: 1.1387353918450558
Energy: 0.9978731282172477
Energy: 1.1387353918466314
Energy: 0.6853667414342886
Energy: 1.201556499141183
Energy: 0.6853667414350764
Energy: 1.2015563631293216
Energy: 0.685366741436652
Energy: 1.2015560304341821
Energy: 0.47755678935607637
Energy: 1.150403535814525
Energy: 0.44909049640599025
Energy: 1.1504035224251656
Energy: -1.196143433909466
Energy: 1.1504034956842626
Energy: 1.0817194555101204
Energy: 1.0140637596190043
Energy: 1.0817194555101204
Energy: 1.0140637596182163
Energy: 1.0817194555093326
Energy: 1.0140637596190043
Energy: 0.9898424495580942
Energy: 0.8693036558134364
Energy: 0.9898424495580942
Energy: 0.8693036558142242
Energy: 0.9898424495573064
Energy: 0.8693036558134364
Energy: 0.6850155096070734
Energy: 0.6887962222627577
Energy: 0.6850155096102247
Energy: 0.6897439730829756
Energy: 0.6850155096094367
Energy: 0.6892497806901631
Energy: 1.1388125771990492
Energy: 0.7795303969744621
Energy: 1.1388125771998368
Energy: 0.7795303969784012
Energy: 1.1388125771990492
Energy: 0.7795303969736743
Energy: 1.0093545678769695
Energy: 0.9020626802839804
Energy: 1.0093545678777573
Energy: 0.9020626802831928
Energy: 1.0093545678761817
Energy: 0.9020626802831928
Energy: 0.7849324393538895
Energy: 0.9158693777543797
Energy: 0.7849324393531015
Energy: 0.9158693777528041
Energy: 0.7849324393562529
Energy: 0.9158693777528041
Energy: 0.5871659776632787
Energy: 0.7793660260867143
Energy: 0.5882021932025084
Energy: 0.779366026084351
Energy: 0.5879365289251229
Energy: 0.779366026084351
Energy: 0.6850484247718043
Energy: 1.0137556359619266
Energy: 0.6850484247718043
Energy: 1.0137556359619266
Energy: 0.6850484247718043
Energy: 1.0137556359619266
Energy: 0.9732424524397127
Energy: 1.1213345179755017
Energy: 0.973242452438925
Energy: 1.1213345179762895
Energy: 0.9732424524373493
Energy: 1.1213345179770773
Energy: 1.068627184818511
Energy: 0.9464060016603845
Energy: 1.0686263739753505
Energy: 0.9464060016595967
Energy: 1.0686243561127862
Energy: 0.9464060016595967
Energy: 1.0707345335055538
Energy: 1.0153675639364987
Energy: 1.0707345262002064
Energy: 1.0153675639364987
Energy: 1.0707345160071762
Energy: 1.0153675639372868
Energy: 0.9717505039031568
Energy: 1.0000126993607616
Energy: 0.9717505039039447
Energy: 1.000012699359974
Energy: 0.9717505039039447
Energy: 1.000012699359186

minimum gb energy = -1.196143433909466 eV
minimum distance =  2.68510102006181 Angstroms
sigma value = 17


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

Energy: 1.0233633492683523
Energy: 0.8909359784848011
Energy: 1.0233633492653098
Energy: 0.8909359784848011
Energy: 1.0233633492683523
Energy: 0.8909359784817589
Energy: 0.8939398872716102
Energy: 0.8604423699569511
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Energy: 0.8604423699508665
Energy: 0.9072889097685655
Energy: 0.9553572218533566
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Energy: 0.7904648952186739
Energy: 1.036289260684115
Energy: 0.7904648952217164
Energy: 1.036289260684115
Energy: 0.7904648952186739
Energy: 1.0362892606901997
Energy: 0.8790995866079168
Energy: 0.8449384326181154
Energy: 0.87909958659879
Energy: 0.8449384326150732
Energy: 0.8790995866079168
Energy: 0.8449384326150732
Energy: 0.8875646185377445
Energy: 0.8843182065239924
Energy: 0.8875646185438291
Energy: 0.8843182065239924
Energy: 0.8875646185468713
Energy: 0.8843182065239924
Energy: 0.8595133084268058
Energy: 0.940147023197951
Energy: 0.8595133084237634
Energy: 0.9401470231949087
Energy: 0.8595133084237634
Energy: 0.940147023197951
Energy: 0.5907561967777906
Energy: 0.7368068297345612
Energy: 0.6129059395581337
Energy: 0.7374891827946791
Energy: 0.6975429788466895
Energy: 0.7402628941662257
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Energy: 0.9669331317216971
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Energy: 0.8587857055073708
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Energy: 0.7248918009497582
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Energy: 0.6689642171539143
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Energy: 0.9711147740243362
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Energy: 0.9711147740273783
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Energy: 0.9711147740243362
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Energy: 0.9273744134764317
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Energy: 0.9556680151120159
Energy: 0.9097019957142294
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Energy: 0.8788259624497516
Energy: 0.8895316513945923
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Energy: 1.0233633492713945
Energy: 0.8909359784817589
Energy: 1.0233633492683523
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Energy: 1.0233633492683523
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Energy: 0.8939398872716102
Energy: 0.8604423699569511
Energy: 0.8939398872746527
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Energy: 0.8258655108601538
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Energy: 0.8254466376864433
Energy: 0.9553572218533566
Energy: 0.7904648952217164
Energy: 1.0177149649326613
Energy: 0.7904648952186739
Energy: 1.0177149644826253
Energy: 0.7904648952217164
Energy: 1.0177149634061562
Energy: 0.8790995866018322
Energy: 0.8449384326150732
Energy: 0.8790995866079168
Energy: 0.8449384326150732
Energy: 0.8790995866048743
Energy: 0.8449384326150732

minimum gb energy = 0.4883304771389122 eV
minimum distance =  2.72094014960659 Angstroms
sigma value = 57


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

Energy: 0.8625098650561507
Energy: 0.808656796661426
Energy: 0.8625098650561507
Energy: 0.808656796661426
Energy: 0.8625098650561507
Energy: 0.808656796661426
Energy: 0.8065466155368461
Energy: 0.803854985731108
Energy: 0.8065466155517067
Energy: 0.803854985731108
Energy: 0.8065466155417996
Energy: 0.803854985731108
Energy: 0.8613247993182601
Energy: 0.8642994064915828
Energy: 0.8613247992191889
Energy: 0.8642994064915828
Energy: 0.8613247990607652
Energy: 0.8642994064915828
Energy: 0.7824237861231109
Energy: 0.9262775367794436
Energy: 0.7824237861032968
Energy: 0.9262775367794436
Energy: 0.7824237861280645
Energy: 0.9262775367794436
Energy: 0.8050723592999743
Energy: 0.7336462549651065
Energy: 0.8050723593049279
Energy: 0.7336462549651065
Energy: 0.8050723593049279
Energy: 0.7336462549601529
Energy: 0.8434156254090671
Energy: 0.799741143610037
Energy: 0.8434156254090671
Energy: 0.799741143610037
Energy: 0.8434156254041135
Energy: 0.7997411436149906
Energy: 0.816966250798031
Energy: 0.9147522689177439
Energy: 0.816966250798031
Energy: 0.9147522689177439
Energy: 0.816966250798031
Energy: 0.9147522689177439
Energy: 0.6684447056815791
Energy: 0.9428339749141559
Energy: 0.6604185586202915
Energy: 0.9428339605651397
Energy: 0.659865541071477
Energy: 0.942833934624978
Energy: 0.8597389109924196
Energy: 0.802734609993663
Energy: 0.8597389109924196
Energy: 0.802734609993663
Energy: 0.8597389109924196
Energy: 0.802734609993663
Energy: 0.8162365844796841
Energy: 0.8787342145990417
Energy: 0.8162365844747305
Energy: 0.8787342145940881
Energy: 0.8162365844747305
Energy: 0.8787342145990417
Energy: 0.7371626938107486
Energy: 0.9387206305950316
Energy: 0.7371626938107486
Energy: 0.9387206285798342
Energy: 0.7371626938107486
Energy: 0.9387206252278065
Energy: 0.8839773046191147
Energy: 0.7427138454498105
Energy: 0.8839773046191147
Energy: 0.7427138454498105
Energy: 0.8839773046191147
Energy: 0.7427138454547639
Energy: 0.8183115223658491
Energy: 0.8644741890730241
Energy: 0.8183115223608957
Energy: 0.8644741890730241
Energy: 0.8183115223608957
Energy: 0.8644741890730241
Energy: 0.7650949543775093
Energy: 0.8641122727015859
Energy: 0.7650949543725557
Energy: 0.8641122727015859
Energy: 0.7650949543775093
Energy: 0.8641122727064493
Energy: 0.9421617411193058
Energy: 0.8357325939419842
Energy: 0.9421617411242593
Energy: 0.8357325939320771
Energy: 0.9421617411193058
Energy: 0.8357325939320771
Energy: 0.8273809748709006
Energy: 0.8148915668213363
Energy: 0.8273809748659471
Energy: 0.8148915668163831
Energy: 0.8273809748709006
Energy: 0.8148915668213363
Energy: 0.8543275986216161
Energy: 0.9275879034957538
Energy: 0.8543275986265697
Energy: 0.9275879034957538
Energy: 0.8543275986216161
Energy: 0.9275879034957538
Energy: 0.8023200583481862
Energy: 0.8175319558676675
Energy: 0.8023200583432327
Energy: 0.8175319558775747
Energy: 0.8023200583432327
Energy: 0.8175319558676675
Energy: 0.785035507781117
Energy: 0.8771430651225953
Energy: 0.785035507781117
Energy: 0.877143065048292
Energy: 0.7850355077860706
Energy: 0.8771430651424096
Energy: 0.7892772267256704
Energy: 0.91982416892361
Energy: 0.7892772267256704
Energy: 0.91982416892361
Energy: 0.7892772267256704
Energy: 0.91982416892361
Energy: 0.667297087276786
Energy: 0.864485628654723
Energy: 0.6702109641154363
Energy: 0.864485628654723
Energy: 0.671399106256586
Energy: 0.8644856286596766
Energy: 0.7497347128903425
Energy: 0.8647723569120973
Energy: 0.7497347128655746
Energy: 0.8647723569120973
Energy: 0.7497347128606211
Energy: 0.8647723569120973
Energy: 0.840355251075572
Energy: 0.8891526242272444
Energy: 0.840355251075572
Energy: 0.8891526242272444
Energy: 0.8403552510805254
Energy: 0.8891526242272444
Energy: 0.869416542652234
Energy: 0.8855008958712514
Energy: 0.8694165401765358
Energy: 0.8855008958662979
Energy: 0.869416537195845
Energy: 0.8855008958662979
Energy: 0.8673860988582468
Energy: 0.8402655613732102
Energy: 0.8673834649087604
Energy: 0.8402655613732102
Energy: 0.8673807402602595
Energy: 0.8402655613732102
Energy: 0.8125016900618193
Energy: 0.8876029504848781
Energy: 0.8125016900618193
Energy: 0.8876029504848781
Energy: 0.8125016900618193
Energy: 0.8876029504848781
Energy: 0.764480856630983
Energy: 0.8833376806723144
Energy: 0.764480856630983
Energy: 0.8833376806723144
Energy: 0.764480856630983
Energy: 0.8833376806723144

minimum gb energy = 0.659865541071477 eV
minimum distance =  2.69437480707197 Angstroms
sigma value = 43


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

Energy: 0.7612179789575179
Energy: 0.7016565189657834
Energy: 0.7612179790491256
Energy: 0.7016565189650615
Energy: 0.7612179770443881
Energy: 0.7016565189653897
Energy: 0.7945059099717279
Energy: 0.7824869554658702
Energy: 0.7945059099699562
Energy: 0.7824869554633767
Energy: 0.7945059099724496
Energy: 0.7824869554637048
Energy: 0.7690668396480991
Energy: 0.7800807533171015
Energy: 0.7690668396473772
Energy: 0.7800807533178233
Energy: 0.7690668396448835
Energy: 0.7800807533171015
Energy: 0.7098659193493195
Energy: 0.7631129580850902
Energy: 0.5796308500185106
Energy: 0.7631129580865338
Energy: 0.5805991264693608
Energy: 0.7631129580850902
Energy: 0.7931793522241581
Energy: 0.724756581493577
Energy: 0.7931793522252083
Energy: 0.7247565815065702
Energy: 0.7931793522219929
Energy: 0.7247565815011892
Energy: 0.697859322398266
Energy: 0.6950680651215981
Energy: 0.697859322398594
Energy: 0.6950680651215981
Energy: 0.6978593223997097
Energy: 0.6950680651215981
Energy: 0.9061749134994259
Energy: 0.7562936325039594
Energy: 0.9061749134983759
Energy: 0.7562936325032374
Energy: 0.9061749134979822
Energy: 0.7562936325039594
Energy: 0.8730139847788846
Energy: 0.624939663073417
Energy: 0.8730139847857749
Energy: 0.6249396630773543
Energy: 0.873013984789384
Energy: 0.6249396630791917
Energy: 0.6781784988335309
Energy: 0.6821783543846797
Energy: 0.6781784988306434
Energy: 0.6821783543817922
Energy: 0.6781784988331371
Energy: 0.6821783543800203
Energy: 0.8048181675046601
Energy: 0.7212026595237585
Energy: 0.8048181675039382
Energy: 0.7212026595233647
Energy: 0.8048181675046601
Energy: 0.7212026595230366
Energy: 0.8922700326382104
Energy: 0.6512294194161813
Energy: 0.8922700326367667
Energy: 0.6512291635647075
Energy: 0.8922700326367667
Energy: 0.6512279954934853
Energy: 0.6887187095140171
Energy: 0.6851459425971759
Energy: 0.6887187095144107
Energy: 0.6851459425993415
Energy: 0.6887187095151326
Energy: 0.6851459426000633
Energy: 0.8040442015661484
Energy: 0.6871879406860713
Energy: 0.8040442015650984
Energy: 0.6871879406842996
Energy: 0.8040442015647046
Energy: 0.6871879406864649
Energy: 0.8802751307638639
Energy: 0.8713298516668027
Energy: 0.8802751307649794
Energy: 0.8713298516656871
Energy: 0.8802751307653075
Energy: 0.8713298516660809
Energy: 0.7103089520892538
Energy: 0.6865917394252287
Energy: 0.7103089520885321
Energy: 0.6865917394241131
Energy: 0.7103089520881383
Energy: 0.6865917394266724
Energy: 0.7285125050952171
Energy: 0.6977521137634285
Energy: 0.7285125050963328
Energy: 0.6977521137631004
Energy: 0.7285125050948891
Energy: 0.6977521137631004
Energy: 0.6592305967032043
Energy: 0.8622633725232091
Energy: 0.6592305966981514
Energy: 0.8622633725250466
Energy: 0.659230596700645
Energy: 0.8622633725246529
Energy: 0.7309006777956474
Energy: 0.6546400979591718
Energy: 0.7309006777956474
Energy: 0.6546400979558906
Energy: 0.7309006777949254
Energy: 0.6546400979609435
Energy: 0.7280480269542192
Energy: 0.7267549876874624
Energy: 0.7280480269545473
Energy: 0.7267549876892342
Energy: 0.7280480269542192
Energy: 0.7267549876899562
Energy: 0.7748224107085627
Energy: 0.778453961993434
Energy: 0.7748224107107283
Energy: 0.778453961993762
Energy: 0.7748224107107283
Energy: 0.778453961993434
Energy: 0.7864137231265899
Energy: 0.7043580332598879
Energy: 0.7864137231254744
Energy: 0.7043580332617253
Energy: 0.7864137231265899
Energy: 0.7043580332440075
Energy: 0.7907906803443191
Energy: 0.7910253011202183
Energy: 0.7907906803425472
Energy: 0.7910253011205465
Energy: 0.7907906803421535
Energy: 0.7910253011202183
Energy: 0.7964060760559201
Energy: 0.7832110737032338
Energy: 0.7964060760566418
Energy: 0.7832110737032338
Energy: 0.7964060760548044
Energy: 0.7832110737032338
Energy: 0.8231817305420034
Energy: 0.719895040793101
Energy: 0.8231817305416097
Energy: 0.7198950407728896
Energy: 0.8231817305427251
Energy: 0.7198950405845559
Energy: 0.7291676797576998
Energy: 0.7691004897356223
Energy: 0.7291676797580279
Energy: 0.7691004897352941
Energy: 0.7291676797584216
Energy: 0.7691004897363442
Energy: 0.7325717639362105
Energy: 0.7584926546363604
Energy: 0.7325717639369324
Energy: 0.7584926546370822
Energy: 0.7325717639362105
Energy: 0.7584926546374102
Energy: 0.7630671336046251
Energy: 0.675631309071503
Energy: 0.745872513977837
Energy: 0.6756313090725531
Energy: 0.745872513977837
Energy: 0.6756313090718312
Energy: 0.6885632368889268
Energy: 0.7654704266535302
Energy: 0.6885632368885988
Energy: 0.7654704266542519
Energy: 0.6885632368893204
Energy: 0.7654704266553677
Energy: 0.676189916740372
Energy: 0.7197770041407076
Energy: 0.676189916740372
Energy: 0.7197770041399857
Energy: 0.6761899167399782
Energy: 0.7197770041403795
Energy: 0.7075636834244106
Energy: 0.6884268865267377
Energy: 0.7075636834247387
Energy: 0.6883820610487066
Energy: 0.7075636834254607
Energy: 0.6879172267466572
Energy: 0.7056184537152679
Energy: 0.724986642578841
Energy: 0.7056184537171052
Energy: 0.7249866419774854
Energy: 0.6886379630334133
Energy: 0.7249866406451718
Energy: 0.6759039858717851
Energy: 0.6983054801785308
Energy: 0.6759039858688979
Energy: 0.698305480177087
Energy: 0.675903985872507
Energy: 0.6983054801774151
Energy: 0.686085728195903
Energy: 0.7668830388062762
Energy: 0.6860857281962968
Energy: 0.7668830388066042
Energy: 0.6860857281948529
Energy: 0.7668830388077198
Energy: 0.8844924325977694
Energy: 0.8361331681080736
Energy: 0.8844924325967195
Energy: 0.8361331679371294
Energy: 0.8844924325977694
Energy: 0.8361331674460836
Energy: 0.7044655447742537
Energy: 0.6885513265124816
Energy: 0.7044655447742537
Energy: 0.6885513265132036
Energy: 0.7044655447771411
Energy: 0.6885513265132036
Energy: 0.6032942031894791
Energy: 0.7705365701843452
Energy: 0.6032942031934164
Energy: 0.770536570184017
Energy: 0.6032942031913165
Energy: 0.7705365701829014

minimum gb energy = 0.5796308500185106 eV
minimum distance =  2.66181197088108 Angstroms
sigma value = 81


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

Energy: -0.04437409665956814
Energy: -0.008014403615704059
Energy: -0.04437409665956814
Energy: -0.008014403615704059
Energy: -0.04437409665956814
Energy: -0.008014403615704059
Energy: 1.0487616123571522
Energy: -0.0069367524955954605
Energy: 1.0487616123584782
Energy: -0.0069367525101825455
Energy: 1.0487616123571522
Energy: -0.0069367524955954605
Energy: 1.0487604646591218
Energy: -0.006942391829912112
Energy: 1.0487604646591218
Energy: -0.006942391833890406
Energy: 1.0487604646577955
Energy: -0.00694239183123821
Energy: -0.04437409665956814
Energy: -0.008014403615704059
Energy: -0.04437409665956814
Energy: -0.008014403615704059
Energy: -0.04437409665956814
Energy: -0.008014403615704059
Energy: 1.0487616123544998
Energy: -0.006936751008375779
Energy: 1.0487616123558259
Energy: -0.006936751003071384
Energy: 1.0487616123558259
Energy: -0.006936750992462594
Energy: 1.0487604646577955
Energy: -0.0069423925867527995
Energy: 1.0487604646577955
Energy: -0.006942392584100602
Energy: 1.0487604646577955
Energy: -0.0069423925827745035
Energy: -0.04437409665956814
Energy: -0.008014403615704059
Energy: -0.04437409665956814
Energy: -0.008014403615704059
Energy: -0.04437409665956814
Energy: -0.008014403615704059
Energy: 1.0487616123558259
Energy: -0.006936749518503901
Energy: 1.0487616123558259
Energy: -0.006936749514525604
Energy: 1.0487616123544998
Energy: -0.006936749521156098
Energy: 1.0487604646591218
Energy: -0.00694239332906668
Energy: 1.0487604646604478
Energy: -0.00694239332906668
Energy: 1.0487604646591218
Energy: -0.006942393327740581
Energy: -0.04437409665956814
Energy: -0.008014403615704059
Energy: -0.04437409665956814
Energy: -0.008014403615704059
Energy: -0.04437409665956814
Energy: -0.008014403615704059

minimum gb energy = -0.04437409665956814 eV
minimum distance =  2.92409742858655 Angstroms
sigma value = 3


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

Energy: 0.4856681876814614
Energy: 0.48355671231884845
Energy: 0.4856681876798741
Energy: 0.48355671231845165
Energy: 0.4856681876806677
Energy: 0.48355671231884845
Energy: 0.30136113853092616
Energy: 0.3684422935258328
Energy: 0.3013611385737487
Energy: 0.368442293525436
Energy: 0.3013611386618108
Energy: 0.3684422935258328
Energy: 0.455934054016803
Energy: 0.3683782002620948
Energy: 0.45593405401243775
Energy: 0.36837820026169793
Energy: 0.45593405401402515
Energy: 0.36837820026169793
Energy: 0.4769960067210997
Energy: 0.39320344573611693
Energy: 0.4769960067210997
Energy: 0.3932034288148767
Energy: 0.47699600672149656
Energy: 0.39320337759500784
Energy: 0.39380183372404615
Energy: 0.3692079867358239
Energy: 0.39380183372325245
Energy: 0.3692079867366176
Energy: 0.39380183372404615
Energy: 0.3692079867362207
Energy: 0.4506141717300171
Energy: 0.3968728225041884
Energy: 0.45061417172287405
Energy: 0.39687282250498207
Energy: 0.45061417173438234
Energy: 0.3968728225053789
Energy: 0.41492277113014153
Energy: 0.5928298501329623
Energy: 0.41492277113014153
Energy: 0.5928298501333591
Energy: 0.41492277113053827
Energy: 0.5928298501329623
Energy: 0.42904726779846697
Energy: 0.37734231279248404
Energy: 0.4290472677992606
Energy: 0.37734231279288094
Energy: 0.4290472677988637
Energy: 0.3773423127944683
Energy: 0.4643871764485999
Energy: 0.41111669080430874
Energy: 0.4643871764493936
Energy: 0.41111669080391183
Energy: 0.4643871764493936
Energy: 0.411116690803515
Energy: 0.41556880203283025
Energy: 0.37242169107807316
Energy: 0.415568802033191
Energy: 0.3724216794756626
Energy: 0.41556880203283025
Energy: 0.37242164787081156
Energy: 0.4706100879689319
Energy: 0.37648805849291317
Energy: 0.47061008796536036
Energy: 0.37648805849370687
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Energy: 0.48117261750729057
Energy: 0.475802568227938
Energy: 0.48117262068928796
Energy: 0.47580214405562343
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Energy: 0.37786110967391096
Energy: 0.3334891418339991
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Energy: 0.3718880902363522
Energy: 0.5776496999788937
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Energy: 0.5776496999796874
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Energy: 0.41541189077944934
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Energy: 0.4002398790182167
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Energy: 0.3778675455644143
Energy: 0.30704034466213687
Energy: 0.377867545565208
Energy: 0.3070403446526127
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Energy: 0.30704034466174
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Energy: 0.45189496135297
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Energy: 0.45189496135297
Energy: 0.4259052224663625
Energy: 0.45189496135257323
Energy: 0.37026036332445833
Energy: 0.20375028112478033
Energy: 0.3702603633256489
Energy: 0.20375028112358984
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Energy: 0.20375028112319296
Energy: 0.3710857401948992
Energy: 0.3990751990831947
Energy: 0.3710857401948992
Energy: 0.3990751990855758
Energy: 0.371085740195296
Energy: 0.3990751990788295
Energy: 0.4484512371023951
Energy: 0.45136965821824704
Energy: 0.3817408216888067
Energy: 0.45136965821824704
Energy: 0.38200851301525185
Energy: 0.45136965821824704
Energy: 0.3485710290973204
Energy: 0.20156760094399787
Energy: 0.3485456904365546
Energy: 0.2015676009432042
Energy: 0.34844697726262164
Energy: 0.20156760092812434
Energy: 0.35358287743513983
Energy: 0.43076768405123134
Energy: 0.35358287743553657
Energy: 0.4307676840544061
Energy: 0.35358287743553657
Energy: 0.43076768404567556
Energy: 0.462528550057845
Energy: 0.3756464346278098
Energy: 0.46252855005665444
Energy: 0.3756464346278098
Energy: 0.462528550057845
Energy: 0.375646434627413
Energy: 0.4316165596769981
Energy: 0.2876397279075378
Energy: 0.4316164700645677
Energy: 0.2876397279111093
Energy: 0.43161632776226966
Energy: 0.28763972790991876
Energy: 0.4151798704123027
Energy: 0.47211673236492285
Energy: 0.4151798704119058
Energy: 0.47211673236373236
Energy: 0.4151798704119058
Energy: 0.47211673236373236
Energy: 0.5254878020097932
Energy: 0.37564290443336307
Energy: 0.5254878020097932
Energy: 0.37564290443336307
Energy: 0.5254878020082059
Energy: 0.3756429044329662
Energy: 0.5783963733089829
Energy: 0.5769937589205534
Energy: 0.5783963733089829
Energy: 0.5769937589181724
Energy: 0.5783963733105703
Energy: 0.576993758889636
Energy: 0.4462071222252712
Energy: 0.4703917757691184
Energy: 0.4462071222248743
Energy: 0.47039177576832475
Energy: 0.4462071222248743
Energy: 0.47039177576872154
Energy: 0.4754238175441051
Energy: 0.3962030559211758
Energy: 0.4754238175445019
Energy: 0.3962030559215726
Energy: 0.4754238175452956
Energy: 0.3962030559211758
Energy: 0.354344129186947
Energy: 0.4519256507508137
Energy: 0.3543441291853596
Energy: 0.4519256507476391
Energy: 0.3543441291865501
Energy: 0.45192565073295604

minimum gb energy = 0.20156760092812434 eV
minimum distance =  2.73280187456502 Angstroms
sigma value = 67


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

Energy: 0.4761926789190361
Energy: 0.5746050615567768
Energy: 0.47619267893034517
Energy: 0.5746050615573423
Energy: 0.4761926789190361
Energy: 0.5746050615573423
Energy: 0.563281154661746
Energy: 0.06836436282526517
Energy: 0.5632811546577878
Energy: 0.06836436282413429
Energy: 0.5632811546589187
Energy: 0.06836436282526517
Energy: 0.6623504667998716
Energy: 0.06342800681761385
Energy: 0.6623504667993062
Energy: 0.06342800681874476
Energy: 0.6623504668004371
Energy: 0.06342800681874476
Energy: 0.48006424133004194
Energy: 0.6899706810695447
Energy: 0.4800642413317383
Energy: 0.6899706810689793
Energy: 0.48006424132778014
Energy: 0.6899706810689793
Energy: 0.6238178337517559
Energy: 0.3567515958344737
Energy: 0.6238178337511905
Energy: 0.35675159583617
Energy: 0.6238178337511905
Energy: 0.35675159583560456
Energy: 0.6569203891898294
Energy: 0.5751059460256724
Energy: 0.6569203891909604
Energy: 0.5751059460256724
Energy: 0.6569203891909604
Energy: 0.5751059460245416
Energy: 0.40707738258629683
Energy: 0.7702503230997606
Energy: 0.40707738258629683
Energy: 0.7702503231003259
Energy: 0.4070773825846005
Energy: 0.7702503230997606
Energy: 0.7534859384950381
Energy: 0.3684462627582374
Energy: 0.7534859384944728
Energy: 0.36844626275936826
Energy: 0.7534859384967345
Energy: 0.36844626275993375
Energy: 0.6760879812870741
Energy: -3.1616283943059673
Energy: 0.6760879812870741
Energy: -3.069750526065251
Energy: 0.6760879812853778
Energy: -3.058214829620585
Energy: 0.5790478458056172
Energy: 0.7271667271744364
Energy: 0.5790478458061826
Energy: 0.727166727175002
Energy: 0.5790478458061826
Energy: 0.7271667271738712
Energy: 0.6168761010882406
Energy: 0.5774086144504341
Energy: 0.6168761010396119
Energy: 0.5774086144498687
Energy: 0.6168761008903844
Energy: 0.5774086144504341
Energy: 0.5773107065209663
Energy: 0.5815957951841821
Energy: 0.5773107065085777
Energy: 0.581595695975296
Energy: 0.5773107065198354
Energy: 0.5815953524081584
Energy: 0.5802531566630321
Energy: 0.5918625859932227
Energy: 0.5802531566635976
Energy: 0.5918625859903957
Energy: 0.5802531566630321
Energy: 0.5918625859915264
Energy: 0.6337721064230412
Energy: 0.08772805891943593
Energy: 0.6337721064236066
Energy: 0.08772805897253685
Energy: 0.6337721064247376
Energy: 0.08772805890473422
Energy: 0.5027996324581159
Energy: 0.5317173355096628
Energy: 0.5027996324586814
Energy: 0.5317173355113591
Energy: 0.5027996324592469
Energy: 0.5317173355102283
Energy: 0.07275362183962555
Energy: 0.5993390601905765
Energy: 0.07275362184132192
Energy: 0.5993390601905765
Energy: 0.07275362183962555
Energy: 0.5993390601905765
Energy: 0.6758418633028287
Energy: 0.07949423227528958
Energy: 0.675841863169434
Energy: 0.07949423227415868
Energy: 0.6758418628614177
Energy: 0.07949423227415868
Energy: 0.46843681898297984
Energy: 0.5903161861684962
Energy: 0.4684368189716709
Energy: 0.5903161861684962
Energy: 0.46843681898580714
Energy: 0.5903161861684962
Energy: 0.4070139613292326
Energy: 0.6394773714516756
Energy: 0.40701396132697076
Energy: 0.6394773714516756
Energy: 0.4070139613264054
Energy: 0.6394773714528065
Energy: 1.0727380835002136
Energy: 0.066684140921287
Energy: 1.072738083498517
Energy: 0.06668414091959064
Energy: 1.0727380834996478
Energy: 0.066684140921287
Energy: -3.268463601917128
Energy: 0.5999094378068797
Energy: -3.2630780470489182
Energy: 0.5999094378085759
Energy: -3.236415075461033
Energy: 0.5999094378068797
Energy: 0.5202484428046039
Energy: 0.666428438854364
Energy: 0.5202484428063002
Energy: 0.6664284388260915
Energy: 0.5202484428034729
Energy: 0.6664284387073983
Energy: 0.7026634042363806
Energy: 0.5521293426173906
Energy: 0.7026634042369461
Energy: 0.5521293426173906
Energy: 0.7026634042363806
Energy: 0.5521293426168251

minimum gb energy = -3.268463601917128 eV
minimum distance =  2.74654342236386 Angstroms
sigma value = 33


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

Energy: 0.6057543224700257
Energy: 0.7819268765925189
Energy: 0.6057543224918746
Energy: 0.7819268765921276
Energy: 0.6057543224901135
Energy: 0.7819268765921276
Energy: 0.6840462854743693
Energy: 0.6079911706632151
Energy: 0.6840462854750868
Energy: 0.6079911706632151
Energy: 0.6840462854761956
Energy: 0.6079911706632151
Energy: 0.6585031721907086
Energy: 0.6042168358901091
Energy: 0.6585031721932522
Energy: 0.6042168358904352
Energy: 0.6585031721903826
Energy: 0.6042168358901091
Energy: 0.5928167116179762
Energy: 0.8271061142464217
Energy: 0.5928167116183023
Energy: 0.8271061142442695
Energy: 0.5928167116172589
Energy: 0.8271061142449868
Energy: 0.784455674354076
Energy: 0.6143545891684535
Energy: 0.784455674354076
Energy: 0.6143545891666926
Energy: 0.7844556743537499
Energy: 0.6143545891666926
Energy: 0.88648447138728
Energy: 0.7896455444802354
Energy: 0.8864844713826494
Energy: 0.7896455340836203
Energy: 0.886484471378345
Energy: 0.7896455033267062
Energy: 0.5711421150214998
Energy: 0.828977461791896
Energy: 0.5711421150203911
Energy: 0.8289774617907872
Energy: 0.5711421150211085
Energy: 0.8289774617907872
Energy: 0.9163672415276296
Energy: 0.7499361349033324
Energy: 0.9163672415276296
Energy: 0.7499361349033324
Energy: 0.9163672415261949
Energy: 0.7499361349033324
Energy: 0.7364019445448751
Energy: 0.7610261053403748
Energy: 0.7364019445441576
Energy: 0.7610261053396574
Energy: 0.7364019445448751
Energy: 0.7610261053403748
Energy: 0.08861654492429802
Energy: 0.8909840732452745
Energy: 0.08861654492214577
Energy: 0.8333298496247962
Energy: 0.08861654492175446
Energy: 0.8333298496255136
Energy: 0.7947019293179451
Energy: 0.6142603158215817
Energy: 0.7947019293190539
Energy: 0.6142603158205382
Energy: 0.7947019293190539
Energy: 0.6142603158198207
Energy: 0.69109735564159
Energy: 0.7303405580416775
Energy: 0.6910973556423076
Energy: 0.7303405580423948
Energy: 0.6910973556426336
Energy: 0.7303405580427862
Energy: 0.1014991387837644
Energy: 0.6788016719434992
Energy: 0.1014991387837644
Energy: 0.6788016719434992
Energy: 0.10149913878559058
Energy: 0.6788016719438905
Energy: 0.7082480745390114
Energy: 0.6088847699788745
Energy: 0.7082480745379026
Energy: 0.6088847699788745
Energy: 0.7082480745371852
Energy: 0.6088847699792006
Energy: 0.6539650457983108
Energy: 0.7146408842524137
Energy: 0.6539650458000719
Energy: 0.7146408842535225
Energy: 0.653965045798637
Energy: 0.714640884252805
Energy: 0.5958439917110636
Energy: 0.7281333614356158
Energy: 0.5958439917074765
Energy: 0.7281333614338549
Energy: 0.5958439917092376
Energy: 0.7281333614309853
Energy: 0.7860519016491373
Energy: 0.6022129069994411
Energy: 0.7860519016491373
Energy: 0.6022129069980061
Energy: 0.7860519016480939
Energy: 0.6022129069972887
Energy: 0.6959156413745058
Energy: 0.742924297859045
Energy: 0.6959156413673315
Energy: 0.7429240798159215
Energy: 0.6959156413694838
Energy: 0.7429236450225988
Energy: 0.6525517830679934
Energy: 0.8567204191417406
Energy: 0.6525517830669498
Energy: 0.8567204191395882
Energy: 0.652551783065841
Energy: 0.8567204191395882
Energy: 0.8179509210003072
Energy: 0.6090483717661834
Energy: 0.8179509210021333
Energy: 0.6090483717665095
Energy: 0.8179509209992636
Energy: 0.6090483717672268
Energy: 0.5698384557770557
Energy: 0.729956821300976
Energy: 0.5698384557773818
Energy: 0.7299568212999326
Energy: 0.5698384557784905
Energy: 0.729956821305998
Energy: 0.6550145022773695
Energy: 0.7673359401272735
Energy: 0.6550145022694778
Energy: 0.7673359401268821
Energy: 0.6550145022701952
Energy: 0.7673359401275995
Energy: 0.8381571832752179
Energy: 0.6135904080115858
Energy: 0.8381571716555943
Energy: 0.6135904080108684
Energy: 0.8381571371808704
Energy: 0.6135904080094334
Energy: 0.08694712482281261
Energy: 0.7391872289929027
Energy: 0.08694712482170384
Energy: 0.7391872289932289
Energy: 0.08694712482242128
Energy: 0.7391872289932289
Energy: 0.6956664637316758
Energy: 0.7123773298726687
Energy: 0.6956664637327193
Energy: 0.7123773298719511
Energy: 0.6956664637323932
Energy: 0.7123773298733861
Energy: 0.9156002612285495
Energy: 0.7060419382267326
Energy: 0.9156002612256797
Energy: 0.706041938226015
Energy: 0.9156002612267233
Energy: 0.7060419382234716
Energy: 0.5704134681929313
Energy: 0.75237849383983
Energy: 0.5704134681936488
Energy: 0.7523784938409387
Energy: 0.5704134681943662
Energy: 0.7523784938402213
Energy: 0.5922199961450804
Energy: 0.9204847591569272
Energy: 0.5922199961439715
Energy: 0.9204847591529486
Energy: 0.5922199961450804
Energy: 0.9204847591554922
Energy: 0.8282432181342904
Energy: 0.6135916220992655
Energy: 0.8282432181367687
Energy: 0.613591622100309
Energy: 0.8282432181378775
Energy: 0.6135916221010264
Energy: 0.6502749893467222
Energy: 0.8125976857154252
Energy: 0.650274989346396
Energy: 0.8125976857132731
Energy: 0.6502749893449613
Energy: 0.8125976857111208
Energy: 0.8880908333104688
Energy: 0.7408733644095916
Energy: 0.8880908333094252
Energy: 0.7408723806891672
Energy: 0.8880908333047294
Energy: 0.7408695641779786
Energy: 0.770365153177159
Energy: 0.6083265850078308
Energy: 0.7703651531782026
Energy: 0.6083265850092657
Energy: 0.7703651531774851
Energy: 0.6083265850085482
Energy: 0.6571642277585827
Energy: 0.7249224730867047
Energy: 0.6571642277596913
Energy: 0.7249224730841611
Energy: 0.6571642277604087
Energy: 0.7249224730816827
Energy: 0.653531111061812
Energy: 0.6066766022778374
Energy: 0.6535311110628557
Energy: 0.6066766022781636
Energy: 0.6535311110639643
Energy: 0.6066766022778374
Energy: 0.7415374810937607
Energy: 0.6036676290770238
Energy: 0.7415374810944781
Energy: 0.6036676290773498
Energy: 0.7415374810937607
Energy: 0.6036676290770238
Energy: 0.10451502359913381
Energy: 0.674101941488644
Energy: 0.10451502360376445
Energy: 0.6741019414883179
Energy: 0.10451502359945992
Energy: 0.674101941488644
Energy: 0.6924046433932286
Energy: 0.6656832513055492
Energy: 0.6924046433925112
Energy: 0.6656832513055492
Energy: 0.6924046433936198
Energy: 0.6656832513062666

minimum gb energy = 0.08694712482170384 eV
minimum distance =  2.74203269648053 Angstroms
sigma value = 41


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

Energy: 0.9542772727453639
Energy: 0.9807497552698591
Energy: 0.9542772727463433
Energy: 0.9807497552698591
Energy: 0.9542772727463433
Energy: 0.9807497552698591
Energy: 1.0214611467390988
Energy: 0.9797963614095206
Energy: 1.0214611467390988
Energy: 0.9797963614095206
Energy: 1.0214611467390988
Energy: 0.9797963614095206
Energy: 1.345884242239268
Energy: 0.9784900591497409
Energy: 1.1936773383790578
Energy: 0.9784900591507203
Energy: 1.1936773383790578
Energy: 0.9784900591507203
Energy: 0.9482134375130991
Energy: 1.1044631038692252
Energy: 0.9482134375130991
Energy: 1.1044631038702044
Energy: 0.9482134375130991
Energy: 1.1044631038702044
Energy: 1.0794352992539473
Energy: 0.9869240868590171
Energy: 1.0794352992539473
Energy: 0.9869240868590171
Energy: 1.0794352992539473
Energy: 0.9869240868580379
Energy: 1.1083262610906799
Energy: 1.0951162301273123
Energy: 1.1083262610906799
Energy: 1.0951162301273123
Energy: 1.108326261088721
Energy: 1.0951162301282915
Energy: 0.9476543297882772
Energy: 1.0456373498226077
Energy: 0.9476543297882772
Energy: 1.0456373498226077
Energy: 0.9476543297902361
Energy: 1.0456373498235871
Energy: 0.991604495159363
Energy: 0.9810826312990795
Energy: 0.9916044951603422
Energy: 0.9810826312990795
Energy: 0.991604495159363
Energy: 0.9810826312990795
Energy: 1.0295008835531625
Energy: 1.0196861387585465
Energy: 1.0295008835531625
Energy: 1.019686138757567
Energy: 1.0295008835531625
Energy: 1.0196861387585465
Energy: 0.9484618143211818
Energy: 1.0813152735076728
Energy: 0.9484618143211818
Energy: 1.0813152735076728
Energy: 0.9484618143211818
Energy: 1.0813152735076728
Energy: 1.020469678858796
Energy: 0.9790022910286058
Energy: 1.0204696788597754
Energy: 0.9790022910286058
Energy: 1.0204696788597754
Energy: 0.9790022910295852
Energy: 1.0224267939213376
Energy: 0.9789510669901959
Energy: 1.0224267939213376
Energy: 0.9789510669892165
Energy: 1.0224267939213376
Energy: 0.9789510669901959
Energy: 0.9805079192653784
Energy: 1.0997405217598644
Energy: 0.9805079192653784
Energy: 1.0997405217608438
Energy: 0.9805079192653784
Energy: 1.0997405217579055
Energy: 1.07829178143311
Energy: 0.9806824574720525
Energy: 1.07829178143311
Energy: 0.980682457473032
Energy: 1.0782917814340895
Energy: 0.9806824574700936

minimum gb energy = 0.9476543297882772 eV
minimum distance =  2.72582787987273 Angstroms
sigma value = 11


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

Energy: 1.152064126108455
Energy: 1.2344013145436732
Energy: 1.1520641261080249
Energy: 1.2344013145436732
Energy: 1.1520641261075946
Energy: 1.2344013145441035
Energy: 1.212261732834075
Energy: 1.1758646263591688
Energy: 1.2122617328357959
Energy: 1.1758646263591688
Energy: 1.2122617328349354
Energy: 1.1758646263587385
Energy: 1.3527163346672009
Energy: 1.1989427425395256
Energy: 1.3527163346672009
Energy: 1.1989427425395256
Energy: 1.3527163346672009
Energy: 1.1989427425399561
Energy: 1.180571197049538
Energy: 1.2760087860046625
Energy: 1.180571197049538
Energy: 1.2760087859921854
Energy: 1.180571197049538
Energy: 1.2760087859810383
Energy: 1.331531161724745
Energy: 1.2264511460652394
Energy: 1.3315311617238845
Energy: 1.2264511460652394
Energy: 1.331531161724745
Energy: 1.2264511460652394
Energy: 1.1884726199448532
Energy: 1.25743621805005
Energy: 1.188472619942702
Energy: 1.2574362180487593
Energy: 1.188472619940981
Energy: 1.2574362180474683
Energy: 1.2165437425862249
Energy: 1.343502677919301
Energy: 1.2165437425862249
Energy: 1.3435026779201615
Energy: 1.2165437425862249
Energy: 1.3435026779167194
Energy: 1.3046518612808782
Energy: 1.1680968745261282
Energy: 1.3046518612808782
Energy: 1.168096874525698
Energy: 1.304651861280448
Energy: 1.168096874525698
Energy: 1.292529223047105
Energy: 1.1698909106999096
Energy: 1.2925292230415117
Energy: 1.1698909106994793
Energy: 1.2925292230419418
Energy: 1.1698909106999096
Energy: 1.2084134717872657
Energy: 1.287497424355727
Energy: 1.2084134717898471
Energy: 1.2874974020605228
Energy: 1.208413471787696
Energy: 1.2874973156660399
Energy: 1.300952514551152
Energy: 1.2671019946878914
Energy: 1.300952514551152
Energy: 1.2671019946883215
Energy: 1.3009525145507217
Energy: 1.2671019946887518
Energy: 1.2909987369887137
Energy: 1.2497393400287642
Energy: 1.2909987369882836
Energy: 1.2497393400343575
Energy: 1.290998736989144
Energy: 1.2497393400369388
Energy: 1.24749797704005
Energy: 1.2374941850302388
Energy: 1.24749797704005
Energy: 1.2374941850203431
Energy: 1.2474979770396195
Energy: 1.2374941849627297
Energy: 1.3550694901669742
Energy: 1.1590178916779377
Energy: 1.3550694901661136
Energy: 1.1590178916757863
Energy: 1.3550694901665439
Energy: 1.1590178916744958
Energy: 1.2795712655844018
Energy: 1.199548908973886
Energy: 1.2795712655844018
Energy: 1.1995489089743163
Energy: 1.2795712655844018
Energy: 1.199548908973456
Energy: 1.212236199158282
Energy: 1.2685957861933352
Energy: 1.2122361991578516
Energy: 1.2685957861825792
Energy: 1.2122361991595727
Energy: 1.268595786148629
Energy: 1.2707566934449144
Energy: 1.1970410443128419
Energy: 1.2707566934453447
Energy: 1.1970410443128419
Energy: 1.2707566934453447
Energy: 1.1970410443128419
Energy: 1.2625843468311135
Energy: 1.26847289108806
Energy: 1.2625843468315436
Energy: 1.26847289108806
Energy: 1.2625843468315436
Energy: 1.2684728910871996
Energy: 1.2082939493196987
Energy: 1.2511964823058987
Energy: 1.208293949320129
Energy: 1.2511964823054684
Energy: 1.2082939493188383
Energy: 1.2511964823058987
Energy: 1.3749406448297457
Energy: 1.2187750735934346
Energy: 1.3749406448306059
Energy: 1.2187750735912835
Energy: 1.3749406448301753
Energy: 1.2187750735857292
Energy: 1.1923541218931577
Energy: 1.2796797620916989
Energy: 1.1923541218935882
Energy: 1.2796797620916989
Energy: 1.1923541218935882
Energy: 1.2796797620921292
Energy: 1.1651094229973364
Energy: 1.3533905193523625
Energy: 1.1651094229973364
Energy: 1.3533905193519322
Energy: 1.1651094229960457
Energy: 1.3533905193523625
Energy: 1.308976183974704
Energy: 1.2017308752004496
Energy: 1.3089761839751346
Energy: 1.2017308752004496
Energy: 1.308976183974704
Energy: 1.2017308752004496
Energy: 1.3025200439347433
Energy: 1.176013755563031
Energy: 1.3025200439351736
Energy: 1.176013755563031
Energy: 1.3025200439351736
Energy: 1.176013755563031
Energy: 1.246100406313216
Energy: 1.2775479906595173
Energy: 1.246100406313646
Energy: 1.2775479906599476
Energy: 1.246100406313216
Energy: 1.2775479906595173
Energy: 1.3294860792443703
Energy: 1.2167672511603402
Energy: 1.3294860792448007
Energy: 1.2167672511594796
Energy: 1.3294860792409675
Energy: 1.2167672511607703
Energy: 1.2079795427085924
Energy: 1.3758917497387226
Energy: 1.207979542707732
Energy: 1.375891749739153
Energy: 1.207979542707732
Energy: 1.375891749739153
Energy: 1.1413541929869517
Energy: 1.258107112614713
Energy: 1.1413541929856608
Energy: 1.2581071126151429
Energy: 1.1413541929865212
Energy: 1.2581071126142824
Energy: 1.2905025404873938
Energy: 1.187783189605417
Energy: 1.2905025404886843
Energy: 1.1877831896114401
Energy: 1.2905025404891148
Energy: 1.1877831896135915
Energy: 1.230886044068734
Energy: 1.2401836168983582
Energy: 1.230886044068734
Energy: 1.2401836168970675
Energy: 1.230886044068734
Energy: 1.240183616899649
Energy: 1.2100503905652882
Energy: 1.338098615602364
Energy: 1.2100503905652882
Energy: 1.3380986156015036
Energy: 1.2100503905652882
Energy: 1.3380986156032246

minimum gb energy = 1.1413541929856608 eV
minimum distance =  2.65765858791278 Angstroms
sigma value = 57


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

Energy: 1.3083134848248543
Energy: 1.3794196824767042
Energy: 1.3083134848286826
Energy: 1.3794196824744072
Energy: 1.3083134848271512
Energy: 1.379419682475173
Energy: 1.3073012994710684
Energy: 1.4642527360861237
Energy: 1.3073012994703028
Energy: 1.464252736087655
Energy: 1.3073012994695372
Energy: 1.464252736087655
Energy: 1.5360880676648339
Energy: 1.3727160783450894
Energy: 1.5360880676640682
Energy: 1.3727160783450894
Energy: 1.5360880676655995
Energy: 1.3727160783450894
Energy: 1.3038941385760936
Energy: 1.5556149764382607
Energy: 1.303894138575328
Energy: 1.5556149764382607
Energy: 1.303894138575328
Energy: 1.5556149764382607
Energy: 1.5353157988622526
Energy: 1.3727017548632823
Energy: 1.5353157988630184
Energy: 1.3727017548632823
Energy: 1.5353157988630184
Energy: 1.3727017548632823
Energy: 1.3073800623160459
Energy: 1.5932188387288042
Energy: 1.3073800623160459
Energy: 1.3623720641002177
Energy: 1.30738006231528
Energy: 1.362372064099452
Energy: 1.308313484824089
Energy: 1.3794196824797667
Energy: 1.30831348482562
Energy: 1.3794196824790008
Energy: 1.3083134848286826
Energy: 1.3794196824759386
Energy: 1.3073012994725997
Energy: 1.4642527360884205
Energy: 1.3073012994710684
Energy: 1.4642527360884205
Energy: 1.3073012994703028
Energy: 1.4642527360884205
Energy: 1.5360880676648339
Energy: 1.3727160783458552
Energy: 1.5360880676625372
Energy: 1.3727160783458552
Energy: 1.5360880676648339
Energy: 1.3727160783458552
Energy: 1.3038941385768592
Energy: 1.5556149764390264
Energy: 1.3038941385760936
Energy: 1.5556149764382607
Energy: 1.3038941385760936
Energy: 1.555614976439792
Energy: 1.5353157988622526
Energy: 1.3727017548632823
Energy: 1.5353157988630184
Energy: 1.3727017548625167
Energy: 1.5353157988630184
Energy: 1.3727017548632823
Energy: 1.30738006231528
Energy: 1.3623720641002177
Energy: 1.30738006231528
Energy: 1.362372064100983
Energy: 1.30738006231528
Energy: 1.3623720641002177
Energy: 1.3083134848248543
Energy: 1.379419682475173
Energy: 1.30831348482562
Energy: 1.379419682475173
Energy: 1.3083134848248543
Energy: 1.379419682472876
Energy: 1.307301299471834
Energy: 1.464252736086889
Energy: 1.3073012994710684
Energy: 1.464252736087655
Energy: 1.3073012994703028
Energy: 1.464252736087655
Energy: 1.5360880676648339
Energy: 1.3727160783450894
Energy: 1.5360880676633024
Energy: 1.3727160783443237
Energy: 1.5360880676640682
Energy: 1.3727160783450894
Energy: 1.303894138575328
Energy: 1.6937933962200882
Energy: 1.303894138575328
Energy: 1.5556149764382607
Energy: 1.3038941385760936
Energy: 1.5556149764367992
Energy: 1.5353157988622526
Energy: 1.3727017548632823
Energy: 1.5353157988630184
Energy: 1.3727017548632823
Energy: 1.5353157988630184
Energy: 1.3727017548632823

minimum gb energy = 1.303894138575328 eV
minimum distance =  2.68913800106042 Angstroms
sigma value = 9


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

Energy: 1.4815027744873934
Energy: 1.3286891795809936
Energy: 1.481502774486143
Energy: 1.328689179579743
Energy: 1.4815027744880187
Energy: 1.3286891795809936
Energy: 1.3457982256001453
Energy: 1.4354341334059049
Energy: 1.3457982255995202
Energy: 1.4354341334046545
Energy: 1.345798225602646
Energy: 1.4354341334071552
Energy: 1.4486064740779954
Energy: 1.3262925788639317
Energy: 1.4486064740779954
Energy: 1.3262925788626814
Energy: 1.4486064740773705
Energy: 1.3262925788651818
Energy: 1.333008159462845
Energy: 1.4403191841045102
Energy: 1.333008159462845
Energy: 1.4403191841057603
Energy: 1.333008159462845
Energy: 1.4403191841063856
Energy: 1.404199623310831
Energy: 1.3162076814184966
Energy: 1.4041996233120813
Energy: 1.3162076814203718
Energy: 1.4041996233120813
Energy: 1.3162076814216221
Energy: 1.4305236277619935
Energy: 1.343116452709563
Energy: 1.430523627763869
Energy: 1.343116452709563
Energy: 1.4305236277619935
Energy: 1.3431164527101882
Energy: 1.330432190836266
Energy: 1.4966620409794602
Energy: 1.3304321908400165
Energy: 1.49666204097821
Energy: 1.3304321908381411
Energy: 1.4966620409794602
Energy: 1.3255124410861567
Energy: 1.444808241332998
Energy: 1.3255124410861567
Energy: 1.4448082413304972
Energy: 1.3255124410849064
Energy: 1.4448082413323726
Energy: 1.4742031621967737
Energy: 1.459219485466381
Energy: 1.4742031621986489
Energy: 1.4592194854651308
Energy: 1.4742031621967737
Energy: 1.4592194854657556
Energy: 1.332950346605201
Energy: 1.3891934580501777
Energy: 1.332950346605201
Energy: 1.3891934580501777
Energy: 1.3329503466058263
Energy: 1.389193458050803
Energy: 1.424922048757813
Energy: 1.3766701993117874
Energy: 1.4249220487596885
Energy: 1.3766701993117874
Energy: 1.4249220487590635
Energy: 1.3766701993124126
Energy: 1.5010885614722007
Energy: 1.3440234130950601
Energy: 1.5010885638460425
Energy: 1.3440234130956852
Energy: 1.5010885631568096
Energy: 1.3440234130944348
Energy: 1.3261799702684642
Energy: 1.4250369757687829
Energy: 1.3261799702684642
Energy: 1.4250369757687829
Energy: 1.3261799702672141
Energy: 1.4250369757687829
Energy: 1.4443990184625979
Energy: 1.4547523010206598
Energy: 1.4443990184625979
Energy: 1.4547523010212848
Energy: 1.4443990184625979
Energy: 1.454752301022535
Energy: 1.5403267973402073
Energy: 1.3402744868211447
Energy: 1.5403267973402073
Energy: 1.3402744868211447
Energy: 1.3835944878048985
Energy: 1.3402744868211447
Energy: 1.3263886793769468
Energy: 1.4872483987679774
Energy: 1.3263886793763218
Energy: 1.4872483987679774
Energy: 1.3263886793794473
Energy: 1.487248398769228
Energy: 1.4672881407831209
Energy: 1.438199629705951
Energy: 1.4672881407824958
Energy: 1.4381996297047006
Energy: 1.4672881407831209
Energy: 1.4381996297034503
Energy: 1.6827549426053336
Energy: 1.3431689825300401
Energy: 1.682754942605959
Energy: 1.3431689825300401
Energy: 1.682754942605959
Energy: 1.3431689825306654
Energy: 1.328528376904415
Energy: 1.4445817977951252
Energy: 1.3285283769037899
Energy: 1.4445817977951252
Energy: 1.32852837690504
Energy: 1.4445817977945
Energy: 1.3907824122380552
Energy: 1.3292741894965368
Energy: 1.3907824122368049
Energy: 1.3292741894990374
Energy: 1.3907824122361798
Energy: 1.329274189497787
Energy: 1.4920569394623193
Energy: 1.5162809090776799
Energy: 1.49205693946482
Energy: 1.5162809090770548
Energy: 1.4920569394641947
Energy: 1.5162809090758045

minimum gb energy = 1.3162076814184966 eV
minimum distance =  2.6584637922198 Angstroms
sigma value = 27


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

Energy: 1.4566825209238456
Energy: 1.5127882497937966
Energy: 1.4566825209233185
Energy: 1.5127882497943235
Energy: 1.4566825209227914
Energy: 1.5127882497943235
Energy: 1.4399509935302208
Energy: 1.4478710104968127
Energy: 1.4399509935312746
Energy: 1.4478710104978665
Energy: 1.4399509935307477
Energy: 1.4478710104947048
Energy: 1.5120890232672999
Energy: 1.42861129012502
Energy: 1.5120890232678263
Energy: 1.42861129012502
Energy: 1.5120890232678263
Energy: 1.42861129012502
Energy: 1.4779473974993527
Energy: 1.51615451432616
Energy: 1.4779473974993527
Energy: 1.51615451432616
Energy: 1.4779473974993527
Energy: 1.516154514326687
Energy: 1.4468759682199066
Energy: 1.4306474366658661
Energy: 1.4468759682214876
Energy: 1.4306474366658661
Energy: 1.4468759682204335
Energy: 1.4306474366658661
Energy: 1.5175373922158149
Energy: 1.4475866423379196
Energy: 1.517537392215288
Energy: 1.4475866423305426
Energy: 1.517537392214761
Energy: 1.4475866423379196
Energy: 1.4551634783898186
Energy: 1.4218582986621537
Energy: 1.4551634783940341
Energy: 1.4218582986616268
Energy: 1.4551634783940341
Energy: 1.4218582986616268
Energy: 1.5072082334370553
Energy: 1.5086116869892068
Energy: 1.50720823343969
Energy: 1.508611686987626
Energy: 1.50720823343969
Energy: 1.5086116869870991
Energy: 1.420112623985961
Energy: 1.4485938502708051
Energy: 1.420112623985961
Energy: 1.4485938502723859
Energy: 1.420112623983326
Energy: 1.4485938502723859
Energy: 1.4486611670308462
Energy: 1.4221538198559847
Energy: 1.4486611670303193
Energy: 1.4221538198565113
Energy: 1.4486611670313732
Energy: 1.4221538198570383
Energy: 1.4489038292848666
Energy: 1.4218341246845962
Energy: 1.4489038292869743
Energy: 1.4218341246830155
Energy: 1.4489038292853935
Energy: 1.4218341246835424
Energy: 1.4198268812927592
Energy: 1.4488671308304237
Energy: 1.419826881293286
Energy: 1.44886713082937
Energy: 1.4198268812948667
Energy: 1.4488671308298968
Energy: 1.5083832908976993
Energy: 1.507483573742527
Energy: 1.5083832908966457
Energy: 1.5074835737398924
Energy: 1.5083832908950647
Energy: 1.507483573742527
Energy: 1.455177039735669
Energy: 1.422271855415934
Energy: 1.455177039735669
Energy: 1.4222718554175147
Energy: 1.455177039735669
Energy: 1.4222718554175147
Energy: 1.5175343577467935
Energy: 1.4476151936800967
Energy: 1.5175343577467935
Energy: 1.4476151936858932
Energy: 1.5175343577473202
Energy: 1.4476151936832586
Energy: 1.4468314140517404
Energy: 1.4307103455171237
Energy: 1.4468314140506866
Energy: 1.4307103455171237
Energy: 1.4468314140501597
Energy: 1.4307103455171237
Energy: 1.4780892528945901
Energy: 1.5154270409758783
Energy: 1.4780892529009133
Energy: 1.5154270409769321
Energy: 1.4780892528961709
Energy: 1.5154270409753514
Energy: 1.5113593184565723
Energy: 1.4286830090927567
Energy: 1.5113593184560454
Energy: 1.4286830090927567
Energy: 1.5113593184565723
Energy: 1.4286830090927567
Energy: 1.438818645938568
Energy: 1.4475930212598056
Energy: 1.438818645937514
Energy: 1.4475930212624404
Energy: 1.438818645939095
Energy: 1.4475930212724522
Energy: 1.4566825209233185
Energy: 1.5127882497937966
Energy: 1.456682520922265
Energy: 1.5127882497948504
Energy: 1.4566825209227914
Energy: 1.5127882497948504
Energy: 1.4399509935307477
Energy: 1.4478710105041899
Energy: 1.4399509935307477
Energy: 1.4478710104962857
Energy: 1.4399509935302208
Energy: 1.4478710104978665
Energy: 1.512089023273623
Energy: 1.42861129012502
Energy: 1.5120890232720419
Energy: 1.42861129012502
Energy: 1.5120890232720419
Energy: 1.42861129012502
Energy: 1.4779473974998796
Energy: 1.516154514327741
Energy: 1.4779473974993527
Energy: 1.5161545143272142
Energy: 1.47794739750146
Energy: 1.5161545143272142
Energy: 1.4468759682209604
Energy: 1.4306474366653392
Energy: 1.4468759682204335
Energy: 1.4306474366642852
Energy: 1.4468759682214876
Energy: 1.430647436664812
Energy: 1.517537392214234
Energy: 1.4475866423363386
Energy: 1.517537392215288
Energy: 1.4475866423363386
Energy: 1.517537392214234
Energy: 1.4475866423400272

minimum gb energy = 1.4198268812927592 eV
minimum distance =  2.68163525210988 Angstroms
sigma value = 19


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

Energy: 1.5760528981753341
Energy: 1.3634572268190632
Energy: 1.576052898176244
Energy: 1.363457226816789
Energy: 1.5760528981753341
Energy: 1.3634572268186085
Energy: 1.3364066065336844
Energy: 1.3771401978545144
Energy: 1.3364066065332296
Energy: 1.377140197855424
Energy: 1.3364066065309554
Energy: 1.3771401978567888
Energy: 1.4431403462212389
Energy: 1.3704734637160763
Energy: 1.4148091655119948
Energy: 1.3704734637156213
Energy: 1.4148091655151784
Energy: 1.3704734637156213
Energy: 1.3789384373572022
Energy: 1.328673620785036
Energy: 1.3789384373576568
Energy: 1.328673620785036
Energy: 1.3789384373572022
Energy: 1.328673620785491
Energy: 1.3766804299020272
Energy: 1.3676494723664483
Energy: 1.3766804299020272
Energy: 1.3676494723682677
Energy: 1.3766804299029367
Energy: 1.3676494723664483
Energy: 1.3228947408962528
Energy: 1.3755791538645388
Energy: 1.3228947408962528
Energy: 1.3755791538636288
Energy: 1.3228947408967073
Energy: 1.3755791538627193
Energy: 1.372950524051232
Energy: 1.370809838397311
Energy: 1.3729505240530515
Energy: 1.370809838397311
Energy: 1.3729505240521418
Energy: 1.3708098383977663
Energy: 1.374081304130446
Energy: 1.426058723509471
Energy: 1.3740813041299913
Energy: 1.4260587235090163
Energy: 1.3740813041309012
Energy: 1.4260587235076516
Energy: 1.379532391150124
Energy: 1.3733626897689146
Energy: 0.7155275279547108
Energy: 1.37336268976755
Energy: 0.6748414463267804
Energy: 1.3733626897689146
Energy: 1.375502636196677
Energy: 1.3524202368263358
Energy: 1.3755026361962222
Energy: 1.3524202368245162
Energy: 1.3755026361975868
Energy: 1.3524202368249711
Energy: 1.3679536214563106
Energy: 1.402051440876664
Energy: 1.3679536214558559
Energy: 1.402051440876664
Energy: 1.3679536214567658
Energy: 1.4020514408757543
Energy: 1.373958952608089
Energy: 1.3834816391807059
Energy: 1.373958952608089
Energy: 1.3834816391807059
Energy: 1.373958952608089
Energy: 1.383481639179796
Energy: 1.327048587610336
Energy: 1.399148926965131
Energy: 1.327048587610336
Energy: 1.3991489269660407
Energy: 1.3270485876107907
Energy: 1.399148926964676
Energy: 1.3723371747517445
Energy: 1.2996208535667566
Energy: 1.3723371747526543
Energy: 1.2996208535658471
Energy: 1.3723371747508348
Energy: 1.2996208535653921
Energy: 1.3999364926871332
Energy: 1.3506946311767878
Energy: 1.399936492688043
Energy: 1.3506946311772425
Energy: 1.3999364926862237
Energy: 1.3506946311767878
Energy: 1.4564156651474882
Energy: 1.3659858612089557
Energy: 1.4564156651474882
Energy: 1.365985861208501
Energy: 1.4564156651465785
Energy: 1.3659858612089557
Energy: 1.3673298103075695
Energy: 1.3887328615884165
Energy: 1.3673298103075695
Energy: 1.3887328615888717
Energy: 1.3673298103071148
Energy: 1.3887328615884165
Energy: 1.4100610810125578
Energy: 1.381784481332197
Energy: 1.4100610810098286
Energy: 1.3817844813312874
Energy: 1.4100610810098286
Energy: 1.381784481332652
Energy: 1.317067465486527
Energy: 1.3767939702238405
Energy: 1.317067465486527
Energy: 1.3767939702238405
Energy: 1.3170674654828884
Energy: 1.3767939702242953
Energy: 1.3707438223195256
Energy: 1.363538744918622
Energy: 1.3707438223195256
Energy: 1.3635387449199867
Energy: 1.3707438223204353
Energy: 1.3635387449199867
Energy: 1.3716464121360583
Energy: 1.3927702916683125
Energy: 1.3716464121356036
Energy: 1.3927702916769544
Energy: 1.3716464121356036
Energy: 1.3927702916774096
Energy: 1.4247257247546872
Energy: 1.3747069252386503
Energy: 1.1480825832884454
Energy: 1.3747069252363762
Energy: 1.169588770045566
Energy: 1.3747069252359214
Energy: 1.3856621731915344
Energy: 1.3485743442084497
Energy: 1.3856621731910794
Energy: 1.3485743442079952
Energy: 1.3856621731906247
Energy: 1.3485743442097728
Energy: 1.3878417531966842
Energy: 1.3650522999671089
Energy: 1.3878417531975942
Energy: 1.3650522999671089
Energy: 1.387841753197139
Energy: 1.3650522999666541
Energy: 1.2622672566395159
Energy: 1.3745369772776175
Energy: 1.2622672563840154
Energy: 1.3745369772785272
Energy: 1.2622672556797452
Energy: 1.374536977279437
Energy: 1.3553582479231374
Energy: 1.3898381186873985
Energy: 1.3553582479222275
Energy: 1.389838118688308
Energy: 1.3553582479231374
Energy: 1.3898381186878535
Energy: 1.3778158186012037
Energy: 1.3481018652849146
Energy: 1.377815818600749
Energy: 1.3481018648757581
Energy: 1.3778158186016587
Energy: 1.3481018635631907
Energy: 1.3121792788203412
Energy: 1.3612922360802644
Energy: 1.3121792788221607
Energy: 1.3612922360811741
Energy: 1.312179278821251
Energy: 1.3612922360811741
Energy: 1.3621461706647862
Energy: 1.3752509220718978
Energy: 1.3621461706647862
Energy: 1.375250922071443
Energy: 1.3621461706647862
Energy: 1.3752509220723526

minimum gb energy = 0.6748414463267804 eV
minimum distance =  2.63932815092842 Angstroms
sigma value = 101


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

Energy: 1.497236730473132
Energy: 1.2715268054653883
Energy: 1.4972367304723322
Energy: 1.2715268054645885
Energy: 1.4972367304727319
Energy: 1.2715268054649886
Energy: 1.3323648338453307
Energy: 1.344795912559567
Energy: 1.3323648338473297
Energy: 1.344795912559167
Energy: 1.33236483384693
Energy: 1.344795912559567
Energy: 1.331984417035744
Energy: 1.3635801741199738
Energy: 1.331984417036144
Energy: 1.3635801741195739
Energy: 1.331984417036144
Energy: 1.363580174118774
Energy: 1.3411140740341878
Energy: 1.4386998139210265
Energy: 1.3411140740337884
Energy: 1.3302621452225074
Energy: 1.3411140740337884
Energy: 1.3302621452221075
Energy: 1.3440993273901252
Energy: 1.3158028695333357
Energy: 1.3440993273885258
Energy: 1.3158028695329358
Energy: 1.3440993273885258
Energy: 1.3158028695329358
Energy: 1.2505882386288663
Energy: 1.3987331485001544
Energy: 1.2505882386288663
Energy: 1.3987331485001544
Energy: 1.2505882386280665
Energy: 1.3987331485001544
Energy: 1.3438318432114271
Energy: 1.3422090267736395
Energy: 1.3438318432110272
Energy: 1.3422090267760387
Energy: 1.3438318432110272
Energy: 1.3422090267736395
Energy: 1.349419074986277
Energy: 1.3562768358774697
Energy: 1.3494190749850774
Energy: 1.35627683587667
Energy: 1.349419074985877
Energy: 1.35627683587667
Energy: 1.3312486264338284
Energy: 1.3586847307860106
Energy: 1.3312486264334282
Energy: 1.3586847307860106
Energy: 1.3312486264338284
Energy: 1.3586847307856107
Energy: 1.3420623631349127
Energy: 1.3817624194376725
Energy: 1.3420623631341129
Energy: 1.3313172391836463
Energy: 1.342062363119319
Energy: 1.3313172391856456
Energy: 1.3751876536517793
Energy: 1.5679551303710588
Energy: 1.3751876536513794
Energy: 1.5679551303694597
Energy: 1.3751876536513794
Energy: 1.5679551303698596
Energy: 1.3297907517989154
Energy: 1.3439548473355547
Energy: 1.3297907517981156
Energy: 1.3439548473335554
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Energy: 1.3439548473351548
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Energy: 1.355331093569779
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Energy: 1.355331093569779
Energy: 1.357468449063862
Energy: 1.3553310935709786
Energy: 1.3574684490630624
Energy: 1.330910846077035
Energy: 1.3177368154823754
Energy: 1.330910846076235
Energy: 1.317736815483975
Energy: 1.330910846076635
Energy: 1.3177368154831752
Energy: 1.329153380052686
Energy: 1.380102271748215
Energy: 1.3291533800534856
Energy: 1.3801022717494145
Energy: 1.3291533800534856
Energy: 1.3801022717474152
Energy: 1.3413173839352324
Energy: 1.3524549227511187
Energy: 1.3413173839376316
Energy: 1.3524549227515186
Energy: 1.3413173839352324
Energy: 1.352454922752718
Energy: 1.3483483711120463
Energy: 1.293896297264806
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Energy: 1.2938962972620072
Energy: 1.3483483711120463
Energy: 1.293896297262407
Energy: 1.2516485813855927
Energy: 1.3592459613391181
Energy: 1.2516485813863922
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Energy: 1.251648581385193
Energy: 1.359245961339918
Energy: 1.3558507807508176
Energy: 1.3532732552987226
Energy: 1.3558507807496183
Energy: 1.3532732552987226
Energy: 1.3558507807492184
Energy: 1.353273255297923
Energy: 1.3617067493326607
Energy: 1.480424730415267
Energy: 1.3617067493326607
Energy: 1.4804247304168663
Energy: 1.3617067493322612
Energy: 1.4804247304156668
Energy: 1.2966451818815106
Energy: 1.3496719837324933
Energy: 1.2966451818835099
Energy: 1.3496719837328932
Energy: 1.2966451818827103
Energy: 1.3496719837324933
Energy: 1.3359171325755528
Energy: 1.3556451102886364
Energy: 1.3359171325755528
Energy: 1.3556451102890363
Energy: 1.3359171325743535
Energy: 1.3556451102886364
Energy: 1.3412096140103715
Energy: 1.5376541680576326
Energy: 1.341209614009572
Energy: 1.5376541680584324
Energy: 1.3412096140111713
Energy: 1.5376541680588323
Energy: 1.3526411126149016
Energy: 1.365333167525552
Energy: 1.3526411126129025
Energy: 1.3653331675287508
Energy: 1.3526411126129025
Energy: 1.3653331675291507
Energy: 1.2448698107420406
Energy: 1.3797812848111775
Energy: 1.2448698107428402
Energy: 1.3797812848119768
Energy: 1.2448698107436398
Energy: 1.379781284811577
Energy: 1.3338449736292823
Energy: 1.34934977732127
Energy: 1.3338449736288824
Energy: 1.34934977732127
Energy: 1.333844973627683
Energy: 1.3493497773224694
Energy: 1.3489355260854514
Energy: 1.2450773743981771
Energy: 1.3489355260850517
Energy: 1.2450773743997767
Energy: 1.3489355260854514
Energy: 1.245077374398977
Energy: 1.5321216463021667
Energy: 1.3579902687909997
Energy: 1.5321216463021667
Energy: 1.3579902687905998
Energy: 1.5321216463021667
Energy: 1.3579902687909997
Energy: 1.3473407296908633
Energy: 1.366817330356605
Energy: 1.347340729690064
Energy: 1.3668173303570044
Energy: 1.347340729690064
Energy: 1.3668173303558049
Energy: 1.3614733804369406
Energy: 1.2754109556850324
Energy: 1.3614733804373402
Energy: 1.2754109556850324
Energy: 1.3614733804365404
Energy: 1.2754109556861957
Energy: 1.3313484545306735
Energy: 1.3809323117933752
Energy: 1.331348454533436
Energy: 1.3809323117921757
Energy: 1.331348454535435
Energy: 1.3809323117929755
Energy: 1.3374045175915867
Energy: 1.354393266556806
Energy: 1.3374045175899874
Energy: 1.3543932665572058
Energy: 1.3374045175887879
Energy: 1.354393266556806

minimum gb energy = 1.243649963539392 eV
minimum distance =  2.65751706743469 Angstroms
sigma value = 33


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

Energy: 0.024186107345019973
Energy: 0.9571308859293094
Energy: 0.024186107345019973
Energy: 0.9571308859293094
Energy: 0.024186107345019973
Energy: 0.9571308859293094
Energy: 0.025034825673204922
Energy: -0.6626811318162172
Energy: 0.025034825673869335
Energy: -0.6626811318162172
Energy: 0.025034825673869335
Energy: -0.6626811318159218
Energy: 0.9577700447209226
Energy: -0.6599574166802571
Energy: 0.9577674965921674
Energy: -0.6599574166805894
Energy: 0.9577674965824227
Energy: -0.6599574166812169
Energy: 0.02503482567287271
Energy: -0.6626811318165494
Energy: 0.025034825672577414
Energy: -0.6626811318159218
Energy: 0.02503482567287271
Energy: -0.6626811318165494

minimum gb energy = -0.6626811318165494 eV
minimum distance =  2.84318037221697 Angstroms
sigma value = 1