Model name: model_name=Sim_LAMMPS_MEAM_LiyanageSeongGonHouze_2014_FeC__SM_652425777808_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850997872650624
cohesive_energy=4.280336178503186
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.013295471442731941
Energy: 0.013929806808066525
Energy: 2.9467103457866104
Energy: 0.013929806808066525
Energy: 0.013929806808066525
Energy: 0.013815508335308467
Energy: 0.38328615988403325
Energy: 0.013815508335308467
Energy: 2.9467103457875905
Energy: 0.38328615988403325
Energy: 0.38315359377862823
Energy: 0.38328615988403325
Energy: 0.013929806808066525
Energy: 0.013815508335308467
Energy: 0.38328615988403325
Energy: 0.013815508335308467

minimum gb energy = 0.013295471442731941 eV
minimum distance =  2.46631056682529 Angstroms
sigma value = 1


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

Energy: 1.6150762727729067
Energy: 1.292615540414249
Energy: 1.0778393868500664
Energy: 1.292615540414249
Energy: 1.6743567678239397
Energy: 1.093649635340546
Energy: 1.0097991969116533
Energy: 1.093649635340546
Energy: 1.9028058800787766
Energy: 1.0090084936327155
Energy: 1.012044888168462
Energy: 1.0090084936327155
Energy: 1.4662145056363607
Energy: 1.0919779550408946
Energy: 1.0550592917336834
Energy: 1.0919779550408946
Energy: 1.4635240292788736
Energy: 1.0918450846422227
Energy: 1.4487777551695502
Energy: 1.0918450846410002
Energy: 1.6504441312865274
Energy: 0.9854150391418964
Energy: 0.9849994895605598
Energy: 0.9854150391406734
Energy: 1.2064684912565704
Energy: 1.1405419839484978
Energy: 0.9850307613030129
Energy: 1.1405419839484978
Energy: 0.9846204975989049
Energy: 0.9833970810724113
Energy: 1.4487264600991985
Energy: 0.9833970810724113
Energy: 1.2437294293316163
Energy: 1.0965555203649267
Energy: 1.4376014797357894
Energy: 1.0965555203637036
Energy: 1.6742745029029356
Energy: 0.9853132360604666
Energy: 1.287012361803532
Energy: 0.9853132360604666
Energy: 0.9932431422587796
Energy: 1.1307090227523147
Energy: 1.3458712895059621
Energy: 1.1307090227523147
Energy: 0.9932022321932472
Energy: 0.993512914141193
Energy: 2.1753684548884515
Energy: 0.99351291413997
Energy: 1.2082485905078317
Energy: 1.130605092561438
Energy: 1.4666924222646807
Energy: 1.130605092561438
Energy: 1.0074572315847263
Energy: 1.1310774670773642
Energy: 1.4475779284102503
Energy: 1.1310774670773642
Energy: 1.019321957136281
Energy: 1.0973621865587277
Energy: 1.6564048185517624
Energy: 1.0973621865587277
Energy: 1.0359729774681443
Energy: 1.0972561115256285
Energy: 1.6575048760593476
Energy: 1.0972561115256285
Energy: 1.0059796372367213
Energy: 1.1310560080366168
Energy: 1.4575043715507279
Energy: 1.1310560080366168
Energy: 1.2144575661677284
Energy: 1.1306496358232418
Energy: 1.4658119114982544
Energy: 1.1306496358232418
Energy: 0.997513441057077
Energy: 0.9932420573582553
Energy: 2.2418030716375323
Energy: 0.9932420573582553
Energy: 0.9933160734428685
Energy: 1.1307382224530484
Energy: 1.241565026117412
Energy: 1.1307382224542715
Energy: 1.6737582629452554
Energy: 0.985832612830327
Energy: 1.287189291210276
Energy: 0.985832612830327
Energy: 1.2436065478483764
Energy: 0.9844181499267551
Energy: 1.4371927081442073
Energy: 0.9844181499267551
Energy: 1.1154628946475915
Energy: 0.9838407475762383
Energy: 1.1976085747664427
Energy: 0.9838407475762383
Energy: 1.4413136211829694
Energy: 1.1408154712771914
Energy: 0.9849125097339356
Energy: 1.1408154712771914
Energy: 1.6602894486691344
Energy: 0.9855837122252578
Energy: 0.9848488063695187
Energy: 0.9855837122252578
Energy: 1.4399187177480723
Energy: 1.135585756785998
Energy: 1.4485979694050402
Energy: 1.135585756785998
Energy: 1.4635863415828338
Energy: 0.9841484439294359
Energy: 1.0239474355665197
Energy: 0.9841484439294359
Energy: 1.9045034399607899
Energy: 1.0086181556140836
Energy: 1.0090032680953116
Energy: 1.0086181556140836
Energy: 1.665578683947681
Energy: 1.0930183346667166
Energy: 1.0090602953570136
Energy: 1.0930183346667166
Energy: 1.6109227879959047
Energy: 1.1343917840953408
Energy: 1.0085212903121006
Energy: 1.1343917840965636
Energy: 1.6765844672724441
Energy: 1.0935589619384678
Energy: 1.0600498414532258
Energy: 1.0935589619384678
Energy: 1.6504365689415346
Energy: 1.1063459874702921
Energy: 0.995098663196989
Energy: 1.106345987471515
Energy: 1.4636444381678078
Energy: 1.135660495416377
Energy: 1.0563637043377307
Energy: 1.135660495416377

minimum gb energy = 0.9833970810724113 eV
minimum distance =  2.32771261180323 Angstroms
sigma value = 1


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

Energy: 1.6298486729229409
Energy: 1.052639446763261
Energy: 1.1203677522911637
Energy: 1.052639446838528
Energy: 1.5665261522301284
Energy: 1.0310309905496466
Energy: 1.1000899362320602
Energy: 1.0310309905496466
Energy: 1.543382021815637
Energy: 1.0664778065470402
Energy: 1.0686778647989483
Energy: 1.0664778065470402
Energy: 1.0308980828067746
Energy: 1.0450309870607744
Energy: 1.100738382268516
Energy: 1.0450309870607744
Energy: 1.0310469032104885
Energy: 1.0451023556072574
Energy: 1.582829214604562
Energy: 1.0451023556072574
Energy: 1.5437055012930876
Energy: 1.0449895025101053
Energy: 1.0445876827881375
Energy: 1.0449895025087106
Energy: 1.102666619085371
Energy: 1.1074996705660747
Energy: 1.044840785376291
Energy: 1.1074996705660747
Energy: 1.044592205372828
Energy: 1.0448442601598749
Energy: 1.5832359745765168
Energy: 1.0448442601598749
Energy: 1.0679120988147988
Energy: 1.0312571499959107
Energy: 1.5449100373492366
Energy: 1.0312571499959107
Energy: 1.1006713567760622
Energy: 1.031558537599478
Energy: 1.030857573314397
Energy: 1.031558537599478
Energy: 1.047405838682481
Energy: 1.1237416924686494
Energy: 1.5457624490986983
Energy: 1.1237416924686494
Energy: 1.045591300335423
Energy: 1.0463771881119284
Energy: 2.079205194473077
Energy: 1.0463771881105344
Energy: 1.1004568911721766
Energy: 1.1071793269639487
Energy: 1.5662818702649246
Energy: 1.1071793269639487
Energy: 1.1004568911721766
Energy: 1.1070590614707854
Energy: 1.565315383633916
Energy: 1.1070590614707854
Energy: 1.0456063893583118
Energy: 1.0463772642081794
Energy: 2.0790572683579547
Energy: 1.0463772642081794
Energy: 1.04745095745014
Energy: 1.1236667410321486
Energy: 1.545477479317489
Energy: 1.1236667410321486
Energy: 1.1006713567760622
Energy: 1.0312538809730238
Energy: 1.0309591144053003
Energy: 1.0312538809730238
Energy: 1.0664270064173575
Energy: 1.031279106549304
Energy: 1.544988678536111
Energy: 1.031279106549304
Energy: 1.0445752211283463
Energy: 1.0454640377992392
Energy: 1.5832359745793056
Energy: 1.0454640378006335
Energy: 1.0668366580306892
Energy: 1.1074494342200085
Energy: 1.044853176243244
Energy: 1.1074494342200085
Energy: 1.5434969601771122
Energy: 1.0457601755995032
Energy: 1.0447943230125318
Energy: 1.0457601755995032
Energy: 1.0309242606679663
Energy: 1.0451067071593287
Energy: 1.5828292146003786
Energy: 1.0451067071607232
Energy: 1.0308991777310723
Energy: 1.0450821947046827
Energy: 1.1007383822643328
Energy: 1.0450821947046827
Energy: 1.5437630856998164
Energy: 1.0665324247534955
Energy: 1.0670639496005674
Energy: 1.0665324247534955
Energy: 1.566519390182922
Energy: 1.0308879214756748
Energy: 1.1000899362334546
Energy: 1.0308879214756748
Energy: 1.6298486729313075
Energy: 1.0526394466336424
Energy: 1.1203758791566159
Energy: 1.0526394466838103
Energy: 1.5665261522301284
Energy: 1.0310309905496466
Energy: 1.1000899362334546
Energy: 1.0310309905482522
Energy: 1.5433820218170318
Energy: 1.0664778065470402
Energy: 1.0686778647989483
Energy: 1.0664778065456457
Energy: 1.0308980828067746
Energy: 1.0450309870607744
Energy: 1.100738382268516
Energy: 1.04503098705938

minimum gb energy = 1.030857573314397 eV
minimum distance =  2.32954621338364 Angstroms
sigma value = 25


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

Energy: 1.5551357441220641
Energy: 1.41535176992226
Energy: 1.246549829066092
Energy: 1.41535176992226
Energy: 1.69394399582569
Energy: 1.1290165647979709
Energy: 1.276778958668229
Energy: 1.1290165647979709
Energy: 1.7049327828316676
Energy: 1.1471575256427837
Energy: 1.1529151482750246
Energy: 1.1471575256427837
Energy: 1.465249103556287
Energy: 1.1201272473162576
Energy: 1.2671145726481952
Energy: 1.1201272473162576
Energy: 1.4644015141309685
Energy: 1.1204472767947593
Energy: 1.3967461502671394
Energy: 1.1204472767947593
Energy: 1.7055848091444263
Energy: 1.128957718613608
Energy: 1.1283797030884264
Energy: 1.128957718613608
Energy: 1.2017802902563477
Energy: 1.250896666324931
Energy: 1.1284138781369568
Energy: 1.250896666324931
Energy: 1.1366988806052654
Energy: 1.1482600684653228
Energy: 2.116402006301268
Energy: 1.1482600684653228
Energy: 1.1936838764779243
Energy: 1.2511437535773104
Energy: 1.4600575108223337
Energy: 1.2511437535773104
Energy: 1.1853949035667406
Energy: 1.1177613960074178
Energy: 1.553523798004079
Energy: 1.1177613960074178
Energy: 1.185554892555895
Energy: 1.251081472533226
Energy: 1.6927465328585285
Energy: 1.251081472533226
Energy: 1.210434974636162
Energy: 1.1483844062468795
Energy: 1.6913334570557543
Energy: 1.1483844062468795
Energy: 1.1856133794865185
Energy: 1.1178542218749843
Energy: 1.4599630419584166
Energy: 1.1178542218749843
Energy: 1.1933586037626356
Energy: 1.251260563020266
Energy: 1.4593812264819739
Energy: 1.251260563020266
Energy: 1.1475021037195667
Energy: 1.148994532739428
Energy: 2.0669245467718564
Energy: 1.148994532737807
Energy: 1.201494410621466
Energy: 1.2632342896866897
Energy: 1.1622004541193793
Energy: 1.2632342896866897
Energy: 2.057327027797638
Energy: 1.1294809703442448
Energy: 1.1285035448802463
Energy: 1.1294809703442448
Energy: 1.4188341735747407
Energy: 1.1209007772260624
Energy: 1.4319446125898263
Energy: 1.1209007772260624
Energy: 1.2994080921823712
Energy: 1.1200459743351752
Energy: 1.2351087460538404
Energy: 1.1200459743351752
Energy: 1.4111115012777553
Energy: 1.129030444778747
Energy: 1.1654915941163664
Energy: 1.129030444778747
Energy: 1.6949538822622907
Energy: 1.1292888055770542
Energy: 1.1599097154532805
Energy: 1.1292888055770542
Energy: 1.5514225374358521
Energy: 1.117962078591021
Energy: 1.184193854098038
Energy: 1.117962078591021
Energy: 1.7275834923357682
Energy: 1.2467677043874716
Energy: 1.184254577895135
Energy: 1.2467677043874716
Energy: 1.8882923570375212
Energy: 1.1516955816708456
Energy: 1.1516729618678878
Energy: 1.1516955816708456
Energy: 1.4649665001099343
Energy: 1.1200700023804624
Energy: 1.1389971784084967
Energy: 1.1200700023804624

minimum gb energy = 1.1177613960074178 eV
minimum distance =  2.33703824789213 Angstroms
sigma value = 9


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

Energy: 1.1854333534598014
Energy: 1.184373167096037
Energy: 1.3026309578101276
Energy: 1.184373167095839
Energy: 1.1841806208461207
Energy: 1.3170555488134517
Energy: 1.2217916771027162
Energy: 1.317055548813254
Energy: 1.221231096691495
Energy: 1.293689843881132
Energy: 1.3192582143753449
Energy: 1.2936898438813078
Energy: 1.2212444790237755
Energy: 1.2215207899413107
Energy: 1.2218217096404695
Energy: 1.2215207899409373
Energy: 1.2219160003434848
Energy: 1.2218516624155695
Energy: 1.275544052231127
Energy: 1.2218516624157671
Energy: 1.9914684934172915
Energy: 1.2214414450930136
Energy: 1.2212209450363916
Energy: 1.221441445092816
Energy: 1.2212941392280465
Energy: 1.2215385662018452
Energy: 1.275219958209242
Energy: 1.2215385662016476
Energy: 1.2823417245454525
Energy: 1.2224351354016667
Energy: 1.8770121280576333
Energy: 1.222435135401469
Energy: 1.403047043001894
Energy: 1.3166828087163056
Energy: 1.1838169998197052
Energy: 1.3166828087165032
Energy: 1.3787589275273664
Energy: 1.1842327601751297
Energy: 1.1840433000569783
Energy: 1.1842327601751297
Energy: 1.222703163827854
Energy: 1.316789795437927
Energy: 1.8767887561320074
Energy: 1.316789795437927
Energy: 1.323433983902469
Energy: 1.2729633401884655
Energy: 1.3200097201476981
Energy: 1.2729633401888392
Energy: 1.4030611244436069
Energy: 1.2212593442535982
Energy: 1.2217243107465088
Energy: 1.2212593442535982
Energy: 1.2755794038168786
Energy: 1.2782536911557485
Energy: 1.2225063982613518
Energy: 1.2782536911559461
Energy: 1.221727503312669
Energy: 1.221210162519665
Energy: 1.4030611244441782
Energy: 1.221210162519665
Energy: 1.3195201652223643
Energy: 1.2730397068883907
Energy: 1.3234686385397205
Energy: 1.2730397068881931
Energy: 1.876945522303677
Energy: 1.3168026670089126
Energy: 1.2224522672782685
Energy: 1.3168026670091104
Energy: 1.1839086243034889
Energy: 1.1842166813149873
Energy: 1.3787589275269927
Energy: 1.1842166813149873
Energy: 1.1837876455072023
Energy: 1.3166845511550707
Energy: 1.403047043002465
Energy: 1.3166845511548726
Energy: 1.8769308804390779
Energy: 1.2227492569024299
Energy: 1.2823162358792575
Energy: 1.2227492569024299
Energy: 1.2752745504012406
Energy: 1.221480091666323
Energy: 1.2214025369209585
Energy: 1.2214800916659276

minimum gb energy = 1.1837876455072023 eV
minimum distance =  2.32350585659558 Angstroms
sigma value = 25


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

Energy: 1.3552510735147283
Energy: 1.4442710123862912
Energy: 1.4234148282511816
Energy: 1.4442710123860465
Energy: 1.7816361314556206
Energy: 1.3997395880367698
Energy: 1.3518179871736469
Energy: 1.3997395880367698
Energy: 1.3996362222249017
Energy: 1.3794967666024416
Energy: 1.3507385037161346
Energy: 1.3794967666024416
Energy: 1.3320533025596903
Energy: 1.4427266912175225
Energy: 1.3516589526794078
Energy: 1.4427266912175225
Energy: 1.3991921087911128
Energy: 1.3859062299074685
Energy: 1.814493951901667
Energy: 1.385906229907251
Energy: 1.8468140054431537
Energy: 1.3876236826744712
Energy: 1.356133555248144
Energy: 1.3876236826742265
Energy: 1.4055150266158074
Energy: 1.4234638086499423
Energy: 1.3561734040154174
Energy: 1.4234638086499423
Energy: 1.4624200385146922
Energy: 1.4858197771502448
Energy: 1.7968749837622573
Energy: 1.4858197771502448
Energy: 1.4053712783416725
Energy: 1.4002265273176329
Energy: 1.3560586318456818
Energy: 1.4002265273176329
Energy: 1.4859465914403744
Energy: 1.4001572025070066
Energy: 1.35658191922745
Energy: 1.4001572025070066
Energy: 1.4645929757461214
Energy: 1.448603753432501
Energy: 1.7253259080922605
Energy: 1.448603753432501
Energy: 1.3991218026871226
Energy: 1.4000238711291528
Energy: 1.3489316887744693
Energy: 1.4000238711291528
Energy: 1.6255664636663865
Energy: 1.3752446463429848
Energy: 1.375755352300154
Energy: 1.3752446463429848
Energy: 1.74022544490982
Energy: 1.3803192909045396
Energy: 1.5327632182669209
Energy: 1.3803192909045396
Energy: 1.5671855237509846
Energy: 1.377705086679116
Energy: 1.4808921955869125
Energy: 1.377705086679116
Energy: 1.7453647641099779
Energy: 1.4042020961341757
Energy: 1.3926866497498698
Energy: 1.4042020961344204
Energy: 1.4834957624414735
Energy: 1.4003211387193844
Energy: 1.3493969469692757
Energy: 1.4003211387193844

minimum gb energy = 1.3320533025596903 eV
minimum distance =  2.3145768553967 Angstroms
sigma value = 17


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

Energy: 1.6612246209009887
Energy: 1.4270878168802859
Energy: 1.4773879943742325
Energy: 1.4270878168802859
Energy: 1.6293431208222944
Energy: 1.3830780682926662
Energy: 1.4921278405968845
Energy: 1.3830780682926662
Energy: 1.5505367890194233
Energy: 1.4514992247421123
Energy: 1.4243828719816618
Energy: 1.4514992247421123
Energy: 1.4008512210562079
Energy: 1.4110863117895944
Energy: 1.487807184459758
Energy: 1.4110863117895944
Energy: 1.4776048573652667
Energy: 1.4083940673975641
Energy: 1.673898893239689
Energy: 1.4083940673975641
Energy: 1.6884872904895556
Energy: 1.3959988211903132
Energy: 1.4358873163119008
Energy: 1.3959988211903132
Energy: 1.5165151672487918
Energy: 1.4213675767685428
Energy: 1.6732898385777835
Energy: 1.4213675767685428
Energy: 1.4412891064837552
Energy: 1.4156663339091022
Energy: 1.7023082820396664
Energy: 1.4156663339091022
Energy: 1.451639205052637
Energy: 1.430863930743652
Energy: 1.3887743291500805
Energy: 1.430863930743652
Energy: 1.6658559087354379
Energy: 1.4045680789406725
Energy: 1.4964459008280317
Energy: 1.4045680789406725
Energy: 1.4447738115292912
Energy: 1.4139008913681226
Energy: 1.629456697324161
Energy: 1.4139008913681226
Energy: 1.4824620794551358
Energy: 1.4129092102937006
Energy: 1.49509074902094
Energy: 1.4129092102937006
Energy: 1.6885782290433007
Energy: 1.4661178720742707
Energy: 1.4918270228112076
Energy: 1.4661178720742707
Energy: 1.4413048509028914
Energy: 1.4134479425942894
Energy: 1.515421892387805
Energy: 1.413447942592935
Energy: 1.4616460394525956
Energy: 1.4112826669249188
Energy: 1.7025419930892551
Energy: 1.4112826669249188
Energy: 1.6594094828815662
Energy: 1.4293699439608112
Energy: 1.4111801380156708
Energy: 1.4293699439608112
Energy: 1.4464439472573354
Energy: 1.4140130961066886
Energy: 1.5209936583666666
Energy: 1.4140130961066886
Energy: 1.4660741616455801
Energy: 1.477058800015639
Energy: 1.6288173028624813
Energy: 1.477058800015639
Energy: 1.454811584744729
Energy: 1.3995285151187422
Energy: 1.6529780840710278
Energy: 1.3995285151173877
Energy: 1.709124658597591
Energy: 1.39646538048597
Energy: 1.6530610162776955
Energy: 1.39646538048597
Energy: 1.4303421981490447
Energy: 1.4560089750527905
Energy: 1.6366156594413641
Energy: 1.4560089750541447
Energy: 1.4004879027542623
Energy: 1.412464212563887
Energy: 1.4216884893873103
Energy: 1.412464212563887
Energy: 1.6308814702177683
Energy: 1.4415566693493105
Energy: 1.4719171534837494
Energy: 1.4415566693493105
Energy: 1.645681298924517
Energy: 1.4245586823332645
Energy: 1.607736690100314
Energy: 1.4245586823332645
Energy: 1.6450041563913778
Energy: 1.4243963421151609
Energy: 1.5903512593355107
Energy: 1.4243963421151609
Energy: 1.665334379270777
Energy: 1.4417500829677963
Energy: 1.495181962814388
Energy: 1.4417500829677963
Energy: 1.4306089979836767
Energy: 1.4291905252456294
Energy: 1.4212516873655872
Energy: 1.4291905252456294
Energy: 1.4005329869310446
Energy: 1.4273126017713544
Energy: 1.6638188322843899
Energy: 1.4273126017713544
Energy: 1.5911021454736105
Energy: 1.395172369095683
Energy: 1.6546441485959105
Energy: 1.395172369095683
Energy: 1.4538426197509848
Energy: 1.3952989594605767
Energy: 1.433496002270874
Energy: 1.3952989594605767

minimum gb energy = 1.3830780682926662 eV
minimum distance =  2.32816849386991 Angstroms
sigma value = 53


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

Energy: 1.4706595956225799
Energy: 1.341816148899981
Energy: 1.6170043240389838
Energy: 1.3418161489002998
Energy: 1.5158351130200267
Energy: 1.3171295117651194
Energy: 1.4693675454500013
Energy: 1.3171295117648005
Energy: 1.4692839723891662
Energy: 1.3396692296711508
Energy: 1.5264109272919395
Energy: 1.3396692296711508
Energy: 1.5263951545251058
Energy: 1.3396409204799127
Energy: 1.4692073419073919
Energy: 1.3396409204799127
Energy: 1.4690876300060647
Energy: 1.3171316763158991
Energy: 1.515794440428087
Energy: 1.3171316763158991
Energy: 1.7728402887966612
Energy: 1.3418161489002998
Energy: 1.470659595622261
Energy: 1.3418161489002998
Energy: 1.4693675454509225
Energy: 1.3171295117654382
Energy: 1.515835113019708
Energy: 1.3171295117651194
Energy: 1.5264109272919395
Energy: 1.3396692296711508
Energy: 1.4692837242579866
Energy: 1.3396692296711508
Energy: 1.4691767702680691
Energy: 1.3396409204799127
Energy: 1.5263951545251058
Energy: 1.3396409204799127
Energy: 1.515794440428087
Energy: 1.3171316763155803
Energy: 1.4690876300063833
Energy: 1.3171316763158991
Energy: 1.470659595622261
Energy: 1.341816148899981
Energy: 1.6170887004007528
Energy: 1.3418161489002998
Energy: 1.515835113019708
Energy: 1.3171295117654382
Energy: 1.4693675454503201
Energy: 1.3171295117651194
Energy: 1.4692835909876865
Energy: 1.3396692296711508
Energy: 1.5264109272916209
Energy: 1.3396692296711508

minimum gb energy = 1.3171295117648005 eV
minimum distance =  2.34202603102676 Angstroms
sigma value = 9


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

Energy: 1.6245725364780181
Energy: 1.4719509952456267
Energy: 1.8127454320910183
Energy: 1.4719509952444725
Energy: 1.8182379160712443
Energy: 1.4882016017687882
Energy: 1.6398272198742239
Energy: 1.4882016017687882
Energy: 1.5793550830416936
Energy: 1.5168341855655538
Energy: 1.519485416056679
Energy: 1.5168341855655538
Energy: 1.531145367589878
Energy: 1.5103378906635936
Energy: 1.6231867698098847
Energy: 1.5103378906624396
Energy: 1.5739121501062996
Energy: 1.519928803011145
Energy: 1.8187779150163947
Energy: 1.519928803011145
Energy: 1.8082600650137413
Energy: 1.4494290229502282
Energy: 1.6247419794670903
Energy: 1.44942902294792
Energy: 1.6146528069357282
Energy: 1.4908964931685535
Energy: 1.8194713745525986
Energy: 1.4908964931685535
Energy: 1.5076565688600208
Energy: 1.4601524853451147
Energy: 1.5536567198201743
Energy: 1.4601524853451147
Energy: 1.6023275711324871
Energy: 1.4941394576960612
Energy: 1.5495567541198576
Energy: 1.4941394576949072
Energy: 1.680432427151264
Energy: 1.531738399245058
Energy: 1.6032945995044885
Energy: 1.531738399245058
Energy: 1.5058126652484076
Energy: 1.4619341539282948
Energy: 1.7620905943390512
Energy: 1.461934153929449
Energy: 1.8315610753713278
Energy: 1.5129593342315197
Energy: 1.5988199389770026
Energy: 1.5129593342315197
Energy: 1.5851558252510571
Energy: 1.445655742174762
Energy: 1.5137461385219226
Energy: 1.4456557421759162
Energy: 1.5804878156586653
Energy: 1.5037501847303878
Energy: 1.6899937935178084
Energy: 1.5037501847292334
Energy: 1.5712961741762417
Energy: 1.4602561406969414
Energy: 1.5861937505062265
Energy: 1.4602561406969414
Energy: 1.7783575515431478
Energy: 1.4496840761794756
Energy: 1.5316960641968627
Energy: 1.4496840761794756
Energy: 1.673930223721467
Energy: 1.4524409098214073
Energy: 1.850394182959647
Energy: 1.4524409098214073
Energy: 1.5082386707254833
Energy: 1.454634766286015
Energy: 1.610969592451681
Energy: 1.454634766286015
Energy: 1.8339679188661047
Energy: 1.5220321704953845
Energy: 1.559384205592083
Energy: 1.5220321704953845
Energy: 1.5969847349260649
Energy: 1.449885533186377
Energy: 1.5564444119936005
Energy: 1.4498855331875313
Energy: 1.5206195027423284
Energy: 1.4626921950465959
Energy: 1.805273641801028
Energy: 1.4626921950465959
Energy: 1.7152619583024606
Energy: 1.5047771015639917
Energy: 1.6554452085810214
Energy: 1.5047771015639917
Energy: 1.6484177055778046
Energy: 1.4467307398642675
Energy: 1.626576939495717
Energy: 1.4467307398631133
Energy: 1.5797520716880866
Energy: 1.5161791350450626
Energy: 1.787630148504219
Energy: 1.5161791350450626
Energy: 1.5398148630570518
Energy: 1.4630689593948936
Energy: 1.5359214180508312
Energy: 1.4630689593948936
Energy: 1.7462657702138449
Energy: 1.4862439684917024
Energy: 1.5339165755302613
Energy: 1.4862439684905482
Energy: 1.809145350334963
Energy: 1.500579684040073
Energy: 1.741540666818299
Energy: 1.500579684038919
Energy: 1.6278837185666455
Energy: 1.4964480824331827
Energy: 1.7441894815724683
Energy: 1.4964480824320285
Energy: 1.7358147173420615
Energy: 1.5147612898342795
Energy: 1.5426907908302383
Energy: 1.5147612898342795
Energy: 1.5412123094451426
Energy: 1.46229633921358
Energy: 1.5368782534184784
Energy: 1.46229633921358
Energy: 1.544242103231032
Energy: 1.5164181755312056
Energy: 1.751474750002078
Energy: 1.5164181755312056
Energy: 1.655522791595499
Energy: 1.499847479548117
Energy: 1.637540593707244
Energy: 1.499847479548117
Energy: 1.874853415746617
Energy: 1.5041713466945283
Energy: 1.6533556864373977
Energy: 1.5041713466945283
Energy: 1.5193114491804596
Energy: 1.4615811421814084
Energy: 1.8045550718654189
Energy: 1.4615811421814084
Energy: 1.55618400272119
Energy: 1.4476046633345385
Energy: 1.5559862214265767
Energy: 1.4476046633345385

minimum gb energy = 1.445655742174762 eV
minimum distance =  2.2917899291854 Angstroms
sigma value = 73


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

Energy: 1.6660272448489697
Energy: 1.464130738949712
Energy: 1.9508497416261612
Energy: 1.4641307389498994
Energy: 1.6592031828212506
Energy: 1.5343134770133502
Energy: 1.6228297303002885
Energy: 1.5343134770133502
Energy: 1.5562369906917575
Energy: 1.5342682926969855
Energy: 1.5117850125540084
Energy: 1.5342682926971725
Energy: 1.5531917780231628
Energy: 1.4640512886746926
Energy: 1.5877831243129112
Energy: 1.4640512886745054
Energy: 1.6769476857637644
Energy: 1.4641624288433057
Energy: 1.7137718930195471
Energy: 1.4641624288429522
Energy: 1.9729412593746583
Energy: 1.4820269668636954
Energy: 1.4725717209046008
Energy: 1.482026966863321
Energy: 1.5890024470819304
Energy: 1.5737611134185292
Energy: 1.714519009193938
Energy: 1.5737611134186957
Energy: 1.4960301051756855
Energy: 1.4637737338909822
Energy: 1.6245870942921534
Energy: 1.4637737338909822
Energy: 1.765284920569641
Energy: 1.517302644628331
Energy: 1.6210372464925211
Energy: 1.517302644628331
Energy: 1.5466403201031806
Energy: 1.5169168887856173
Energy: 1.6181372600996908
Energy: 1.5169168887856173
Energy: 1.5235746492585336
Energy: 1.4635651689189857
Energy: 1.9268588573343994
Energy: 1.463565168918611
Energy: 1.7653175938861865
Energy: 1.4638281905536075
Energy: 1.7146542917602046
Energy: 1.463828190553441
Energy: 1.6967894494751457
Energy: 1.4731019877621951
Energy: 1.472109654588963
Energy: 1.4731019877623617
Energy: 1.5639801716467554
Energy: 1.5646005725221386
Energy: 1.9626440261092475
Energy: 1.5646005725219723
Energy: 1.5646568051931116
Energy: 1.4634957830494058
Energy: 1.6147974070211937
Energy: 1.4634957830492188
Energy: 1.698037712903363
Energy: 1.5165194864619285
Energy: 1.5228171632844292
Energy: 1.516519486461762
Energy: 1.672721635869448
Energy: 1.448515175780939
Energy: 1.8391898616585949
Energy: 1.448515175780939
Energy: 1.6607497138456928
Energy: 1.4528777885065756
Energy: 1.839502558802346
Energy: 1.4528777885065756
Energy: 1.8417411824525616
Energy: 1.5624022513610967
Energy: 1.6165866863083989
Energy: 1.562402251360909
Energy: 1.5713574498591532
Energy: 1.463446413210486
Energy: 1.5228780646772089
Energy: 1.463446413210486
Energy: 1.5643413795196857
Energy: 1.6174653240591235
Energy: 1.8677256740364998
Energy: 1.6174653240589567
Energy: 1.6766164244597177
Energy: 1.463333389801501
Energy: 1.4726734308131626
Energy: 1.463333389801501

minimum gb energy = 1.448515175780939 eV
minimum distance =  2.29618967611263 Angstroms
sigma value = 7


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

Energy: 1.722462988023436
Energy: 1.476013756689421
Energy: 2.0160132143655307
Energy: 1.4760137566907157
Energy: 1.7382485294834793
Energy: 1.5484532907407147
Energy: 1.5892129041831198
Energy: 1.5484532907420097
Energy: 1.5699281034870969
Energy: 1.5056532292985476
Energy: 1.5015198239074241
Energy: 1.5056532292985476
Energy: 1.5879731585166803
Energy: 1.4666042944530655
Energy: 1.568168260980213
Energy: 1.466604294451771
Energy: 1.6495710965706782
Energy: 1.5034278411582722
Energy: 1.4543973032886408
Energy: 1.5034278411582722
Energy: 2.038006809728401
Energy: 1.4642326818820555
Energy: 1.4569436658090413
Energy: 1.4642326818820555
Energy: 1.5584184406978827
Energy: 1.634825048670973
Energy: 1.7838934734465266
Energy: 1.634825048670973
Energy: 1.4569371344939703
Energy: 1.4644995205223046
Energy: 1.6452116777764456
Energy: 1.4644995205223046
Energy: 1.7821325720193693
Energy: 1.5051378663663681
Energy: 1.5698437671896088
Energy: 1.5051378663663681
Energy: 1.5730748542936035
Energy: 1.4641616830877757
Energy: 1.587102609825056
Energy: 1.464161683086481
Energy: 1.5696369804328976
Energy: 1.5048480397533568
Energy: 1.6430675074844892
Energy: 1.5048480397533568
Energy: 1.8700384725320875
Energy: 1.464457773785917
Energy: 1.7273673241496932
Energy: 1.464457773785917
Energy: 1.8707726647388803
Energy: 1.4693720726378998
Energy: 1.711758262786728
Energy: 1.4693720726378998
Energy: 1.5728833477258015
Energy: 1.5055975831689041
Energy: 1.8722210973873439
Energy: 1.5055975831689041
Energy: 1.5701769184131125
Energy: 1.4635117049051334
Energy: 1.583542231011139
Energy: 1.4635117049038386
Energy: 1.7847487680037364
Energy: 1.5911393909174913
Energy: 1.570539050217212
Energy: 1.5911393909174913
Energy: 1.453678716211879
Energy: 1.463289335259107
Energy: 1.6483721171774959
Energy: 1.463289335259107
Energy: 1.538118105608245
Energy: 1.5054471172672426
Energy: 1.783513679016579
Energy: 1.5054471172685375
Energy: 2.037262530218993
Energy: 1.4636796732623816
Energy: 1.4560801147882603
Energy: 1.4636796732623816
Energy: 1.6483468143103341
Energy: 1.5051068502912104
Energy: 1.4546057953705618
Energy: 1.5051068502912104
Energy: 1.587210689436432
Energy: 1.6264137672107346
Energy: 1.5376831183717048
Energy: 1.6264137672107346
Energy: 1.5881801526763326
Energy: 1.5054910645589157
Energy: 1.5013174484033105
Energy: 1.505491064557621
Energy: 1.7383899054338496
Energy: 1.5639512529244237
Energy: 1.5683053529039621
Energy: 1.5639512529244237
Energy: 1.7154608724925728
Energy: 1.4702214974843613
Energy: 1.8714665943492061
Energy: 1.4702214974843613
Energy: 1.740454425961574
Energy: 1.467352291191784
Energy: 1.5882614067832306
Energy: 1.467352291191784
Energy: 1.6451516631582859
Energy: 1.5051250857203862
Energy: 1.501572814001804
Energy: 1.5051250857203862
Energy: 1.586008300535543
Energy: 1.458630806603533
Energy: 1.5677118408345179
Energy: 1.458630806603533
Energy: 1.6548513570740107
Energy: 1.506552954329281
Energy: 1.7820032384911226
Energy: 1.506552954329281
Energy: 1.6506876985958043
Energy: 1.4590498247723935
Energy: 1.4535506556133064
Energy: 1.4590498247723935
Energy: 1.7821513377259266
Energy: 1.6249976296073394
Energy: 1.783611634035362
Energy: 1.6249976296073394
Energy: 1.4535660831658859
Energy: 1.4584245710047565
Energy: 1.6506876986074273
Energy: 1.4584245710047565

minimum gb energy = 1.4535506556133064 eV
minimum distance =  2.30416220813474 Angstroms
sigma value = 29


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

Energy: 1.306168254954891
Energy: 1.4076280883860761
Energy: 1.6727359316104913
Energy: 1.4076280883860761
Energy: 1.7735376563698895
Energy: 1.3725688176507798
Energy: 1.4387254735631188
Energy: 1.3725688176512307
Energy: 1.6739098295354846
Energy: 1.349047774764962
Energy: 1.3510999346184767
Energy: 1.349047774764962
Energy: 1.8538766280725758
Energy: 1.3918941495373622
Energy: 1.3512459733204862
Energy: 1.3918941495373622
Energy: 1.8149644062671761
Energy: 1.4156259863237302
Energy: 1.350292212118252
Energy: 1.4156259863232792
Energy: 1.6874578729641854
Energy: 1.3486398843924712
Energy: 1.3501387750500762
Energy: 1.3486398843924712
Energy: 1.7754466721180535
Energy: 1.3490408674560816
Energy: 1.6721668879775657
Energy: 1.3490408674565326
Energy: 1.3049005861256997
Energy: 1.349412508620398
Energy: 2.0217266013547763
Energy: 1.349412508620398
Energy: 1.9146353438126895
Energy: 1.38780468074312
Energy: 1.3870189864491949
Energy: 1.387804680740013

minimum gb energy = 1.3049005861256997 eV
minimum distance =  2.33528775074852 Angstroms
sigma value = 5


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

Energy: 1.5666954119154946
Energy: 1.3638610933484687
Energy: 1.8423751570920193
Energy: 1.3638610933496917
Energy: 1.7318004304722998
Energy: 1.3617185252943815
Energy: 1.5346758582396895
Energy: 1.3617185252919355
Energy: 1.375321281518014
Energy: 1.4030624888011707
Energy: 1.4740857859834053
Energy: 1.4030624888011707
Energy: 1.3753964809604204
Energy: 1.4216473176104354
Energy: 1.5660139414748315
Energy: 1.4216473176116582
Energy: 1.3248123673694199
Energy: 1.4126688370315719
Energy: 1.388335950773556
Energy: 1.4126688370315719
Energy: 1.5166532910616972
Energy: 1.4484555348057917
Energy: 1.393715834148581
Energy: 1.4484555348057917
Energy: 1.5509231666646164
Energy: 1.3970750777249163
Energy: 1.5251936054510333
Energy: 1.3970750777249163
Energy: 1.5502006007533522
Energy: 1.3981683084706504
Energy: 1.6343648595277027
Energy: 1.3981683084706504
Energy: 1.8338171474711666
Energy: 1.3746270487891252
Energy: 1.5494267008481737
Energy: 1.3746270487891252
Energy: 1.7364101262865848
Energy: 1.3785689699503383
Energy: 1.5482815359220774
Energy: 1.3785689699515615
Energy: 1.4631110965086451
Energy: 1.4026080728559551
Energy: 1.5648766624834127
Energy: 1.4026080728559551
Energy: 1.4611483101846947
Energy: 1.4080639512116102
Energy: 1.3476949790387296
Energy: 1.4080639512116102
Energy: 1.5913630974925643
Energy: 1.4596472339508648
Energy: 1.346030713238595
Energy: 1.4596472339508648
Energy: 1.3780879651822058
Energy: 1.4136468147455141
Energy: 1.3459441136805084
Energy: 1.413646814746737
Energy: 1.4100262101526186
Energy: 1.393311815055566
Energy: 1.7322993486416476
Energy: 1.393311815055566
Energy: 1.7311826232166454
Energy: 1.3682597995636019
Energy: 1.5560945186108253
Energy: 1.3682597995636019
Energy: 1.657586982078081
Energy: 1.4321529206758197
Energy: 1.7021551577827618
Energy: 1.4321529206758197
Energy: 1.4519096559322955
Energy: 1.387537358086198
Energy: 1.6410358732458281
Energy: 1.3875373580849752
Energy: 1.5509576646622318
Energy: 1.3901881502706157
Energy: 1.4529160706717725
Energy: 1.3901881502693927
Energy: 1.4112995210026307
Energy: 1.4032363242975245
Energy: 1.3886636824683831
Energy: 1.4032363242975245
Energy: 1.4133126371082194
Energy: 1.4203229013245255
Energy: 1.4878768891518208
Energy: 1.4203229013245255
Energy: 1.4969259230728484
Energy: 1.434624663732587
Energy: 1.4538822593486052
Energy: 1.434624663732587
Energy: 1.3754971009713493
Energy: 1.425188889145742
Energy: 1.448302127580521
Energy: 1.4251888891469653
Energy: 1.6766699081136964
Energy: 1.372700288845097
Energy: 1.9203028721862516
Energy: 1.372700288845097
Energy: 1.68347428509876
Energy: 1.370729418674359
Energy: 1.9373227494939793
Energy: 1.370729418675582
Energy: 1.6255966785011309
Energy: 1.4126095602708635
Energy: 1.4550988191016285
Energy: 1.4126095602708635
Energy: 1.38033761705188
Energy: 1.4263274189753306
Energy: 1.4478905981910621
Energy: 1.4263274189753306
Energy: 1.4096806027943927
Energy: 1.4185577168752657
Energy: 1.7136536414572594
Energy: 1.4185577168740426
Energy: 1.4140142544747678
Energy: 1.414877756491959
Energy: 1.3883228387154394
Energy: 1.414877756491959
Energy: 1.5505715297647655
Energy: 1.5970459262368961
Energy: 1.4330641773937591
Energy: 1.5970459262368961
Energy: 1.554866333578686
Energy: 1.3993445839176906
Energy: 1.521374334983193
Energy: 1.3993445839176906
Energy: 1.559474353869854
Energy: 1.370132087835212
Energy: 1.7943640647167673
Energy: 1.3701320878339889
Energy: 1.838880058372355
Energy: 1.3696475318918393
Energy: 1.55324642426648
Energy: 1.3696475318918393

minimum gb energy = 1.3248123673694199 eV
minimum distance =  2.29451398859747 Angstroms
sigma value = 1


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

Energy: 1.555955955978693
Energy: 1.3394305258760453
Energy: 1.7576231123101276
Energy: 1.3394305258760453
Energy: 1.5339035438960507
Energy: 1.333940599441322
Energy: 1.4875362319139094
Energy: 1.333940599441322
Energy: 1.416219943802683
Energy: 1.3712736547037698
Energy: 1.6261350148610623
Energy: 1.3712736547037698
Energy: 1.4377441155374766
Energy: 1.4412826457132986
Energy: 1.5612669748883155
Energy: 1.4412826457132986
Energy: 1.3320979042992214
Energy: 1.3155249773785962
Energy: 1.3318957309224015
Energy: 1.3155249773785962
Energy: 1.3317104167259726
Energy: 1.350802890181941
Energy: 1.3313178955421596
Energy: 1.350802890181941
Energy: 1.5621151098507522
Energy: 1.3792766931069445
Energy: 1.531804576258826
Energy: 1.3792766931069445
Energy: 1.5620073062328053
Energy: 1.3820456874869782
Energy: 1.5704665157116473
Energy: 1.3820456874869782
Energy: 1.4840020383651105
Energy: 1.315770902532524
Energy: 1.425282075617151
Energy: 1.315770902532524
Energy: 1.4840020383651105
Energy: 1.3157342305200623
Energy: 1.4250168322271104
Energy: 1.3157342305200623
Energy: 1.562046502828217
Energy: 1.3791216856999933
Energy: 1.5704665157116473
Energy: 1.3791216856999933
Energy: 1.5625737924691883
Energy: 1.3825393925715965
Energy: 1.531804576258826
Energy: 1.3825393925715965
Energy: 1.3317409222385441
Energy: 1.3508956420780291
Energy: 1.3315719359584772
Energy: 1.3508956420780291
Energy: 1.3320910376821555
Energy: 1.3156372394137832
Energy: 1.331758193149257
Energy: 1.3156372394137832
Energy: 1.368758977428719
Energy: 1.4318465930037378
Energy: 1.5616754947045937
Energy: 1.4318465930037378
Energy: 1.416219943800992
Energy: 1.3718492974521488
Energy: 1.5818259382711317
Energy: 1.3718492974521488
Energy: 1.4643661097563283
Energy: 1.3206665256618193
Energy: 1.5515831806130818
Energy: 1.3206665256635104
Energy: 1.555955955978693
Energy: 1.3394305258760453
Energy: 1.7576137446315072
Energy: 1.3394305258760453
Energy: 1.5339035438943596
Energy: 1.333940599441322
Energy: 1.4875362319139094
Energy: 1.333940599441322
Energy: 1.416219943802683
Energy: 1.3712736547037698
Energy: 1.6261350148610623
Energy: 1.3712736547037698
Energy: 1.4377441155408588
Energy: 1.4412826457132986
Energy: 1.5612669748883155
Energy: 1.4412826457132986
Energy: 1.3320979042992214
Energy: 1.3155249773785962
Energy: 1.3318957309224015
Energy: 1.3155249773785962
Energy: 1.3317104167259726
Energy: 1.350802890181941
Energy: 1.3313178955421596
Energy: 1.350802890181941
Energy: 1.5621151098507522
Energy: 1.3792766931086355
Energy: 1.531804576258826
Energy: 1.3792766931069445

minimum gb energy = 1.3155249773785962 eV
minimum distance =  2.28289320146677 Angstroms
sigma value = 17


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

Energy: 1.7251719173793711
Energy: 1.314746293107247
Energy: 1.7736675373488557
Energy: 1.314746293107247
Energy: 1.5242699577391177
Energy: 1.3040904307252303
Energy: 1.48076909117344
Energy: 1.3040904307273207
Energy: 1.3151196834412016
Energy: 1.3328587097666427
Energy: 1.4301632916529745
Energy: 1.3328587097655975
Energy: 1.3313213883231907
Energy: 1.3386764743169162
Energy: 1.651758209033107
Energy: 1.3386764743169162
Energy: 1.3731621144669812
Energy: 1.33435574554199
Energy: 1.3808156147278732
Energy: 1.33435574554199
Energy: 1.4357832541489972
Energy: 1.3599086138364411
Energy: 1.3815103546247534
Energy: 1.3599086138364411
Energy: 1.4086688154732332
Energy: 1.3476846681983148
Energy: 1.2961562597048133
Energy: 1.3476846681983148
Energy: 1.4101486225763449
Energy: 1.3482883329994608
Energy: 1.3442245841073996
Energy: 1.3482883329994608
Energy: 1.6738379709207531
Energy: 1.322748438781536
Energy: 1.6001563749798544
Energy: 1.322748438781536
Energy: 1.580586197376112
Energy: 1.3272938821225169
Energy: 1.5982717668008455
Energy: 1.3272938821225169
Energy: 1.4913679380764855
Energy: 1.328172231137062
Energy: 1.549870697216155
Energy: 1.328172231137062
Energy: 1.4912720929728
Energy: 1.3290381169160503
Energy: 1.4874721688334662
Energy: 1.3290381169170955
Energy: 1.3989156997006595
Energy: 1.3451112159265997
Energy: 1.4190462507654784
Energy: 1.3451112159265997
Energy: 1.3233280643512544
Energy: 1.334534183052889
Energy: 1.4204773679594362
Energy: 1.334534183052889
Energy: 1.329862851906957
Energy: 1.3900354141712565
Energy: 1.419320397859198
Energy: 1.3900354141712565
Energy: 1.3324198105567555
Energy: 1.3496966706608762
Energy: 1.3546083117303944
Energy: 1.3496966706608762
Energy: 1.6240419284275263
Energy: 1.319684631715116
Energy: 1.305604247640842
Energy: 1.319684631715116
Energy: 1.5007216987942662
Energy: 1.3287612262571116
Energy: 1.5566079878029662
Energy: 1.3287612262581567
Energy: 1.4866515412098322
Energy: 1.3168778123625642
Energy: 1.5743260874341536
Energy: 1.3168778123636096
Energy: 1.6810557772948964
Energy: 1.314950715899495
Energy: 1.5050639230792175
Energy: 1.314950715899495
Energy: 1.4059833576426137
Energy: 1.5273331053468673
Energy: 1.6939602773088194
Energy: 1.5273331053468673
Energy: 1.414142996231893
Energy: 1.3354565035458814
Energy: 1.303529357282203
Energy: 1.3354565035458814
Energy: 1.5521009829940855
Energy: 1.5128897129162
Energy: 1.4513594680618975
Energy: 1.5128897129162
Energy: 1.3620134575519722
Energy: 1.349869512864681
Energy: 1.3082890912430265
Energy: 1.349869512864681
Energy: 1.3677062060266658
Energy: 1.3949164255112876
Energy: 1.4580019742287667
Energy: 1.3949164255112876
Energy: 1.3176218529041355
Energy: 1.3322669002223322
Energy: 1.4070388623582049
Energy: 1.3322669002223322
Energy: 1.5321779062153265
Energy: 1.3376561924447077
Energy: 1.494458676518392
Energy: 1.3376561924447077
Energy: 1.606335503152711
Energy: 1.303163106129137
Energy: 1.76129021145065
Energy: 1.303163106129137
Energy: 1.6010693149101687
Energy: 1.3022124006983968
Energy: 1.7645170818068558
Energy: 1.3022124006983968
Energy: 1.3150079822963276
Energy: 1.3312783946745947
Energy: 1.4068703547890367
Energy: 1.3312783946745947
Energy: 1.3190091166410547
Energy: 1.329712980783694
Energy: 1.4942222795777824
Energy: 1.329712980783694
Energy: 1.3621699846358577
Energy: 1.366001152671354
Energy: 1.375367789839247
Energy: 1.366001152671354
Energy: 1.368018115961338
Energy: 1.3471273638240489
Energy: 1.3080427599927942
Energy: 1.3471273638240489
Energy: 1.5119622825185914
Energy: 1.3911136283560053
Energy: 1.3035682112289808
Energy: 1.3911136283560053
Energy: 1.411601315430755
Energy: 1.330734041965878
Energy: 1.3433407032636002
Energy: 1.330734041965878
Energy: 1.5529543587790111
Energy: 1.3060845851954506
Energy: 1.60732194499944
Energy: 1.3060845851954506
Energy: 1.736901497919445
Energy: 1.3145851435562101
Energy: 1.5039119314980731
Energy: 1.3145851435562101
Energy: 1.5563716139921229
Energy: 1.3175439461112135
Energy: 1.4969251782530935
Energy: 1.3175439461122587

minimum gb energy = 1.2961562597048133 eV
minimum distance =  2.30030477507992 Angstroms
sigma value = 89


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

Energy: 1.5187083385928362
Energy: 1.2173247744004976
Energy: 1.558621275576587
Energy: 1.217324774401057
Energy: 1.3653267076791078
Energy: 1.4779926851786942
Energy: 1.4063453178560263
Energy: 1.4779926851800613
Energy: 1.3619734424477774
Energy: 1.2183034313447598
Energy: 1.2836919062431371
Energy: 1.2183034313450396
Energy: 1.331008671845752
Energy: 1.3014380680840931
Energy: 1.5773223795672993
Energy: 1.301438068084901
Energy: 1.3141290916129784
Energy: 1.296209421373374
Energy: 1.2448218928767845
Energy: 1.2962094213730944
Energy: 1.3140670230155567
Energy: 1.4443258382655513
Energy: 1.2451714778962573
Energy: 1.4443258382652715
Energy: 1.3167994461901762
Energy: 1.218564406375699
Energy: 1.2461079249575602
Energy: 1.218564406375699
Energy: 1.3148848321212276
Energy: 1.3027969245510274
Energy: 1.4438949244517039
Energy: 1.3027969245510274
Energy: 1.362153741211837
Energy: 1.2869731798404223
Energy: 1.2761761242291536
Energy: 1.2869731798401425
Energy: 1.5508549784451773
Energy: 1.2760628155815024
Energy: 1.2756056295577993
Energy: 1.2760628155815024
Energy: 1.4844399789950096
Energy: 1.215948120676909
Energy: 1.4429858046495079
Energy: 1.2159481206766294
Energy: 1.4850053038715192
Energy: 1.219274255183217
Energy: 1.4429120075931443
Energy: 1.2192742551834967
Energy: 1.3620481008238603
Energy: 1.2768118060670408
Energy: 1.2763519754941481
Energy: 1.2768118060670408
Energy: 1.3620507822219923
Energy: 1.275679131997333
Energy: 1.2752784676197304
Energy: 1.275679131997333
Energy: 1.3160534965195363
Energy: 1.2780225169578434
Energy: 1.44291641434695
Energy: 1.2780225169581232

minimum gb energy = 1.2159481206766294 eV
minimum distance =  2.28923742467316 Angstroms
sigma value = 13


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

Energy: 1.3503502349951686
Energy: 1.1707024202845815
Energy: 1.4577007345227284
Energy: 1.1707024202845815
Energy: 1.253653196211391
Energy: 1.4109129912005263
Energy: 1.270877092730585
Energy: 1.4109129912016725
Energy: 1.2625688337446708
Energy: 1.1527524512490952
Energy: 1.3361080975744033
Energy: 1.1527524512490952
Energy: 1.295111850095563
Energy: 1.3461075250530035
Energy: 1.3300736323409783
Energy: 1.3461075250541499
Energy: 1.2081152227094647
Energy: 1.1824795701732056
Energy: 1.2056941688093958
Energy: 1.1824795701720594
Energy: 1.3549303690654764
Energy: 1.3632936165674059
Energy: 1.294176312878767
Energy: 1.3632936165685523
Energy: 1.2242925347021503
Energy: 1.151915307264455
Energy: 1.2283236065459635
Energy: 1.151915307264455
Energy: 1.231872075960758
Energy: 1.274826175525315
Energy: 1.2238785233530212
Energy: 1.274826175525315
Energy: 1.1992130543498736
Energy: 1.182598643615977
Energy: 1.2037815038159576
Energy: 1.1825986436148308
Energy: 1.4180433748196855
Energy: 1.268426832859098
Energy: 1.3472799654874241
Energy: 1.268426832859098
Energy: 1.3257177841884766
Energy: 1.1571772837264294
Energy: 1.2581139785433044
Energy: 1.1571772837264294
Energy: 1.3223470213633468
Energy: 1.2392808808350122
Energy: 1.2236841157303728
Energy: 1.239280880833866
Energy: 1.2831765206885923
Energy: 1.17080081952481
Energy: 1.341606619691959
Energy: 1.17080081952481
Energy: 1.2806755690536373
Energy: 1.1743528070650118
Energy: 1.5174637080882516
Energy: 1.1743528070661582
Energy: 1.3254687428228131
Energy: 1.1572782801114752
Energy: 1.2549475224637716
Energy: 1.1572782801114752
Energy: 1.3224072074394493
Energy: 1.2381521879935218
Energy: 1.2616685918732276
Energy: 1.2381521879935218
Energy: 1.2932242067104096
Energy: 1.1819563986227062
Energy: 1.2038008150536326
Energy: 1.1819563986238524
Energy: 1.2053848394448925
Energy: 1.18172071144244
Energy: 1.3480213416835782
Energy: 1.18172071144244
Energy: 1.2242022819655654
Energy: 1.2368611157381966
Energy: 1.2315690682830103
Energy: 1.2368611157381966
Energy: 1.231863422298401
Energy: 1.2367827297955323
Energy: 1.224176148951364
Energy: 1.2367827297955323
Energy: 1.3477779759181658
Energy: 1.181817686313877
Energy: 1.2054162373881934
Energy: 1.181817686313877
Energy: 1.2037483850122495
Energy: 1.182043617531265
Energy: 1.2932242067092632
Energy: 1.182043617531265
Energy: 1.2616685918732276
Energy: 1.2392624790727838
Energy: 1.3225752465602794
Energy: 1.2392624790727838
Energy: 1.2549475224649178
Energy: 1.1577545885006049
Energy: 1.3258276848318573
Energy: 1.1577545885006049
Energy: 1.5164070075262543
Energy: 1.1740704395819395
Energy: 1.280425675674058
Energy: 1.1740704395819395
Energy: 1.3411838773730824
Energy: 1.1707886468743136
Energy: 1.283176520686352
Energy: 1.1707886468754596
Energy: 1.223608535260103
Energy: 1.2397911113666191
Energy: 1.3225332791346345
Energy: 1.2397911113666191
Energy: 1.2581139785433044
Energy: 1.1571350964451919
Energy: 1.3258617663128585
Energy: 1.1571350964451919
Energy: 1.347007274589574
Energy: 1.267794819351113
Energy: 1.4181746395661288
Energy: 1.2677948193522595
Energy: 1.2037651831090785
Energy: 1.1825758964375686
Energy: 1.1992578679054189
Energy: 1.1825758964375686
Energy: 1.2238553791224258
Energy: 1.2745677034294707
Energy: 1.2318189699803812
Energy: 1.2745677034283245
Energy: 1.2285666940020508
Energy: 1.1520034497474791
Energy: 1.2242927571791793
Energy: 1.1520034497474791
Energy: 1.2942452506067934
Energy: 1.3633430500745574
Energy: 1.3566150291011387
Energy: 1.3633430500745574
Energy: 1.2046315873705755
Energy: 1.1826382897703276
Energy: 1.208206243323034
Energy: 1.1826382897703276
Energy: 1.329935628833269
Energy: 1.3459375522381216
Energy: 1.2944276290162942
Energy: 1.3459375522381216

minimum gb energy = 1.151915307264455 eV
minimum distance =  2.29231609464316 Angstroms
sigma value = 37


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

Energy: 1.3648291232395573
Energy: 1.0850726314130492
Energy: 1.4030457838822328
Energy: 1.0850726314128474
Energy: 1.1660737377228003
Energy: 1.1264423546846838
Energy: 1.2338969292222473
Energy: 1.1264423546846838
Energy: 1.2469661102290346
Energy: 1.073157755964757
Energy: 1.3760330662350937
Energy: 1.073157755964757
Energy: 1.268298994753938
Energy: 1.3624235597288865
Energy: 1.242918295128234
Energy: 1.3624235597288865
Energy: 1.2184548983988086
Energy: 1.0734269221810608
Energy: 1.2489548520725888
Energy: 1.0734269221794923
Energy: 1.3626709232689442
Energy: 1.1823971063009027
Energy: 1.2473823909490833
Energy: 1.1823971063009027
Energy: 1.1640361724596104
Energy: 1.0784440325666182
Energy: 1.1790267963222172
Energy: 1.0784440325664166
Energy: 1.1622948257271897
Energy: 1.324876099151208
Energy: 1.2409050935593038
Energy: 1.3248760991504238
Energy: 1.166495651397993
Energy: 1.0735580838703764
Energy: 1.2399532245079248
Energy: 1.0735580838701748
Energy: 1.368738699633228
Energy: 1.1827601829154542
Energy: 1.2409539392664821
Energy: 1.1827601829156333
Energy: 1.2071493880890445
Energy: 1.074528874419669
Energy: 1.248876584842836
Energy: 1.074528874419669
Energy: 1.205681692233118
Energy: 1.2473489024300435
Energy: 1.240509666084487
Energy: 1.2473489024300435
Energy: 1.246885015308358
Energy: 1.0743824191116889
Energy: 1.320466667826862
Energy: 1.0743824191116889
Energy: 1.1659618160077505
Energy: 1.1974484472719615
Energy: 1.3208103955716985
Energy: 1.197448447273351
Energy: 1.3309140200660912
Energy: 1.0861202001005286
Energy: 1.248818383678011
Energy: 1.0861202001005286
Energy: 1.3313644972672363
Energy: 1.1186169820538194
Energy: 1.1989366631537763
Energy: 1.1186169820540213
Energy: 1.2468411279480227
Energy: 1.0741464195750914
Energy: 1.3209920682262668
Energy: 1.0741464195750914
Energy: 1.2637403098851856
Energy: 1.1949843976240784
Energy: 1.3209237189298586
Energy: 1.1949843976244816
Energy: 1.2069979774059145
Energy: 1.0745634281635748
Energy: 1.2487935030873203
Energy: 1.0745634281633731
Energy: 1.2055550143165856
Energy: 1.120945055635153
Energy: 1.2489212901146067
Energy: 1.120945055635153

minimum gb energy = 1.073157755964757 eV
minimum distance =  2.31048156925063 Angstroms
sigma value = 25


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

Energy: 1.2612212876291804
Energy: 0.9844432171472247
Energy: 1.317510904126638
Energy: 0.9844432171472247
Energy: 1.1273875724281477
Energy: 1.1095439765239798
Energy: 1.1164957641529805
Energy: 1.1095439765239798
Energy: 1.1130905585519935
Energy: 0.9751232062794378
Energy: 1.233383408923029
Energy: 0.9751232062794378
Energy: 1.1400234766547621
Energy: 1.2142075119076354
Energy: 1.1174091945202198
Energy: 1.2142075119076354
Energy: 1.1506082404924107
Energy: 0.9710618489372798
Energy: 1.1026445898558346
Energy: 0.9710618489372798
Energy: 1.19685379302871
Energy: 1.1799397156150389
Energy: 1.1536032175083242
Energy: 1.1799397156150389
Energy: 1.0524244177616768
Energy: 0.9710122152658615
Energy: 1.149484743136242
Energy: 0.9710122152658615
Energy: 1.1632799206595545
Energy: 1.1562519273026535
Energy: 1.214128520303284
Energy: 1.1562519273026535
Energy: 1.0774063214974015
Energy: 0.9726063971737469
Energy: 1.0976305843879277
Energy: 0.9726063971737469
Energy: 1.1863400912329745
Energy: 1.2092007888948915
Energy: 1.0953070703759926
Energy: 1.2092007888948915
Energy: 1.0737337717934001
Energy: 0.9721842362928209
Energy: 1.1018344962695394
Energy: 0.9721842362928209
Energy: 1.160869712815854
Energy: 1.080578728000046
Energy: 1.2129763555059487
Energy: 1.080578728000046
Energy: 1.0547855477228343
Energy: 0.9724840523379346
Energy: 1.1348905214881961
Energy: 0.9724840523379346
Energy: 1.2450772783134938
Energy: 1.1270799782066427
Energy: 1.1375965353143005
Energy: 1.1270799782066427
Energy: 1.1367624146182802
Energy: 0.9725460057030417
Energy: 1.1052047416955864
Energy: 0.9725460057030417
Energy: 1.20093542366202
Energy: 1.0533562270622676
Energy: 1.1195585578308167
Energy: 1.0533562270622676
Energy: 1.111469765191263
Energy: 0.9758194183214629
Energy: 1.2033008510493262
Energy: 0.9758194183214629
Energy: 1.0546184740384583
Energy: 1.1976548023946973
Energy: 1.2028454410781375
Energy: 1.1976548023946973
Energy: 1.2313829119029664
Energy: 0.986522074295637
Energy: 1.1051880304926236
Energy: 0.9865220742940972
Energy: 1.1271475956003714
Energy: 1.2053967817257356
Energy: 1.118465356578851
Energy: 1.2053967817272757
Energy: 1.1095635023494177
Energy: 0.976087689271393
Energy: 1.2034944772063396
Energy: 0.976087689271393
Energy: 1.1335290655366426
Energy: 1.2127948184013961
Energy: 1.2030370592616169
Energy: 1.2127948184013961
Energy: 1.136920198899453
Energy: 0.9722619447117022
Energy: 1.1049233925302246
Energy: 0.9722619447117022
Energy: 1.2020918858064797
Energy: 1.0957719003680997
Energy: 1.1509169690850525
Energy: 1.0957719003680997
Energy: 1.0552507910793785
Energy: 0.972397097640696
Energy: 1.1349299214109005
Energy: 0.972397097640696
Energy: 1.1461008992721007
Energy: 1.1235714225430933
Energy: 1.1386140226421253
Energy: 1.1235714225430933

minimum gb energy = 0.9710122152658615 eV
minimum distance =  2.28883122436259 Angstroms
sigma value = 41


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

Energy: 1.13699005939122
Energy: 0.9092741252323654
Energy: 1.1822969092446682
Energy: 0.9092741252323654
Energy: 1.024261666222365
Energy: 1.3087872994280378
Energy: 1.0770766728394736
Energy: 1.3087872994343501
Energy: 1.0106673853966772
Energy: 0.8939605828514872
Energy: 1.144848283074994
Energy: 0.8939605828514872
Energy: 1.0372916141494668
Energy: 1.163859994276946
Energy: 1.0775696621587416
Energy: 1.163859994276946
Energy: 1.129015467281116
Energy: 0.8882617897293867
Energy: 0.9966489508694664
Energy: 0.8882617897293867
Energy: 1.03724158737837
Energy: 1.129289809561087
Energy: 1.0708338024008404
Energy: 1.129289809561087
Energy: 1.0261559494831063
Energy: 0.8874548366384658
Energy: 1.0785557945715423
Energy: 0.8874548366384658
Energy: 1.0655508061602565
Energy: 1.0348140728829243
Energy: 1.070642084421647
Energy: 1.0348140728829243
Energy: 1.0790527371507144
Energy: 0.8875555741684426
Energy: 0.994828953563039
Energy: 0.887555574169705
Energy: 1.0962850344230417
Energy: 1.0655383195017478
Energy: 1.0881018499951374
Energy: 1.0655383195017478
Energy: 1.041798915534472
Energy: 0.8899145151662529
Energy: 1.0286795925070957
Energy: 0.8899145151662529
Energy: 1.041719234904943
Energy: 1.1053871358925296
Energy: 1.090293914985604
Energy: 1.1053871358912672
Energy: 1.0444719110588638
Energy: 0.8898529234870439
Energy: 1.026615942286878
Energy: 0.8898529234870439
Energy: 1.0807398386384146
Energy: 1.006887285949186
Energy: 1.083406391118998
Energy: 1.006887285949186
Energy: 1.0733504617648846
Energy: 0.8897473847397679
Energy: 0.9986311595163748
Energy: 0.8897473847397679
Energy: 1.0703081804308305
Energy: 0.9931225742255289
Energy: 1.0449162486036794
Energy: 0.9931225742255289
Energy: 1.030354226618087
Energy: 0.8898501058561326
Energy: 1.0739851710475012
Energy: 0.8898501058573948
Energy: 1.034401207551035
Energy: 0.9764572361449267
Energy: 1.0963577850458759
Energy: 0.9764572361449267
Energy: 1.0529323258248362
Energy: 0.890871289312051
Energy: 0.9983394934471156
Energy: 0.890871289312051
Energy: 1.079988532008793
Energy: 1.1129571516746641
Energy: 1.0259932806980872
Energy: 1.1129571516746641
Energy: 1.0077685004808983
Energy: 0.8947955160024608
Energy: 1.0636178205171194
Energy: 0.8947955160024608
Energy: 1.0243843888585136
Energy: 1.0334190546901718
Energy: 1.0403304670476043
Energy: 1.0334190546901718
Energy: 1.0603401435942135
Energy: 0.9104201907816983
Energy: 0.9999562605797058
Energy: 0.9104201907816983
Energy: 1.089270082369722
Energy: 1.1542662920325704
Energy: 1.025028614967824
Energy: 1.1542662920325704
Energy: 1.0129988057652715
Energy: 0.8952334495149517
Energy: 1.0647202431196983
Energy: 0.8952334495149517
Energy: 1.0360911786942164
Energy: 1.1262622458883549
Energy: 1.0369961508791505
Energy: 1.1262622458883549
Energy: 1.0527891663509905
Energy: 0.890855236741925
Energy: 1.000062080326627
Energy: 0.890855236741925
Energy: 1.0782192808455275
Energy: 1.1330462289653296
Energy: 1.0453571443713692
Energy: 1.1330462289653296
Energy: 1.0251435511528657
Energy: 0.8899335007673813
Energy: 1.064229112467769
Energy: 0.8899335007673813
Energy: 1.0625058118541963
Energy: 1.1203024810167
Energy: 1.0725948992996905
Energy: 1.1203024810167
Energy: 1.0641150840772722
Energy: 0.8894599937292343
Energy: 0.9943328202090669
Energy: 0.8894599937292343
Energy: 1.078880986413277
Energy: 0.9010828176469056
Energy: 1.0673731958029333
Energy: 0.9010828176469056

minimum gb energy = 0.8874548366384658 eV
minimum distance =  2.31198446532375 Angstroms
sigma value = 15


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

Energy: 1.0461780542782115
Energy: 0.8394223461244499
Energy: 1.0764541296213794
Energy: 0.8394223461244499
Energy: 1.0009346938370067
Energy: 0.8762008778338659
Energy: 0.9908233323307547
Energy: 0.8762008778349355
Energy: 0.9285813378807612
Energy: 0.8352351851417839
Energy: 1.0691007408843536
Energy: 0.8352351851417839
Energy: 0.9877960894712047
Energy: 1.076420099925976
Energy: 0.9912014316784065
Energy: 1.076420099925976
Energy: 1.050563282243197
Energy: 0.8257221586772534
Energy: 0.9154075160896473
Energy: 0.8257221586772534
Energy: 0.9876248165454
Energy: 0.8882919662970102
Energy: 0.9860246809599048
Energy: 0.8882919662863153
Energy: 0.936794124409681
Energy: 0.8189851461023696
Energy: 1.0203915488908497
Energy: 0.8189851461023696
Energy: 0.9832518208638132
Energy: 0.8900819203881657
Energy: 0.9863038424634731
Energy: 0.8900819203892352
Energy: 1.0114450648240705
Energy: 0.8193467114558016
Energy: 0.9157029732206019
Energy: 0.8193467114558016
Energy: 0.9838733784209331
Energy: 0.984397034284074
Energy: 0.9899356265109664
Energy: 0.984397034284074
Energy: 0.9512090793793001
Energy: 0.819485500323786
Energy: 0.9770939095187812
Energy: 0.819485500323786
Energy: 0.9907318201155351
Energy: 1.0037592212795898
Energy: 0.990129786941144
Energy: 1.0037592212785205
Energy: 0.9786102883782543
Energy: 0.8212596806588817
Energy: 0.939688443878333
Energy: 0.8212596806599511
Energy: 1.0025562249850415
Energy: 1.00279302091982
Energy: 0.9920824482322722
Energy: 1.00279302091982
Energy: 0.9781024448026325
Energy: 0.8212246837295615
Energy: 0.9428155536912625
Energy: 0.8212246837295615
Energy: 0.9909144824909707
Energy: 1.0048885510309054
Energy: 0.9904044914262348
Energy: 1.0048885510309054
Energy: 0.9547055722466492
Energy: 0.8213206260910775
Energy: 0.9766278241928688
Energy: 0.8213206260910775
Energy: 0.9903455753916954
Energy: 0.9308072516098964
Energy: 0.9849807420375707
Energy: 0.9308072516098964
Energy: 0.995691243651167
Energy: 0.821271156926362
Energy: 0.9188242331742417
Energy: 0.821271156926362
Energy: 0.9870292561602722
Energy: 1.0027137712351055
Energy: 0.9828624749791095
Energy: 1.0027137712351055
Energy: 0.9402589766727387
Energy: 0.820896535389518
Energy: 1.018089153156626
Energy: 0.820896535389518
Energy: 0.9558725389653756
Energy: 1.0525528108730933
Energy: 0.9886503888621568
Energy: 1.0525528108730933
Energy: 0.9794085509428161
Energy: 0.8273945299655311
Energy: 0.916168777340033
Energy: 0.8273945299655311
Energy: 0.99049022189994
Energy: 1.0747338064652519
Energy: 0.9569203317527147
Energy: 1.0747338064641823
Energy: 0.9268971509803163
Energy: 0.836448171688236
Energy: 0.9938664354632052
Energy: 0.836448171688236
Energy: 0.9525758591870644
Energy: 1.0743387829119986
Energy: 1.0011636735670428
Energy: 1.074338782910929
Energy: 0.9881336549147925
Energy: 0.8403758740753555
Energy: 0.9175457745665959
Energy: 0.8403758740753555
Energy: 0.9933401719843934
Energy: 1.113433029194406
Energy: 0.9564887170838065
Energy: 1.113433029194406
Energy: 0.9335450049963488
Energy: 0.8364114223265403
Energy: 0.9946592307300454
Energy: 0.8364114223276098
Energy: 0.987455759815231
Energy: 1.0836359104510338
Energy: 1.001175752345824
Energy: 1.0836359104510338
Energy: 0.9794731436360282
Energy: 0.8273005716205123
Energy: 0.917961150565963
Energy: 0.8273005716205123
Energy: 0.991642654390383
Energy: 1.0903294194384427
Energy: 0.9687413152759867
Energy: 1.0903294194384427
Energy: 0.9362815914083531
Energy: 0.820986515915986
Energy: 1.0045899932573452
Energy: 0.820986515915986
Energy: 0.9752205090018099
Energy: 1.0710799364811423
Energy: 0.9888112385889619
Energy: 1.0710799364811423
Energy: 1.0078567148226591
Energy: 0.8212675799424894
Energy: 0.9679122651055871
Energy: 0.82126757994142
Energy: 0.9858455982568578
Energy: 0.9176067795713589
Energy: 0.9879428455806367
Energy: 0.9176067795713589
Energy: 0.9476395151366097
Energy: 0.8214100224577184
Energy: 0.9769956629868503
Energy: 0.8214100224577184

minimum gb energy = 0.8189851461023696 eV
minimum distance =  2.31822991278979 Angstroms
sigma value = 85


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

Energy: 1.0339434423389766
Energy: 0.7816973566118621
Energy: 0.9053363037388513
Energy: 0.7816973566118621
Energy: 0.8909907517176187
Energy: 0.8803411498301111
Energy: 0.903633157573678
Energy: 0.8803411498301111
Energy: 0.836382328620124
Energy: 0.7827473824927805
Energy: 0.9914460692085901
Energy: 0.7827473824927805
Energy: 0.8875401892227919
Energy: 0.7285359647797547
Energy: 0.903658588588545
Energy: 0.728535964780682
Energy: 1.013646759839336
Energy: 0.7535021143517746
Energy: 0.8280688916086916
Energy: 0.7535021143517746
Energy: 0.8877195836927058
Energy: 0.7308697347779909
Energy: 0.9028919702229089
Energy: 0.7308697347779909
Energy: 0.8531240918980979
Energy: 0.7547878143415492
Energy: 0.980876941580078
Energy: 0.7547878143415492
Energy: 0.9009243876589728
Energy: 0.8207195350432156
Energy: 0.9029321448352485
Energy: 0.820719535042288
Energy: 0.9540008943418684
Energy: 0.7388605153621267
Energy: 0.8900820464508343
Energy: 0.7388605153621267
Energy: 0.9005314342821724
Energy: 0.8358244877501785
Energy: 0.9049329881588873
Energy: 0.8358244877501785
Energy: 0.8511564504684737
Energy: 0.7388191036046209
Energy: 0.9355239161610296
Energy: 0.7388191036046209
Energy: 0.9153540366830615
Energy: 0.9118999340442312
Energy: 0.9051844072083329
Energy: 0.9118999340433036
Energy: 0.9040176445471402
Energy: 0.7394702207416459
Energy: 0.8856809770371676
Energy: 0.7394702207416459
Energy: 0.9152672393936743
Energy: 0.9396185109376417
Energy: 0.9157060181665518
Energy: 0.9396185109367143
Energy: 0.866439821651387
Energy: 0.7395523247669775
Energy: 0.9035834419273306
Energy: 0.7395523247669775
Energy: 0.9113240167739168
Energy: 0.9408211270938122
Energy: 0.9269385419673964
Energy: 0.9408211270938122
Energy: 0.8660790347788289
Energy: 0.7394132157692178
Energy: 0.9001754376828274
Energy: 0.7394132157692178
Energy: 0.9150237571371418
Energy: 0.9404041722487227
Energy: 0.9159800616141647
Energy: 0.9404041722496503
Energy: 0.8975154596052667
Energy: 0.7395745727372224
Energy: 0.8858850729337744
Energy: 0.7395745727372224
Energy: 0.9052635533539596
Energy: 0.8653591516698952
Energy: 0.9098166152253897
Energy: 0.8653591516698952
Energy: 0.8467387910607546
Energy: 0.7400302315745321
Energy: 0.9212735467191825
Energy: 0.7400302315754597
Energy: 0.8986763542458341
Energy: 0.8709301556689453
Energy: 0.9075341108999576
Energy: 0.8709301556689453
Energy: 0.931221130777619
Energy: 0.7400518470881762
Energy: 0.8851103503140396
Energy: 0.7400518470881762
Energy: 0.909187604632401
Energy: 0.9600988390170628
Energy: 0.8880912687977871
Energy: 0.9600988390170628
Energy: 0.8513446865210497
Energy: 0.7556794585598662
Energy: 0.9437525702386859
Energy: 0.7556794585589387
Energy: 0.8910035884732127
Energy: 1.0881307908051607
Energy: 0.89961726846245
Energy: 1.0881307908051607
Energy: 0.965223000075587
Energy: 0.7534404871281967
Energy: 0.8290443146671418
Energy: 0.7534404871281967
Energy: 0.9148824493117161
Energy: 0.923036073806976
Energy: 0.8438046153783623
Energy: 0.9230360738079038
Energy: 0.8348227277120226
Energy: 0.7826065917942804
Energy: 0.9065705598024966
Energy: 0.7826065917942804
Energy: 0.8913546583468508
Energy: 0.7620146155904058
Energy: 0.9035379479617053
Energy: 0.7620146155904058
Energy: 0.9410566284764095
Energy: 0.7822911305200642
Energy: 0.8298320579447515
Energy: 0.7822911305200642
Energy: 0.9305834778644863
Energy: 0.7874437162575121
Energy: 0.8460048724708579
Energy: 0.7874437162575121
Energy: 0.8335677629943283
Energy: 0.7826687170400999
Energy: 0.9073590604400054
Energy: 0.7826687170400999
Energy: 0.8873876706270648
Energy: 0.7718613523490525
Energy: 0.9030070361155157
Energy: 0.7718613523490525
Energy: 0.9156337335071266
Energy: 0.753078087602266
Energy: 0.8301061486610665
Energy: 0.7530780876013384
Energy: 0.9149148279878305
Energy: 1.0104681458980673
Energy: 0.8895694289527272
Energy: 1.0104681458980673
Energy: 0.8525429071467555
Energy: 0.7557304716031981
Energy: 0.9434390677095106
Energy: 0.7557304716031981
Energy: 0.8982861941255438
Energy: 1.0210126336607637
Energy: 0.8993968880140232
Energy: 1.0210126336570533
Energy: 0.9306911443579355
Energy: 0.7398728999691805
Energy: 0.8867950727288376
Energy: 0.7398728999701082
Energy: 0.9092663377083525
Energy: 1.0078930242487858
Energy: 0.9098487189321512
Energy: 1.0078930242487858
Energy: 0.8481920377450698
Energy: 0.7398414815904685
Energy: 0.9206324373122579
Energy: 0.7398414815904685
Energy: 0.9151919989615345
Energy: 0.9118146503083219
Energy: 0.9065529429449762
Energy: 0.9118146503083219
Energy: 0.8976338857680232
Energy: 0.7400425394311172
Energy: 0.8891802640625449
Energy: 0.7400425394311172

minimum gb energy = 0.7285359647797547 eV
minimum distance =  2.31830820343447 Angstroms
sigma value = 113


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

Energy: 0.01504650920851066
Energy: 0.015407847555379876
Energy: 1.5187926256881616
Energy: 0.015407847555379876
Energy: 0.015856471405966122
Energy: 0.700918402971212
Energy: 0.015856471405966122
Energy: 0.700918402971212
Energy: 1.3237068805846286
Energy: 0.015407847555379876
Energy: 0.01504650920851066
Energy: 0.015407847555379876
Energy: 0.015856471405966122
Energy: 0.700918402971212
Energy: 0.015856471405966122
Energy: 0.700918402971212
Energy: 0.01504650920851066
Energy: 0.015407847555379876
Energy: 1.5187926256881616
Energy: 0.015407847555379876
Energy: 0.015856471405966122
Energy: 0.700918402971212
Energy: 0.015856471405966122
Energy: 0.700918402971212

minimum gb energy = 0.01504650920851066 eV
minimum distance =  2.44720252533317 Angstroms
sigma value = 1