Model name: model_name=SW_MX2_KurniawanPetrieWilliams_2021_MoS__MO_677328661525_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.459976688027382
cohesive_energy=12.679847835460636
mass=95.95
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: 0.05293453614276309
Energy: 0.05696826170618453
Energy: 1.004963707751156
Energy: 0.05696807129213255
Energy: 0.05293453614276309
Energy: 0.056978914071265575
Energy: 0.056974773306910996
Energy: 12.162291644987352
Energy: 0.05698158036440945
Energy: 11.876870989531886
Energy: 0.056968892141596755
Energy: 10.145132616160135
Energy: 1.004963707751156
Energy: 0.05699980836676272
Energy: 0.05293453614276309
Energy: 0.05696562725674815
Energy: 1.0049637077445341
Energy: 0.056969334029578475
Energy: 0.05697074339674045
Energy: 11.876870989525264
Energy: 0.05696440297542187
Energy: 12.162271495191714
Energy: 0.05696980063934603
Energy: 10.145132616160135
Energy: 0.05293453614276309
Energy: 0.056975034325321965
Energy: 1.004963707751156
Energy: 0.05696855667985929
Energy: 0.05293453614276309
Energy: 0.05698656319206598
Energy: 0.05697871799135599
Energy: 10.145132616160135
Energy: 0.056966845309656886
Energy: 10.145132616160135
Energy: 0.056987379242839614
Energy: 10.145132616160135

minimum gb energy = 0.05293453614276309 eV
minimum distance =  2.02008538165475 Angstroms
sigma value = 1


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

Energy: 5.850027949559762
Energy: 5.424008752126966
Energy: 5.583522772082095
Energy: 5.4240087521285965
Energy: 5.850027949563022
Energy: 5.4240087521285965
Energy: 5.75931423348054
Energy: 5.275045267009912
Energy: 5.426813666761092
Energy: 5.275045267013172
Energy: 5.75931423348054
Energy: 5.275045267011541
Energy: 5.548470204385881
Energy: 5.27238368087591
Energy: 5.906018250801922
Energy: 5.27238368087265
Energy: 5.548470204385881
Energy: 5.27238368087428
Energy: 5.535812063239552
Energy: 4.829172675447229
Energy: 5.419432817607918
Energy: 4.829172675450488
Energy: 5.535812063249334
Energy: 4.829172675450488
Energy: 5.9793872890796465
Energy: 5.424711339759208
Energy: 6.012928105373649
Energy: 5.424711339759208
Energy: 5.979387289082907
Energy: 5.424711339757578
Energy: 6.058400608481784
Energy: 5.275501227290334
Energy: 5.533646354816946
Energy: 5.275501227287075
Energy: 6.058400608486676
Energy: 5.275501227287075
Energy: 5.8805176522583755
Energy: 5.276124803751257
Energy: 5.530853002118531
Energy: 5.276124803749626
Energy: 5.880517652261637
Energy: 5.276124803749626
Energy: 6.112222004735125
Energy: 5.424789657964255
Energy: 5.439457317188253
Energy: 5.424789657965885
Energy: 6.112222004728604
Energy: 5.424789657965885
Energy: 5.834643244755473
Energy: 4.829267305464754
Energy: 5.412150363239368
Energy: 4.829267305464754
Energy: 5.834643244755473
Energy: 4.829267305463124
Energy: 5.889408939742894
Energy: 5.272594080288452
Energy: 5.530597035910708
Energy: 5.272594080293342
Energy: 5.889408939739633
Energy: 5.272594080294973
Energy: 5.490107367898805
Energy: 4.746344503906442
Energy: 5.432124352957251
Energy: 4.746344503901551
Energy: 5.490107367902065
Energy: 4.746344503903181
Energy: 5.424348806312459
Energy: 5.424199380457159
Energy: 5.4243371252980825
Energy: 5.424199380457159
Energy: 5.42434880631083
Energy: 5.424199380457159
Energy: 5.432115026493267
Energy: 4.746344503906442
Energy: 5.539946564692575
Energy: 4.746344503904811
Energy: 5.432115026496527
Energy: 4.746344503906442
Energy: 5.530633328285764
Energy: 5.2726053613630715
Energy: 5.889374080963949
Energy: 5.272605361366331
Energy: 5.530633328284133
Energy: 5.272605361364701
Energy: 5.4124363415470595
Energy: 4.829061318709292
Energy: 5.834678496325463
Energy: 4.829061318715813
Energy: 5.4124363415470595
Energy: 4.8290613187141815
Energy: 5.439474144714448
Energy: 5.424855141639189
Energy: 6.112169174068552
Energy: 5.424855141639189
Energy: 5.439474144707926
Energy: 5.424855141640821
Energy: 5.530733343260979
Energy: 5.276094927396304
Energy: 5.8804650020545175
Energy: 5.276094927399564
Energy: 5.530733343256089
Energy: 5.276094927397935
Energy: 5.532424890308732
Energy: 5.275518443302666
Energy: 6.058371872191363
Energy: 5.275518443305925
Energy: 5.532424890320143
Energy: 5.275518443307556
Energy: 5.6985733084957895
Energy: 5.4245437594353465
Energy: 5.979112159506496
Energy: 5.424543759433716
Energy: 5.698573308502311
Energy: 5.424543759432087
Energy: 5.419315203759304
Energy: 4.8291533359032
Energy: 5.534984213620218
Energy: 4.8291533359015695
Energy: 5.419315203762565
Energy: 4.829153335899939
Energy: 5.906165765455634
Energy: 5.272382796257397
Energy: 5.54853460158799
Energy: 5.272382796257397
Energy: 5.906165765458894
Energy: 5.2723827962557674
Energy: 5.426206562731412
Energy: 5.275166289869111
Energy: 5.759337453999112
Energy: 5.275166289870741
Energy: 5.426206562731412
Energy: 5.275166289870741
Energy: 5.610715956809878
Energy: 5.4240087521351175
Energy: 5.850027949567913
Energy: 5.424008752136747
Energy: 5.6107159568147695
Energy: 5.424008752136747

minimum gb energy = 4.746344503901551 eV
minimum distance =  1.98232270661266 Angstroms
sigma value = 33


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

Energy: 6.05210705706912
Energy: 5.608285486505921
Energy: 5.8254236831647095
Energy: 5.608285486505921
Energy: 6.05210705706912
Energy: 5.608285486505921
Energy: 5.69053629142542
Energy: 5.388643672121868
Energy: 5.7560643721554685
Energy: 5.388643672121868
Energy: 5.690540292700052
Energy: 5.388643672121868
Energy: 5.822805030979276
Energy: 5.608743306902985
Energy: 6.607438196473387
Energy: 5.608743306902985
Energy: 5.822805030970003
Energy: 5.608743306893714
Energy: 5.747769713712129
Energy: 5.122771343067672
Energy: 5.749834300072774
Energy: 5.122771343067672
Energy: 5.747815460542176
Energy: 5.122771343067672
Energy: 5.751136754237188
Energy: 5.4876020701414605
Energy: 6.517383342006929
Energy: 5.487602070132188
Energy: 5.749445616156231
Energy: 5.487602070132188
Energy: 5.690749786852068
Energy: 5.4882072125793835
Energy: 5.833430057957852
Energy: 5.4882072125793835
Energy: 5.6908072201287165
Energy: 5.4882072125793835
Energy: 5.690170352088505
Energy: 5.4875231658729255
Energy: 5.879440822478914
Energy: 5.4875231658729255
Energy: 5.690110656398221
Energy: 5.4875231658729255
Energy: 5.827271448508179
Energy: 5.487860476954847
Energy: 6.3128504152967135
Energy: 5.487860476954847
Energy: 5.827283471369374
Energy: 5.487860476954847
Energy: 5.753059925848061
Energy: 5.1235210774037
Energy: 5.696477834736873
Energy: 5.1235210774037
Energy: 5.752179194644289
Energy: 5.1235210774037
Energy: 6.095542086591989
Energy: 5.6087675743716146
Energy: 6.112799920975857
Energy: 5.6087675743716146
Energy: 6.095542086582717
Energy: 5.6087675743716146
Energy: 5.690597036223168
Energy: 5.299127156231115
Energy: 5.756134897438999
Energy: 5.299127156231115
Energy: 5.690597025768333
Energy: 5.299127156231115
Energy: 6.6069605870560855
Energy: 5.487214860306316
Energy: 6.191386647258132
Energy: 5.487214860306316
Energy: 6.6069605870560855
Energy: 5.487214860306316
Energy: 6.533999998820274
Energy: 5.21421917542556
Energy: 5.6931236187421455
Energy: 5.21421917542556
Energy: 6.533999998811001
Energy: 5.21421917542556
Energy: 5.874941190633132
Energy: 5.608001896710825
Energy: 6.033625203701577
Energy: 5.608001896710825
Energy: 5.874941190698039
Energy: 5.608001896710825
Energy: 6.470134333907143
Energy: 5.487964262657984
Energy: 5.785133697081009
Energy: 5.487964262657984
Energy: 6.470134333916415
Energy: 5.487964262657984
Energy: 6.471269621826406
Energy: 5.487314779154287
Energy: 6.194234168139036
Energy: 5.487314779154287
Energy: 6.471269621817133
Energy: 5.487314779154287
Energy: 6.536701266129447
Energy: 5.488094249623429
Energy: 6.113397060910877
Energy: 5.488094249623429
Energy: 6.536701266138719
Energy: 5.488094249623429
Energy: 6.538280202606561
Energy: 5.387860873596558
Energy: 5.785050544405506
Energy: 5.387860873596558
Energy: 6.538280202606561
Energy: 5.387860873596558
Energy: 5.9149598376722885
Energy: 5.487018399863084
Energy: 6.313230350178738
Energy: 5.487018399853979
Energy: 5.9149598376722885
Energy: 5.487018399853979
Energy: 5.749156394248509
Energy: 5.124156548354654
Energy: 5.693583722768339
Energy: 5.124156548354654
Energy: 5.749175237494761
Energy: 5.124156548354654
Energy: 6.558215758390719
Energy: 5.6083281147455315
Energy: 5.831098430686393
Energy: 5.60832811473626
Energy: 6.558215758390719
Energy: 5.60832811473626
Energy: 5.692442570961911
Energy: 5.295487246952837
Energy: 5.751509499704282
Energy: 5.295487246962109
Energy: 5.692442571221542
Energy: 5.295487246952837
Energy: 6.148472616401208
Energy: 5.486744470713716
Energy: 6.674496391534178
Energy: 5.486744470713716
Energy: 6.148472616401208
Energy: 5.486744470713716
Energy: 6.532258596691186
Energy: 5.38961456869577
Energy: 5.75772218955396
Energy: 5.389614568705043
Energy: 6.532258596691186
Energy: 5.389614568705043
Energy: 5.828076669499592
Energy: 5.487685932654912
Energy: 6.606828440296329
Energy: 5.487685932654912
Energy: 5.827686322833983
Energy: 5.487685932654912
Energy: 5.65327196213233
Energy: 5.607704935114702
Energy: 5.880425149939936
Energy: 5.607704935123974
Energy: 5.653262497318549
Energy: 5.607704935123974
Energy: 5.652967240892701
Energy: 5.60779882816593
Energy: 5.947581364531205
Energy: 5.60779882816593
Energy: 5.652948532937193
Energy: 5.60779882816593
Energy: 5.827898618968249
Energy: 5.48763547666777
Energy: 6.60681434857325
Energy: 5.48763547666777
Energy: 5.828279376401092
Energy: 5.48763547666777
Energy: 6.532255486062291
Energy: 5.389585625111693
Energy: 5.757395004131056
Energy: 5.389585625111693
Energy: 6.532255486062291
Energy: 5.389585625111693
Energy: 6.148502065890997
Energy: 5.486733312213066
Energy: 6.360085757338748
Energy: 5.486733312213066
Energy: 6.148502065890997
Energy: 5.486733312222339
Energy: 5.693132740801638
Energy: 5.295487246980653
Energy: 5.751419204409825
Energy: 5.295487246980653
Energy: 5.693132741126176
Energy: 5.295487246980653
Energy: 6.55818713208211
Energy: 5.608360500915047
Energy: 5.831156999627996
Energy: 5.608360500915047
Energy: 6.558187132072837
Energy: 5.608360500915047
Energy: 5.748341979330627
Energy: 5.124168089268944
Energy: 5.693011497967746
Energy: 5.124168089278217
Energy: 5.749152228802985
Energy: 5.124168089278217
Energy: 5.914910099030622
Energy: 5.487026170582347
Energy: 6.061585698113684
Energy: 5.487026170582347
Energy: 5.914910099030622
Energy: 5.487026170582347
Energy: 6.5382846372246615
Energy: 5.387807807705262
Energy: 5.830701590022359
Energy: 5.38780780769599
Energy: 6.5382846372246615
Energy: 5.387807807705262
Energy: 6.536811331573753
Energy: 5.488121232109166
Energy: 6.1134367080195515
Energy: 5.488121232109166
Energy: 6.536811331573753
Energy: 5.488121232109166
Energy: 6.471602369607744
Energy: 5.487370210032518
Energy: 5.971007160520621
Energy: 5.487370210041791
Energy: 6.471602369607744
Energy: 5.487370210041791
Energy: 6.470054943826753
Energy: 5.488065090725534
Energy: 5.785279729305218
Energy: 5.488065090725534
Energy: 6.470054943817481
Energy: 5.488065090725534
Energy: 5.875326541544515
Energy: 5.608738274390188
Energy: 6.03431399744517
Energy: 5.608738274390188
Energy: 5.87532654531674
Energy: 5.608738274390188
Energy: 6.534445779839786
Energy: 5.214284445087668
Energy: 5.693127839566445
Energy: 5.214284445087668
Energy: 6.534445779839786
Energy: 5.214284445087668
Energy: 6.606971303714089
Energy: 5.487188749114093
Energy: 5.970723621321709
Energy: 5.487188749114093
Energy: 6.606971303714089
Energy: 5.487188749114093

minimum gb energy = 5.122771343067672 eV
minimum distance =  1.97048302121368 Angstroms
sigma value = 51


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

Energy: 7.652144078548137
Energy: 5.622787915490827
Energy: 6.177595745522904
Energy: 5.622787915488678
Energy: 7.652144078550285
Energy: 5.622787915486529
Energy: 5.698836614870833
Energy: 5.282082784410564
Energy: 6.871256843193467
Energy: 5.282082784410564
Energy: 5.698836614868685
Energy: 5.282082784410564
Energy: 5.765398922822032
Energy: 5.623205661729896
Energy: 6.840140758619067
Energy: 5.623205661725599
Energy: 5.765303095429571
Energy: 5.623205661725599
Energy: 5.679768195888675
Energy: 5.282069374355659
Energy: 6.874191457133509
Energy: 5.282069374349215
Energy: 5.679768195905864
Energy: 5.282069374349215
Energy: 5.68150022223452
Energy: 5.2780560635551845
Energy: 6.840618640424648
Energy: 5.278056063546591
Energy: 5.679809289946889
Energy: 5.278056063544443
Energy: 6.923152548734072
Energy: 5.278449024811678
Energy: 6.869425408760168
Energy: 5.278449024815974
Energy: 6.923152545321787
Energy: 5.278449024815974
Energy: 6.926034428831942
Energy: 5.280253308076692
Energy: 6.853308970479602
Energy: 5.280253308072396
Energy: 6.9260344288254965
Energy: 5.280253308070247
Energy: 5.690810917035031
Energy: 5.27739584520039
Energy: 5.680686291035013
Energy: 5.27739584520039
Energy: 5.690810915508184
Energy: 5.27739584520039
Energy: 6.927819481830005
Energy: 5.016669926799766
Energy: 5.6960279778300915
Energy: 5.016669926797617
Energy: 6.927819481832153
Energy: 5.016669926797617
Energy: 5.695872310415328
Energy: 5.6230826353235095
Energy: 5.6823615507664345
Energy: 5.623082635321361
Energy: 5.69584467570072
Energy: 5.623082635321361
Energy: 6.923975181567331
Energy: 5.284452690831578
Energy: 6.871411839637522
Energy: 5.284452690829429
Energy: 6.923975181571628
Energy: 5.284452690829429
Energy: 7.635335616137405
Energy: 5.623322322290353
Energy: 6.870007149299865
Energy: 5.623322322290353
Energy: 7.635335616135256
Energy: 5.623322322290353
Energy: 6.299468718200988
Energy: 5.285277730162829
Energy: 6.873936590691495
Energy: 5.285277730156383
Energy: 6.299468718194542
Energy: 5.285277730156383
Energy: 5.695892626126245
Energy: 5.623560987902242
Energy: 6.859640223680362
Energy: 5.623560987895797
Energy: 5.695891772106621
Energy: 5.623560987895797
Energy: 5.684605588761097
Energy: 5.624715000515194
Energy: 6.872569291145743
Energy: 5.624715000513047
Energy: 5.6846055887503555
Energy: 5.624715000515194
Energy: 5.776550688957119
Energy: 5.281474784386654
Energy: 6.8627407009541415
Energy: 5.281474784388803
Energy: 5.776550688594133
Energy: 5.281474784388803
Energy: 6.929202049554455
Energy: 5.624139022274476
Energy: 6.8642661592791825
Energy: 5.624139022274476
Energy: 6.929203441264546
Energy: 5.6241390222766245
Energy: 6.92810577819697
Energy: 5.284260138280881
Energy: 6.8627413172421345
Energy: 5.284260138280881
Energy: 6.928105778203416
Energy: 5.284260138278733

minimum gb energy = 5.016669926797617 eV
minimum distance =  1.96784656049591 Angstroms
sigma value = 19


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

Energy: 7.844360772346286
Energy: 5.5472074455733456
Energy: 6.154922595615813
Energy: 5.5472074455733456
Energy: 7.844360772350109
Energy: 5.547207445572071
Energy: 6.314813894817881
Energy: 5.265166446100134
Energy: 6.363939210139593
Energy: 5.26516644610141
Energy: 6.314813894819156
Energy: 5.26516644610141
Energy: 6.444853524967377
Energy: 5.547765425611213
Energy: 6.370713347715675
Energy: 5.547765425611213
Energy: 6.444853525618356
Energy: 5.547765425611213
Energy: 6.438602593240936
Energy: 5.259549128543904
Energy: 6.366218587033879
Energy: 5.25954912854263
Energy: 6.438602593239661
Energy: 5.25954912854263
Energy: 6.5093574277116835
Energy: 5.551691642768623
Energy: 6.822384176516577
Energy: 5.551691642766074
Energy: 6.509360259994197
Energy: 5.551691642767348
Energy: 6.822505718422824
Energy: 5.551673056916573
Energy: 6.5093215139629175
Energy: 5.551673056916573
Energy: 6.822505718445762
Energy: 5.551673056917847
Energy: 6.366228352303843
Energy: 5.259525543520945
Energy: 6.514644486290543
Energy: 5.25952554351967
Energy: 6.366215957864192
Energy: 5.25952554351967
Energy: 6.372624865739522
Energy: 5.547773787774205
Energy: 6.444781264985505
Energy: 5.547773787771656
Energy: 6.372707357360407
Energy: 5.54777378777293
Energy: 6.364107592712851
Energy: 5.2651070338359105
Energy: 6.3637300818289235
Energy: 5.265107033839734
Energy: 6.364105779092616
Energy: 5.265107033839734
Energy: 6.614810451583214
Energy: 5.547207445568247
Energy: 7.844360772348835
Energy: 5.547207445569523
Energy: 6.614810451583214
Energy: 5.547207445568247
Energy: 6.363936151320033
Energy: 5.265166446100134
Energy: 6.314813894817881
Energy: 5.265166446100134
Energy: 6.363936908909343
Energy: 5.26516644610141
Energy: 6.370715850284464
Energy: 5.547765425608664
Energy: 6.4448535259099575
Energy: 5.5477654256099385
Energy: 6.370727048341225
Energy: 5.5477654256099385
Energy: 6.366270783450466
Energy: 5.2595491285400815
Energy: 6.51468297987794
Energy: 5.25954912854263
Energy: 6.36626244496773
Energy: 5.259549128541356
Energy: 6.8223841765204005
Energy: 5.551691642766074
Energy: 6.509358331806727
Energy: 5.551691642767348
Energy: 6.822384176521675
Energy: 5.551691642767348
Energy: 6.509328569508109
Energy: 5.551673056919123
Energy: 6.5990538264288565
Energy: 5.551673056917847
Energy: 6.509487330361837
Energy: 5.551673056917847
Energy: 6.441699103371452
Energy: 5.259525543523493
Energy: 6.366211485004488
Energy: 5.259525543523493
Energy: 6.441699103371452
Energy: 5.259525543523493
Energy: 6.444781259522106
Energy: 5.547773787770382
Energy: 6.372003833044624
Energy: 5.547773787771656
Energy: 6.444781255499454
Energy: 5.547773787771656
Energy: 6.363730081817454
Energy: 5.265107033838459
Energy: 6.364103884580974
Energy: 5.265107033838459
Energy: 6.363730081817454
Energy: 5.265107033838459
Energy: 7.844360772346286
Energy: 5.5472074455733456
Energy: 6.432331532593237
Energy: 5.547207445574618
Energy: 7.844360772348835
Energy: 5.547207445574618
Energy: 6.314813894815332
Energy: 5.26516644610141
Energy: 6.363934273160359
Energy: 5.26516644609886
Energy: 6.314813894816606
Energy: 5.265166446100134
Energy: 6.444853530196406
Energy: 5.547765425611213
Energy: 6.37071684536948
Energy: 5.5477654256099385
Energy: 6.444853527841113
Energy: 5.547765425611213
Energy: 6.514682979872842
Energy: 5.25954912854263
Energy: 6.3662073598028766
Energy: 5.259549128543904
Energy: 6.514682979879214
Energy: 5.25954912854263
Energy: 6.509357401158967
Energy: 5.551691642766074
Energy: 6.822384176539517
Energy: 5.551691642767348
Energy: 6.509353370596934
Energy: 5.551691642767348
Energy: 6.534568940879782
Energy: 5.551673056916573
Energy: 6.509326046154581
Energy: 5.551673056917847
Energy: 6.5345688029813545
Energy: 5.551673056917847
Energy: 6.366240663383487
Energy: 5.25952554351967
Energy: 6.659737791666535
Energy: 5.259525543518395
Energy: 6.3663077278048075
Energy: 5.259525543520945
Energy: 6.371988164005672
Energy: 5.54777378777293
Energy: 6.444781260584478
Energy: 5.547773787774205
Energy: 6.372620418479758
Energy: 5.547773787774205
Energy: 6.364659835948742
Energy: 5.265107033838459
Energy: 6.363730081817454
Energy: 5.2651070338359105
Energy: 6.364106678850235
Energy: 5.2651070338359105
Energy: 6.614810451585764
Energy: 5.547207445569523
Energy: 7.844360772348835
Energy: 5.547207445569523
Energy: 6.614810451576842
Energy: 5.547207445568247
Energy: 6.363936133138744
Energy: 5.265166446100134
Energy: 6.314813894810234
Energy: 5.265166446100134
Energy: 6.363941558380133
Energy: 5.26516644610141
Energy: 6.370703491179195
Energy: 5.547765425611213
Energy: 6.444853528029605
Energy: 5.5477654256099385
Energy: 6.370714442761171
Energy: 5.5477654256099385

minimum gb energy = 5.259525543518395 eV
minimum distance =  1.96947347987769 Angstroms
sigma value = 27


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

Energy: 6.504495087025642
Energy: 4.7184177045726505
Energy: 7.134166812511655
Energy: 4.718417704569529
Energy: 6.504495087025642
Energy: 4.718417704569529
Energy: 6.470684448193349
Energy: 4.718876079127143
Energy: 6.577678645668696
Energy: 4.718876079130265
Energy: 6.4706844481902275
Energy: 4.718876079130265
Energy: 6.723291445580488
Energy: 5.669181268700951
Energy: 6.590491868296961
Energy: 5.66918126869783
Energy: 6.723291445577367
Energy: 5.66918126869783
Energy: 6.428054990593452
Energy: 4.719936281708838
Energy: 6.57751027373328
Energy: 4.719936281708838
Energy: 6.428054990593452
Energy: 4.719936281708838
Energy: 6.590493874541771
Energy: 4.720170756904454
Energy: 6.475759227180881
Energy: 4.720170756907575
Energy: 6.590493874541771
Energy: 4.720170756907575
Energy: 6.573344905276926
Energy: 5.66849853738447
Energy: 6.577971325604168
Energy: 5.66849853738447
Energy: 6.573344905280047
Energy: 5.668498537381347
Energy: 6.578266655098993
Energy: 4.7100519086479915
Energy: 6.593069257420759
Energy: 4.71005190864487
Energy: 6.578266655098993
Energy: 4.71005190864487
Energy: 6.414680965736131
Energy: 4.719967154014776
Energy: 6.583741465245362
Energy: 4.719967154014776
Energy: 6.41468096573301
Energy: 4.719967154017897
Energy: 6.590110689682709
Energy: 4.72237060652734
Energy: 6.4787238531799325
Energy: 4.72237060652734
Energy: 6.590110689682709
Energy: 4.72237060652734
Energy: 6.572574942864935
Energy: 5.669719241207236
Energy: 6.572533304692174
Energy: 5.669719241207236
Energy: 6.572574942868057
Energy: 5.669719241207236
Energy: 6.574936059012066
Energy: 4.722282936175661
Energy: 6.590097580804525
Energy: 4.722282936175661
Energy: 6.574936059015188
Energy: 4.722282936175661
Energy: 6.583726278707045
Energy: 4.720134585046335
Energy: 6.414583599467183
Energy: 4.720134585043213
Energy: 6.583726278707045
Energy: 4.720134585043213

minimum gb energy = 4.71005190864487 eV
minimum distance =  1.98074434048175 Angstroms
sigma value = 9


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

Energy: 6.149929148076304
Energy: 6.012711262885365
Energy: 6.508943971744307
Energy: 6.012711262885365
Energy: 6.149911710976958
Energy: 6.012711262876595
Energy: 6.1152744804654455
Energy: 5.547736179954601
Energy: 6.16935800659265
Energy: 5.54773617994583
Energy: 6.115274480474216
Energy: 5.54773617994583
Energy: 6.154904628950839
Energy: 6.01881853634655
Energy: 6.183263563015264
Energy: 6.01881853634655
Energy: 6.154904628942068
Energy: 6.01881853635532
Energy: 6.237676310659332
Energy: 5.8530794779105415
Energy: 6.2891424340732565
Energy: 5.853079477901771
Energy: 6.237676310659332
Energy: 5.853079477901771
Energy: 6.223730221769647
Energy: 5.856774916379513
Energy: -0.2259756321010139
Energy: 5.8567749163707425
Energy: 6.223730221778417
Energy: 5.8567749163707425
Energy: 6.1819182331642715
Energy: 6.222655759784476
Energy: 6.138507115144025
Energy: 6.167879962755762
Energy: 6.181918233173042
Energy: 6.222655759775704
Energy: 6.216189959357951
Energy: 5.849150368109934
Energy: 6.136997629077077
Energy: 5.849150368109934
Energy: 6.216189959261471
Energy: 5.849150368109934
Energy: 6.134183781715483
Energy: 5.85406455487332
Energy: 6.226538017977664
Energy: 5.85406455487332
Energy: 6.134183781715483
Energy: 5.85406455487332
Energy: 6.139209253054779
Energy: 5.5203891907427804
Energy: -2.401839213979871
Energy: 5.5203891907427804
Energy: 6.139209253650882
Energy: 5.5203891907427804
Energy: 6.122854758807493
Energy: 6.0173182723936565
Energy: 6.402289303133892
Energy: 6.017318272384885
Energy: 6.122854758763637
Energy: 6.017318272384885
Energy: 6.13929669991369
Energy: 5.702592768253095
Energy: 6.181576294068421
Energy: 5.702592768253095
Energy: 6.139296699966316
Energy: 5.702592768261866
Energy: 6.168394136345276
Energy: 5.854156363350097
Energy: 6.145535630401743
Energy: 5.854156363350097
Energy: 6.168394136354047
Energy: 5.854156363350097
Energy: 6.17277407828715
Energy: 6.215602602008078
Energy: 6.268328269693901
Energy: 6.215602602008078
Energy: 6.1727740783310034
Energy: 6.215602602008078
Energy: 6.3093837574160885
Energy: 6.0188071829089695
Energy: 6.256522248623623
Energy: 6.018807182917739
Energy: 6.309382388490069
Energy: 6.018807182917739
Energy: 6.172292024646511
Energy: 5.851579985306111
Energy: 6.180587758718546
Energy: 5.851579985297339
Energy: 6.172292024646511
Energy: 5.851579985297339
Energy: 6.23980306020358
Energy: 5.697517650580719
Energy: 6.144942506786133
Energy: 5.697517650563177
Energy: 6.23980306020358
Energy: 5.697517650563177
Energy: 6.124314698816649
Energy: 6.015499119247099
Energy: 6.362111610490298
Energy: 6.015499119255869
Energy: 6.124314698816649
Energy: 6.015499119255869
Energy: 6.268545356890542
Energy: 6.280311939151544
Energy: 6.17979704729252
Energy: 6.280311939142774
Energy: 6.268545356890542
Energy: 6.280311939142774
Energy: 6.134974322964922
Energy: 6.015660877148815
Energy: 6.1721668355116295
Energy: 6.015660877157585
Energy: 6.13497432294738
Energy: 6.015660877157585
Energy: 6.324788607822478
Energy: 5.99941645515207
Energy: 6.324649850973116
Energy: 5.99941645515207
Energy: 6.32478860783125
Energy: 5.99941645515207
Energy: 6.170282800557106
Energy: 6.015644507512857
Energy: 6.134990038458594
Energy: 6.0156445075216265
Energy: 6.1707367123238335
Energy: 6.0156445075216265
Energy: 6.1798030232953245
Energy: 6.27781279158484
Energy: 6.2684635772600545
Energy: 6.27781279158484
Energy: 6.179803023304096
Energy: 6.27781279158484
Energy: 6.362049926022525
Energy: 6.015484316373695
Energy: 6.123854706351448
Energy: 6.015484316364923
Energy: 6.362049926013754
Energy: 6.015484316364923
Energy: 6.14507024991129
Energy: 5.697462902051744
Energy: 6.239897560514289
Energy: 5.6974629020429735
Energy: 6.145070249920062
Energy: 5.6974629020429735
Energy: 6.180592515281816
Energy: 5.851724911094108
Energy: 6.1722315621521116
Energy: 5.851724911102878
Energy: 6.1805925152730445
Energy: 5.851724911102878
Energy: 6.256350636409593
Energy: 6.0187634859341
Energy: 6.309321644846152
Energy: 6.0187634859341
Energy: 6.256350636400822
Energy: 6.0187634859341
Energy: 6.267762997606143
Energy: 6.215564539981487
Energy: 6.172782067083374
Energy: 6.215564539981487
Energy: 6.267762997606143
Energy: 6.215564539990257
Energy: 6.145533723715631
Energy: 5.85415175077634
Energy: 6.168241490426373
Energy: 5.85415175077634
Energy: 6.145533723733173
Energy: 5.85415175077634
Energy: 6.181569101431496
Energy: 5.702705986647219
Energy: 6.142782576721164
Energy: 5.702705986682303
Energy: 6.181569101457809
Energy: 5.702705986638448
Energy: 6.402225146183132
Energy: 6.0173094029855685
Energy: 6.1229158421820085
Energy: 6.0173094029855685
Energy: 6.402225146183132
Energy: 6.0173094029855685
Energy: 6.168231854999988
Energy: 5.520389190716469
Energy: 6.138483006117833
Energy: 5.520389190725239
Energy: 6.168231854999988
Energy: 5.520389190725239
Energy: 6.226552275174349
Energy: 5.854128930535066
Energy: 6.134202521181584
Energy: 5.854128930535066
Energy: 6.226552275209432
Energy: 5.854128930535066
Energy: 6.137011969332545
Energy: 5.849052474182923
Energy: 6.216159181583651
Energy: 5.849052474182923
Energy: 6.137011969341316
Energy: 5.849052474182923
Energy: 6.138513553843705
Energy: 6.101839139740539
Energy: 6.181943633030486
Energy: 6.101839139731768
Energy: 6.138513553861246
Energy: 6.101839139740539
Energy: 6.278051191356534
Energy: 5.85665317436605
Energy: 6.223688726455916
Energy: 5.8566531743572785
Energy: 6.2780511913651456
Energy: 5.85665317436605
Energy: 6.28923287386067
Energy: 5.853114201202501
Energy: 6.2376661220167495
Energy: 5.853114201202501
Energy: 6.289232873869441
Energy: 5.853114201202501
Energy: 6.183185627196215
Energy: 6.018781955726706
Energy: 6.155800464139357
Energy: 6.018781955726706
Energy: 6.183185627187443
Energy: 6.018781955726706
Energy: 6.1693685411730845
Energy: 5.866990810891797
Energy: 6.109959285427661
Energy: 5.866990810900568
Energy: 6.1693685411730845
Energy: 5.866990810900568
Energy: 6.361083587861493
Energy: 6.012711262876595
Energy: 6.149928851251414
Energy: 6.012711262876595
Energy: 6.361083587861493
Energy: 6.012711262885365
Energy: 6.169358006583879
Energy: 5.547736179954601
Energy: 6.115274480474216
Energy: 5.547736179954601
Energy: 6.169358006583879
Energy: 5.547736179954601
Energy: 6.1832635630326465
Energy: 6.01881853634655
Energy: 6.15490462895961
Energy: 6.01881853635532
Energy: 6.1832635630326465
Energy: 6.01881853635532
Energy: 6.289142434082027
Energy: 5.853079477919313
Energy: 6.237676310668103
Energy: 5.853079477919313
Energy: 6.289142434082027
Energy: 5.853079477919313
Energy: 6.209922385599138
Energy: 5.856774916379513
Energy: 6.223730221760875
Energy: 5.856774916379513
Energy: 6.209922385581597
Energy: 5.856774916379513

minimum gb energy = -2.401839213979871 eV
minimum distance =  1.95026687627572 Angstroms
sigma value = 57


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

Energy: 5.5522319769032755
Energy: 5.4574115526319344
Energy: 5.886699041731346
Energy: 5.457685062247723
Energy: 5.552232048548591
Energy: 5.457312880772076
Energy: 5.591393879835644
Energy: 5.675182890554603
Energy: 5.48728120652026
Energy: 5.675182890558597
Energy: 5.59139387983764
Energy: 5.6751828905566
Energy: 5.4586879349767035
Energy: 5.85981999550607
Energy: 5.584780982759755
Energy: 5.859819995504074
Energy: 5.458687934972711
Energy: 5.859819995502077
Energy: 5.592389800662123
Energy: 5.822338791981934
Energy: 5.592384395382905
Energy: 5.82233879198393
Energy: 5.591547523146983
Energy: 5.822338791981934
Energy: 5.7879841409901855
Energy: 5.466962248232081
Energy: 5.5971949911607055
Energy: 5.466393416412712
Energy: 5.7879841409901855
Energy: 5.46718907438396
Energy: 5.677344300896679
Energy: 5.854512981989991
Energy: 5.4478438011044625
Energy: 5.854512981989991
Energy: 5.6773443006772375
Energy: 5.854512981991987
Energy: 5.677380378304354
Energy: 5.85455718679754
Energy: 5.447863596644808
Energy: 5.854557186791551
Energy: 5.677380378142631
Energy: 5.854557186791551
Energy: 5.787956809496584
Energy: 5.464282439504693
Energy: 5.589231277326418
Energy: 5.463580038107792
Energy: 5.7879568094985805
Energy: 5.4639867735157726
Energy: 5.59456457654683
Energy: 5.822354639864609
Energy: 5.4929137275637565
Energy: 5.822354639860616
Energy: 5.594595005115339
Energy: 5.822354639858619
Energy: 5.458677215916444
Energy: 5.859880762571373
Energy: 5.584705736182387
Energy: 5.859880762567379
Energy: 5.458677215916444
Energy: 5.859880762569375
Energy: 5.5909687938026575
Energy: 5.675182890544621
Energy: 5.592543501983797
Energy: 5.675182890548614
Energy: 5.590968793810644
Energy: 5.675182890548614
Energy: 5.552233114807664
Energy: 5.457685652692424
Energy: 5.7147145162765565
Energy: 5.457818945757247
Energy: 5.552237877708338
Energy: 5.457885790192269
Energy: 5.591393879831651
Energy: 5.675182890558597
Energy: 5.487281206524253
Energy: 5.6751828905566
Energy: 5.591393879829654
Energy: 5.675182890554603
Energy: 5.4586879349787
Energy: 5.859819995502077
Energy: 5.584780982757758
Energy: 5.85981999550607
Energy: 5.458687934980697
Energy: 5.859819995508067
Energy: 5.591298026085281
Energy: 5.822338791981934
Energy: 5.592384395382905
Energy: 5.822338791981934
Energy: 5.592402345778458
Energy: 5.822338791981934
Energy: 5.7879841409901855
Energy: 5.4668793271804645
Energy: 5.490803229082359
Energy: 5.466870345314124
Energy: 5.787984140992182
Energy: 5.466897240613769
Energy: 5.677344300820809
Energy: 5.854512981987994
Energy: 5.44784380110646
Energy: 5.854512981989991
Energy: 5.67734430081482
Energy: 5.854512981989991
Energy: 5.677380378064766
Energy: 5.854557186789553
Energy: 5.447863596646805
Energy: 5.854557186791551
Energy: 5.6773803781625976
Energy: 5.854557186795544
Energy: 5.7879568094985805
Energy: 5.463793140379382
Energy: 5.589231277326418
Energy: 5.463538259204707
Energy: 5.787956809500577
Energy: 5.463936227917525

minimum gb energy = 5.4478438011044625 eV
minimum distance =  1.95919479130836 Angstroms
sigma value = 11


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

Energy: 4.728338820618751
Energy: 5.9810276690676885
Energy: -9.395994058411484
Energy: 5.981027669063434
Energy: 4.728338820614362
Energy: 5.981027669064764
Energy: 4.694036275857907
Energy: 5.386015367750301
Energy: 4.714582365135773
Energy: 5.3860153677532265
Energy: 4.694036275859503
Energy: 5.386015367754555
Energy: 4.864903946090998
Energy: 4.788464913794472
Energy: 4.782451265049334
Energy: 4.788464913798993
Energy: 4.864903946096849
Energy: 4.788464913798993
Energy: 4.807704643725533
Energy: 4.773765338428144
Energy: 4.71713455548548
Energy: 4.773765338433994
Energy: 4.807704643729787
Energy: 4.773765338432664
Energy: 4.678398686508421
Energy: 5.982803749348586
Energy: -3.230141128486666
Energy: 5.982803749346991
Energy: 4.6783986865100164
Energy: 5.982803749348586
Energy: 4.890683526479402
Energy: 5.895265681429937
Energy: 4.708264429174429
Energy: 5.895265681432861
Energy: 4.890683526479402
Energy: 5.895265681432861
Energy: 4.897234864600511
Energy: 4.812799768955897
Energy: 4.6877938878077
Energy: 4.8127997689545685
Energy: 4.8972348645975865
Energy: 4.812799768952972
Energy: 4.956139058373693
Energy: 5.983659414520474
Energy: 4.595387671189833
Energy: 5.98365941452792
Energy: 4.956139058373693
Energy: 5.983659414529249
Energy: 4.955396556877237
Energy: 6.003562592900635
Energy: 4.6848252522871165
Energy: 6.003562592901965
Energy: 4.955396556877237
Energy: 6.00356259289904
Energy: 4.892642354528029
Energy: 4.695984915604509
Energy: 4.7091266647469485
Energy: 4.695984915605838
Energy: 4.892642354522178
Energy: 4.695984915601585
Energy: 4.8962923706208565
Energy: 5.891399076532413
Energy: 4.690903381601638
Energy: 5.891399076532413
Energy: 4.896292370625377
Energy: 5.891399076533743
Energy: 4.678868020123992
Energy: 5.983541189921152
Energy: 4.720062977062884
Energy: 5.983541189921152
Energy: 4.6788680201269175
Energy: 5.983541189922482
Energy: 4.776794558000457
Energy: 4.768877351076708
Energy: 4.792753586876214
Energy: 4.768877351082558
Energy: 4.776794557996202
Energy: 4.768877351083888
Energy: 4.760334647500478
Energy: 4.746510862023054
Energy: 4.78809200171684
Energy: 4.74651086202598
Energy: 4.760334647500478
Energy: 4.74651086202598
Energy: 4.700379458836229
Energy: 5.384686541218478
Energy: 4.687757383279707
Energy: 5.384686541212628
Energy: 4.7003794588378245
Energy: 5.384686541212628
Energy: 4.562988751055464
Energy: 5.982739133242679
Energy: 4.956356277370759
Energy: 5.982739133238157
Energy: 4.562988751048151
Energy: 5.982739133239753
Energy: 4.769402990516244
Energy: 4.888936809856108
Energy: 4.793320280775313
Energy: 4.888936809853183
Energy: 4.769402990514648
Energy: 4.888936809854512
Energy: 4.760291541505552
Energy: 4.740248638762099
Energy: 4.786088807627324
Energy: 4.740248638762099
Energy: 4.760291541499703
Energy: 4.740248638762099
Energy: 4.794745948410555
Energy: 4.76981002538995
Energy: 4.6898424048805145
Energy: 4.769810025392875
Energy: 4.794745948417735
Energy: 4.76981002539128
Energy: 4.678671523405906
Energy: 5.993305799350487
Energy: 4.801664672355716
Energy: 5.993305799349158
Energy: 4.6786715234088305
Energy: 5.993305799352082
Energy: 4.881913447405103
Energy: 5.903389210448173
Energy: 4.717115502079511
Energy: 5.903389210442324
Energy: 4.881913447400848
Energy: 5.903389210442324
Energy: 4.892576614501949
Energy: 4.726457603020712
Energy: 4.684616182063034
Energy: 4.726457603019382
Energy: 4.892576614497694
Energy: 4.726457603026561
Energy: 4.950824020728649
Energy: 5.988697760132314
Energy: 4.6052865390427495
Energy: 5.988697760132314
Energy: 4.9508240207227985
Energy: 5.98869776013524
Energy: 4.679333871146808
Energy: 5.426277782105641
Energy: 4.687421095501568
Energy: 5.426277782106971
Energy: 4.679333871146808
Energy: 5.426277782108566
Energy: 4.8770625195087
Energy: 4.724682562886707
Energy: 4.719657440098094
Energy: 4.724682562885377
Energy: 4.877062519512953
Energy: 4.724682562883782
Energy: 4.891319868556805
Energy: 5.42284036533922
Energy: 4.6850740337014285
Energy: 5.4228403653450705
Energy: 4.891319868558401
Energy: 5.422840365342145

minimum gb energy = -9.395994058411484 eV
minimum distance =  1.96642949437725 Angstroms
sigma value = 41


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

Energy: 5.912447602084706
Energy: 5.478543910400905
Energy: 4.039465035169194
Energy: 5.478543910402058
Energy: 5.91244760208586
Energy: 5.478543910400905
Energy: 4.14042163319611
Energy: 4.188757569291834
Energy: 4.139847088703724
Energy: 4.188757569292987
Energy: 4.140421633205332
Energy: 4.1887575692964445
Energy: 4.1025547057382274
Energy: 5.353819076797426
Energy: 4.125716867788086
Energy: 5.353819076796273
Energy: 4.1025547057382274
Energy: 5.353819076796273
Energy: 4.107033207452912
Energy: 4.1116353487348105
Energy: 4.1392771782762825
Energy: 4.111635348731353
Energy: 4.10703321245699
Energy: 4.1116353487336585
Energy: 4.264780719803076
Energy: 4.221290461053474
Energy: 4.102206026549293
Energy: 4.221290461052321
Energy: 4.264780719803076
Energy: 4.221290461053474
Energy: 4.10817511573919
Energy: 5.234380712701061
Energy: 4.137285081761858
Energy: 5.234380712697603
Energy: 4.108175115723052
Energy: 5.23438071269645
Energy: 4.123082646708575
Energy: 5.357002143743337
Energy: 4.1445817297053065
Energy: 5.35700214374449
Energy: 4.123082646709728
Energy: 5.35700214374449
Energy: 4.188211901350106
Energy: 4.1506429392021476
Energy: 3.9998144829318902
Energy: 4.1506429392032995
Energy: 4.1882119013478
Energy: 4.150642939200994
Energy: 4.380358097452464
Energy: 4.114062099019904
Energy: 4.13390225179329
Energy: 4.114062099023362
Energy: 4.380358097457075
Energy: 4.114062099021055
Energy: 4.418170440134658
Energy: 5.35459951911866
Energy: 4.157551724005476
Energy: 5.354599519120966
Energy: 4.418170440133506
Energy: 5.354599519120966
Energy: 4.410886524056802
Energy: 5.356055027277776
Energy: 4.022580615145307
Energy: 5.356055027277776
Energy: 4.410886524053343
Energy: 5.356055027277776
Energy: 4.122258610658442
Energy: 4.139901255449823
Energy: 4.000713483068215
Energy: 4.139901255449823
Energy: 4.122258610652677
Energy: 4.535297963330232
Energy: 4.379012961203862
Energy: 5.304027869138496
Energy: 4.102949264751735
Energy: 5.304027869136189
Energy: 4.379012961200404
Energy: 5.304027869135037
Energy: 4.124060147585369
Energy: 5.353000669566047
Energy: 4.141443300732515
Energy: 5.3530006695672
Energy: 4.124060147587674
Energy: 5.353000669566047
Energy: 4.108641924740888
Energy: 4.105401430252279
Energy: 4.130809085192293
Energy: 4.105401430259196
Energy: 4.108641924722445
Energy: 4.105401430259196
Energy: 4.140383949997176
Energy: 4.140528818357014
Energy: 4.130795010460501
Energy: 4.140528818359319
Energy: 4.140383949998329
Energy: 4.140528818357014
Energy: 4.103178955882045
Energy: 4.182697479909706
Energy: 4.102908302159731
Energy: 4.182697479914317
Energy: 4.103178955621634
Energy: 4.182697479914317
Energy: 3.966930091743347
Energy: 5.3522346730061905
Energy: 4.123875629104184
Energy: 5.3522346730061905
Energy: 3.9669300917514163
Energy: 5.3522346730061905
Energy: 4.145638809484006
Energy: 4.7232138017942615
Energy: 4.129040338913013
Energy: 4.723213801795415
Energy: 4.145638809480548
Energy: 4.7232138017942615
Energy: 4.1686764798265585
Energy: 4.141484079700247
Energy: 4.14801263480728
Energy: 4.141484079701399
Energy: 4.168676479839239
Energy: 4.141484079699094
Energy: 4.084260280911662
Energy: 4.193061685422043
Energy: 4.102732708240502
Energy: 4.193061685418585
Energy: 4.084260280919731
Energy: 4.193061685418585
Energy: 3.9668132421514914
Energy: 5.356043349728697
Energy: 4.133701772051159
Energy: 5.356043349731004
Energy: 3.9668132421526443
Energy: 5.356043349732156
Energy: 4.414315925664822
Energy: 4.11058126143133
Energy: 4.129338425815062
Energy: 4.110581261432481
Energy: 4.414315925665975
Energy: 4.110581261432481
Energy: 4.139637979250116
Energy: 5.284045358462998
Energy: 4.1020702057156955
Energy: 5.284045358460691
Energy: 4.139637979251269
Energy: 5.284045358461844
Energy: 4.108045939886858
Energy: 5.275444011488065
Energy: 4.1503087305983914
Energy: 5.275444011491523
Energy: 4.1080459398810945
Energy: 5.275444011490369
Energy: 4.12377482406993
Energy: 4.111717206889406
Energy: 4.138954847768598
Energy: 4.111717206890558
Energy: 4.123774824072235
Energy: 4.111717206889406
Energy: 4.177387232451848
Energy: 5.347705137375424
Energy: 3.9832486117670713
Energy: 5.347705137371965
Energy: 4.1773872324507995
Energy: 5.347705137371965
Energy: 4.121234490523702
Energy: 5.30451696088968
Energy: 4.138688406240029
Energy: 5.304516960887375
Energy: 4.1212344905271605
Energy: 5.304516960886222
Energy: 4.424584933690137
Energy: 5.346572880184446
Energy: 3.9663227675329162
Energy: 5.346572880184446
Energy: 4.424584933638263
Energy: 5.3465728801856
Energy: 4.124727993187589
Energy: 4.108340961194329
Energy: 4.060152098215942
Energy: 4.108340961194329
Energy: 4.124727993185283
Energy: 4.108340961194329
Energy: 4.103202445959852
Energy: 5.348393895544417
Energy: 3.9837802329124274
Energy: 5.348393895543263
Energy: 4.103202445957547
Energy: 5.348393895543263
Energy: 4.118325527299531
Energy: 5.30810076345012
Energy: 4.103055405139842
Energy: 5.308100763448968
Energy: 4.11832552729492
Energy: 5.308100763447814
Energy: 4.13598994456483
Energy: 5.347394187381195
Energy: 4.150912601535242
Energy: 5.347394187381195
Energy: 4.135989944568288
Energy: 5.347394187382347

minimum gb energy = 3.9663227675329162 eV
minimum distance =  1.96813532175787 Angstroms
sigma value = 33


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

Energy: 3.5541383565911886
Energy: 4.494850473550793
Energy: 3.2417760613395092
Energy: 4.494850473550793
Energy: 3.5541509678915726
Energy: 4.494850473542851
Energy: 4.08271593530839
Energy: 3.234231139339785
Energy: 3.4574993014152446
Energy: 3.234231139331695
Energy: 4.0827131373057695
Energy: 3.234231139331695
Energy: 4.623302459414515
Energy: 4.523586079620032
Energy: 3.2593976128656266
Energy: 4.523586079620032
Energy: 4.623302459414515
Energy: 4.523586079620032
Energy: 3.34197451121484
Energy: 3.2436128569462985
Energy: 3.4552707909109075
Energy: 3.2436128569301186
Energy: 3.3419063824362456
Energy: 3.2436128569301186
Energy: 3.38757696866059
Energy: 4.487318086396902
Energy: 3.2194559629793216
Energy: 4.487318086396902
Energy: 3.38757696866868
Energy: 4.487318086396902
Energy: 3.288027195297053
Energy: 3.237409728100736
Energy: 3.4594668136356646
Energy: 3.237409728108826
Energy: 3.2880314302014995
Energy: 3.237409728108826
Energy: 3.4430212203907615
Energy: 4.456146751069623
Energy: 3.2954612300952886
Energy: 4.456146751069623
Energy: 3.4430212203988515
Energy: 4.456146751069623
Energy: 3.260779005984827
Energy: 3.2895057213736005
Energy: 3.380701717355485
Energy: 3.2895057213736005
Energy: 3.260793972528291
Energy: 3.2895057213736005
Energy: 3.3621045639047833
Energy: 4.5136142449555905
Energy: 3.5163338107343103
Energy: 4.5136142449555905
Energy: 3.3621045639047833
Energy: 4.5136142449555905
Energy: 3.2130040003151246
Energy: 4.5019987807106405
Energy: 4.527686342853917
Energy: 4.5019987807106405
Energy: 3.213066108806484
Energy: 4.5019987807106405
Energy: 3.4490881712037407
Energy: 4.456809609078762
Energy: 3.9555182569268137
Energy: 4.456809609070673
Energy: 3.4490881711956507
Energy: 4.456809609070673
Energy: 3.6477650741084067
Energy: 4.5064803885036175
Energy: 3.448034060013655
Energy: 4.506480388511707
Energy: 3.6477650741326766
Energy: 4.506480388511707
Energy: 3.5011125866839765
Energy: 4.482218855448802
Energy: 3.366249230922805
Energy: 4.482218855448802
Energy: 3.501112586708246
Energy: 4.482218855448802
Energy: 3.4397880444318263
Energy: 4.53945819015421
Energy: 3.469548262103589
Energy: 4.53945819015421
Energy: 3.4397628676241836
Energy: 4.53945819015421
Energy: 3.442395328350318
Energy: 4.456143072909485
Energy: 3.453392981134805
Energy: 4.456143072909485
Energy: 3.442395328358408
Energy: 4.456143072909485
Energy: 3.5160298884176484
Energy: 4.506845916681023
Energy: 3.4537292713755043
Energy: 4.506845916672932
Energy: 3.5160352715984415
Energy: 4.506845916672932
Energy: 3.494919866533143
Energy: 4.485469918905467
Energy: 3.4056920171087155
Energy: 4.485469918897379
Energy: 3.494919866549323
Energy: 4.485469918905467
Energy: 3.4494316337114452
Energy: 4.539078455945642
Energy: 3.3612900261296588
Energy: 4.539078455945642
Energy: 3.4494316337033557
Energy: 4.539078455945642
Energy: 3.220575014619032
Energy: 4.488125222143053
Energy: 3.362506366297844
Energy: 4.488125222143053
Energy: 3.220558973110025
Energy: 4.488125222143053
Energy: 3.3672165936025453
Energy: 4.505847773215405
Energy: 3.380714013151081
Energy: 4.505847773215405
Energy: 3.3672165936025453
Energy: 4.505847773215405
Energy: 3.2951128894471764
Energy: 4.442892148071944
Energy: 3.294023841957225
Energy: 4.442892148063854
Energy: 3.294154242288111
Energy: 4.442892148071944
Energy: 3.3981044240686704
Energy: 4.539138628324834
Energy: 3.28981831191382
Energy: 4.539138628332925
Energy: 3.3981044240686704
Energy: 4.539138628332925
Energy: 3.2911062670672804
Energy: 4.458849927231069
Energy: 3.4520394915497556
Energy: 4.458849927231069
Energy: 3.29112915978337
Energy: 4.458849927231069
Energy: 3.3567101730094824
Energy: 4.507579419290484
Energy: 3.292221738431922
Energy: 4.507579419298573
Energy: 3.3567101730094824
Energy: 4.507579419298573
Energy: 3.367449786671001
Energy: 4.446839224691154
Energy: -5.073480090519565
Energy: 4.446839224691154
Energy: 3.3676173610737474
Energy: 4.446839224691154
Energy: 3.4465908738493414
Energy: 4.538694134389215
Energy: 3.2556002431962194
Energy: 4.538694134389215
Energy: 3.446590679195024
Energy: 4.538694134381126
Energy: 3.3776817890426725
Energy: 3.233085923264159
Energy: 3.4497358182356974
Energy: 3.233085923264159
Energy: 3.3777326181183214
Energy: 3.233085923264159
Energy: 4.581720386326483
Energy: 4.506474204912752
Energy: 3.9552417653380245
Energy: 4.506474204920842
Energy: 4.581720386326483
Energy: 4.506474204920842
Energy: 3.7981043811487534
Energy: 4.449759349405981
Energy: 3.5155335293845855
Energy: 4.449759349414071
Energy: 3.7981044588422392
Energy: 4.449759349405981
Energy: 3.444830982112097
Energy: 4.538357654984908
Energy: 3.1590478025665205
Energy: 4.538357654984908
Energy: 3.4448975403701314
Energy: 4.538357654992998
Energy: 3.7021182674553494
Energy: 3.2347542979839163
Energy: 3.4473416206882117
Energy: 3.234754297975827
Energy: 3.7021182673420903
Energy: 3.234754297975827
Energy: 3.3565886861851686
Energy: 4.500444624264194
Energy: 3.206523544110204
Energy: 4.500444624264194
Energy: 3.356588686193259
Energy: 4.500444624264194
Energy: 3.5149927528773106
Energy: 4.447355080194241
Energy: 3.366454101306927
Energy: 4.447355080194241
Energy: 3.515014828897416
Energy: 4.447355080194241
Energy: 3.4019807522024097
Energy: 3.3684696698899392
Energy: 3.2021222210588807
Energy: 3.3684696698978818
Energy: 3.4019807522104997
Energy: 3.3684696698899392
Energy: 3.201711825766428
Energy: 3.3708574224069245
Energy: 3.4019621347739344
Energy: 3.3708574223988346
Energy: 3.2017102027250104
Energy: 3.3708574223907446
Energy: 3.366467883395728
Energy: 4.4479318760359705
Energy: 3.5140864913575585
Energy: 4.4479318760359705
Energy: 3.366467883395728
Energy: 4.4479318760359705
Energy: 3.2063667768405293
Energy: 4.50050303205878
Energy: 3.356348459530238
Energy: 4.50050303205069
Energy: 3.206344639922222
Energy: 4.50050303205069
Energy: 3.4476977304400074
Energy: 3.2347501317728344
Energy: 3.7025421495236923
Energy: 3.234750131780925
Energy: 3.447697730431918
Energy: 3.234750131780925
Energy: 3.159047797755219
Energy: 4.538378833963223
Energy: 3.4449261800067625
Energy: 4.538378833963223
Energy: 3.159047808469522
Energy: 4.538378833963223
Energy: 3.418913611803024
Energy: 4.448820356238623
Energy: 3.798122732326291
Energy: 4.448820356238623
Energy: 3.4189136122801833
Energy: 4.448820356238623
Energy: 3.9524069519822547
Energy: 4.506489671313309
Energy: 4.583901194556247
Energy: 4.506489671313309
Energy: 3.9524069519741647
Energy: 4.506489671313309
Energy: 3.4498896116329587
Energy: 3.2327500499633257
Energy: 3.3773262038678555
Energy: 3.2327500499552357
Energy: 3.4498896116329587
Energy: 3.2327500499552357
Energy: 3.2556884835644655
Energy: 4.538959671195465
Energy: 3.444414626921093
Energy: 4.538959671195465
Energy: 3.2556884835563755
Energy: 4.538959671195465
Energy: 3.3879978117909744
Energy: 4.446771427048124
Energy: 3.369378115615167
Energy: 4.446771427048124
Energy: 3.3879925149641577
Energy: 4.446771427056214
Energy: 3.290982621481499
Energy: 4.507568460110111
Energy: 3.3567500167860502
Energy: 4.507568460110111
Energy: 3.2909826214895888
Energy: 4.507568460118201
Energy: 3.4517901943354907
Energy: 4.4588499272634285
Energy: 3.2912514522335545
Energy: 4.458849927271518
Energy: 3.4517901943435807
Energy: 4.458849927271518
Energy: 3.290441437738009
Energy: 4.539180761958281
Energy: 3.3979653732232316
Energy: 4.539180761950191
Energy: 3.2904414377460993
Energy: 4.539180761950191

minimum gb energy = -5.073480090519565 eV
minimum distance =  1.98416873465412 Angstroms
sigma value = 67


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

Energy: 0.9100366001610966
Energy: 0.9072482695156026
Energy: -2.916413207693293
Energy: 0.9072482695156026
Energy: 0.9100366001610966
Energy: 0.9072482695156026
Energy: -1.1699142477306892
Energy: -3.064795185759636
Energy: 1.2741264059487738
Energy: -3.064795185765042
Energy: -1.1695426956894293
Energy: -3.064795185754229
Energy: 0.9100366001610966
Energy: 0.9072482695156026
Energy: -2.9151472385776103
Energy: 0.9072482695156026
Energy: 0.910036600150283
Energy: 0.9072482695156026
Energy: -1.1686950714645374
Energy: -3.064795185754229
Energy: 1.2751028025010231
Energy: -3.064795185765042
Energy: -1.1702066621081553
Energy: -3.064795185759636
Energy: 0.9100366001610966
Energy: 0.9072482695156026
Energy: -0.3441642955991172
Energy: 0.9072482695156026
Energy: 0.9100366001556898
Energy: 0.9072482695156026
Energy: -1.1670122705419306
Energy: -3.0647951857704494
Energy: 1.274608882517561
Energy: -3.064795185759636
Energy: -1.1689781103759438
Energy: -3.0647951857488223
Energy: 0.9100366001610966
Energy: 0.9072482695156026
Energy: -3.609973909811236
Energy: 0.9072482695156026
Energy: 0.9100366001556898
Energy: 0.9072482695156026

minimum gb energy = -3.609973909811236 eV
minimum distance =  2.09093684179711 Angstroms
sigma value = 3


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

Energy: 3.611865799815397
Energy: 4.205332714909828
Energy: 3.672842454532849
Energy: 4.205332714917184
Energy: 3.611865799793324
Energy: 4.205332714917184
Energy: -8.57852406723913
Energy: 3.852409000409318
Energy: 3.1659782360261723
Energy: 3.852409000424033
Energy: -8.579881207107642
Energy: 3.852409000424033
Energy: 3.5604816562034904
Energy: 4.182108145284683
Energy: 3.95081160391969
Energy: 4.182108145284683
Energy: 3.5604816553798333
Energy: 4.182108145284683
Energy: -4.277847852007432
Energy: 4.046347780445923
Energy: 3.145422477714481
Energy: 4.0463477804531465
Energy: -5.317727691150398
Energy: 4.0463477804531465
Energy: 3.5132930393778268
Energy: 4.012144589807746
Energy: 3.485517893324192
Energy: 4.012144589807746
Energy: 3.51331950180701
Energy: 4.012144589815104
Energy: -1.9674086454674309
Energy: 4.035304572289569
Energy: 3.4748456705384125
Energy: 4.035304572274854
Energy: -1.9970314215129898
Energy: 4.035304572274854
Energy: 3.4854585667036173
Energy: 4.013145510779657
Energy: 3.5181688786948113
Energy: 4.013145510779657
Energy: 3.48545856669626
Energy: 4.013145510779657
Energy: 3.5907825412306242
Energy: 4.188039694377505
Energy: 3.4800281494743452
Energy: 4.162056628015122
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Energy: 4.18803969436279
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Energy: 3.551018635511373
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Energy: 4.149416338961017

minimum gb energy = -8.579881207107642 eV
minimum distance =  1.9823757269224 Angstroms
sigma value = 81


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

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Energy: 4.753084127532337

minimum gb energy = -4.869932311892354 eV
minimum distance =  1.96852174691947 Angstroms
sigma value = 43


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

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Energy: -1.7315751742232393
Energy: 5.529916745022484
Energy: 3.84669703842747
Energy: 5.311767506290641
Energy: -1.1456419132905167
Energy: 5.311767506289401
Energy: 3.8466970384287107
Energy: 5.311767506288161
Energy: 3.8745364362960326
Energy: 5.432114317346474
Energy: 3.8039944125235645
Energy: 5.432114317347715
Energy: 3.874536436293552
Energy: 5.432114317348955
Energy: 0.8733514064666436
Energy: 5.241479229160923
Energy: 3.8093417013186324
Energy: 5.2414792291572025
Energy: 0.873351406436874
Energy: 5.241479229158442
Energy: 1.0070546297052867
Energy: 5.3016935883258745
Energy: 4.5516926305803835
Energy: 5.3016935883258745
Energy: 1.0070546297077676
Energy: 5.3016935883246346
Energy: 3.7803450918794343
Energy: 3.8377366440151874
Energy: -1.2614524973315935
Energy: 3.8377366440201492
Energy: 3.7803450918794343
Energy: 3.8377366440201492
Energy: 3.975157496826355
Energy: 5.353326340574852
Energy: 4.466978956836268
Energy: 5.353326340578573
Energy: 3.975157496825115
Energy: 5.353326340578573

minimum gb energy = -3.6930461965439028 eV
minimum distance =  1.98158785340349 Angstroms
sigma value = 57


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

Energy: 4.315721001988725
Energy: 6.099149218777577
Energy: -1.9343530664485205
Energy: 6.099149218777577
Energy: 4.315721001991937
Energy: 6.099149218777577
Energy: 4.245291574609601
Energy: 4.885918850876321
Energy: 4.228755417276928
Energy: 4.885918850871503
Energy: 4.2452915746128115
Energy: 4.885918850869896
Energy: 4.2270340744680555
Energy: 6.152406674101926
Energy: 4.388479363741424
Energy: 6.1524066741003205
Energy: 4.22703407446645
Energy: 6.1524066740987156
Energy: 4.277949205290763
Energy: 4.378701347494161
Energy: 4.228740358620456
Energy: 4.3787013475054035
Energy: 4.277949205297187
Energy: 4.378701347492555
Energy: 4.229858922747495
Energy: 4.380694964972973
Energy: 4.27809487036936
Energy: 4.380694964974579
Energy: 4.229858922747495
Energy: 4.380694964981004
Energy: 4.388356748411921
Energy: 6.108786122151353
Energy: 4.229206375639123
Energy: 6.108786122152958
Energy: 4.3883567484071015
Energy: 6.108786122156172
Energy: 4.378481204230429
Energy: 5.369666709016019
Energy: 4.240700349669926
Energy: 5.3696667090192305
Energy: 4.378481204232034
Energy: 5.369666709020838
Energy: 4.384855130547909
Energy: 6.061526767986485
Energy: 4.322772068638982
Energy: 6.0615267679896965
Energy: 4.384855130546303
Energy: 6.0615267679896965
Energy: 4.230482365386783
Energy: 4.880864329101634
Energy: 4.273775569379532
Energy: 4.880864329096815
Energy: 4.230482365386783
Energy: 4.880864329093603
Energy: 4.3827452402973215
Energy: 6.103854612936014
Energy: 4.230338418421333
Energy: 6.103854612936014
Energy: 4.382745240298926
Energy: 6.103854612934407
Energy: 4.378953453064613
Energy: 4.377795998300308
Energy: 4.3848765064445585
Energy: 4.3777959982970955
Energy: 4.378953453064613
Energy: 4.377795998293884
Energy: 4.2445126311331
Energy: 5.249520792615654
Energy: 4.232767883361807
Energy: 5.249520792612442
Energy: 4.2445126311331
Energy: 5.249520792615654
Energy: 4.232718344297044
Energy: 6.0972697678255035
Energy: 4.592672444415952
Energy: 6.097269767823898
Energy: 4.232718344295439
Energy: 6.097269767823898
Energy: 4.216371081273172
Energy: 6.153621166676042
Energy: 4.381671590018101
Energy: 6.1536211666712255
Energy: 4.216371081274778
Energy: 6.1536211666712255
Energy: 4.205946690065996
Energy: 6.059286340416927
Energy: 4.383458467288451
Energy: 6.059286340413714
Energy: 4.205946566354388
Energy: 6.059286340413714
Energy: 4.240147814167544
Energy: 6.221548602744018
Energy: 4.235946233988057
Energy: 6.221548602742412
Energy: 4.240147814178787
Energy: 6.221548602744018
Energy: 4.2362110631425365
Energy: 6.058657578580592
Energy: 4.379616863398645
Energy: 6.058657578580592
Energy: 4.236211063145749
Energy: 6.058657578578985
Energy: 4.381185043385606
Energy: 5.534928188011857
Energy: 4.381164433145832
Energy: 5.534928188015068
Energy: 4.381185043384
Energy: 5.534928188013462
Energy: 4.379573291935859
Energy: 6.058642124063648
Energy: 4.236260162914551
Energy: 6.0586421240604365
Energy: 4.3795732919342525
Energy: 6.058642124058829
Energy: 4.23584894102158
Energy: 6.22288423538296
Energy: 4.240209574048745
Energy: 6.222884235384566
Energy: 4.235848941016761
Energy: 6.222884235384566
Energy: 4.3835732873102575
Energy: 6.059276886708109
Energy: 4.209184368885567
Energy: 6.0592768867065026
Energy: 4.383573287311864
Energy: 6.059276886708109
Energy: 4.381576320099001
Energy: 5.358241767628951
Energy: 4.217088902763148
Energy: 5.358241767630557
Energy: 4.381576320100608
Energy: 5.358241767632164
Energy: 4.9057142009931125
Energy: 6.097132271965402
Energy: 4.232844714610594
Energy: 6.09713227196701
Energy: 4.9057142009931125
Energy: 6.097132271968615
Energy: 4.232821899742527
Energy: 5.249318798791182
Energy: 4.244036007290803
Energy: 5.249318798789576
Energy: 4.232821899745739
Energy: 5.249318798794393

minimum gb energy = -1.9343530664485205 eV
minimum distance =  1.97167989000413 Angstroms
sigma value = 17


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

Energy: 4.8315699562277725
Energy: 4.790129148388684
Energy: 8.140051211405861
Energy: 4.790129148388684
Energy: 4.8315699562277725
Energy: 4.790129148381871
Energy: 4.769863481875801
Energy: 4.838112841743838
Energy: 4.8415867746581425
Energy: 4.838112841741566
Energy: 4.769863481875801
Energy: 4.838112841741566
Energy: 4.841075793087686
Energy: 4.837006841605112
Energy: 6.1066889622754355
Energy: 4.837006841605112
Energy: 4.841075793087686
Energy: 4.837006841605112
Energy: 4.861628050615814
Energy: 4.837250819382322
Energy: 4.841645447553115
Energy: 4.837250819382322
Energy: 4.861628050613542
Energy: 4.837250819384593
Energy: 4.843326954768001
Energy: 4.839131495460128
Energy: 4.8565848771306595
Energy: 4.839131495462398
Energy: 4.843326954770272
Energy: 4.839131495460128
Energy: 4.860121902977613
Energy: 4.790506246161294
Energy: 4.836261191424847
Energy: 4.790506246161294
Energy: 4.860121902977613
Energy: 4.790506246156751
Energy: 4.841260265559425
Energy: 5.735218479680313
Energy: 4.767436092546868
Energy: 5.735218479678041
Energy: 4.841260265559425
Energy: 5.735218479678041
Energy: 4.855295641324617
Energy: 6.187996742748596
Energy: 4.842394772809172
Energy: 6.187996742748596
Energy: 4.855295641320074
Energy: 6.187996742748596
Energy: 4.8433289668375545
Energy: 4.83917407494802
Energy: 0.9735506176397524
Energy: 4.839174074950292
Energy: 4.843328966835284
Energy: 4.839174074950292
Energy: 4.801222775201475
Energy: 4.7168442685233245
Energy: 4.842552521195154
Energy: 4.716844268518782
Energy: 4.801222775203745
Energy: 4.716844268521053
Energy: 4.841963260900074
Energy: 7.110183718919434
Energy: 4.852441534408092
Energy: 7.110183718919434
Energy: 4.841963260902346
Energy: 7.110183718917163
Energy: 4.850631151860661
Energy: 4.841169699291042
Energy: 4.84330035529341
Energy: 4.841169699288772
Energy: 4.850631151860661
Energy: 4.841169699284228
Energy: 4.843819789592678
Energy: 6.181605790327151
Energy: 4.8490608945597335
Energy: 6.181605790327151
Energy: 4.843819789592678
Energy: 6.181605790327151
Energy: 4.849920874731901
Energy: 4.8410569660789795
Energy: 4.844118269476976
Energy: 4.8410569660789795
Energy: 4.849920874731901
Energy: 4.8410569660812515
Energy: 4.843419670480723
Energy: 6.167765281721653
Energy: 4.827235467983485
Energy: 6.167765281714841
Energy: 4.843419670482994
Energy: 6.167765281717111
Energy: 4.847250186033766
Energy: 6.163326730823182
Energy: 4.846437528159466
Energy: 6.163326730827725
Energy: 4.847250186033766
Energy: 6.16332673081864
Energy: 4.847064122564068
Energy: 4.841312854540474
Energy: 4.846137998778727
Energy: 4.841312854540474
Energy: 4.847064122564068
Energy: 4.841312854540474

minimum gb energy = 0.9735506176397524 eV
minimum distance =  1.99381780764129 Angstroms
sigma value = 17


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

Energy: 7.304980423086345
Energy: 4.518953215375035
Energy: 7.782777177018085
Energy: 4.518953215366264
Energy: 7.304980423086345
Energy: 4.518953215357493
Energy: 5.806901821232685
Energy: 4.564454512703329
Energy: 4.488289127979081
Energy: 4.564454512694559
Energy: 5.806901821232685
Energy: 4.564454512703329
Energy: 4.514234030125331
Energy: 5.197765812842714
Energy: 4.504480518380338
Energy: 5.197765812842714
Energy: 4.514234030125331
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Energy: 4.572920321070542
Energy: 4.4925783220955955
Energy: 5.238352355442583
Energy: 4.492578322104366
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Energy: 4.4925783220955955
Energy: 4.490096008957174
Energy: 4.742462543139057
Energy: 6.145360801323152
Energy: 4.742462543139057
Energy: 4.490096008957174
Energy: 4.7424625431302845
Energy: 5.292818878524383
Energy: 4.516995689059
Energy: 5.323466842937259
Energy: 4.516995689067771
Energy: 5.292818878515611
Energy: 4.516995689059
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Energy: 5.281411212311486
Energy: 5.900452037001685
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Energy: 4.489403619604177
Energy: 5.281411212311486
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Energy: 4.491785565920368
Energy: 5.361877352590097
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Energy: 4.572942299283515
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Energy: 5.361877352590097
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Energy: 4.494595553426932
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Energy: 4.494595553426932
Energy: 5.228163328392264
Energy: 5.0851915816311735
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Energy: 5.623772209296894
Energy: 4.570609838331042
Energy: 5.6237722092881235
Energy: 5.219273291864999
Energy: 5.623772209296894
Energy: 7.198595057808446
Energy: 5.2091305977640925
Energy: 4.5684465006274735
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Energy: 5.209130597772864
Energy: -2.023257678781644
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Energy: 4.498195392297588
Energy: 4.521149455154118
Energy: -2.023231000885722
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Energy: 4.498449151532972
Energy: -2.0352800831227396
Energy: 4.498444506144202
Energy: 6.171161871713481
Energy: 4.498449151532972
Energy: -2.0352800831227396
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Energy: 4.520445788829471
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Energy: 4.5204457888207
Energy: 4.498166974420454
Energy: 4.520445788838241
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Energy: 5.282110872354233
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Energy: 5.900449110904185
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Energy: 4.514236000635458
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Energy: 4.503772671248902
Energy: 5.197672702604056
Energy: 4.488282693689097
Energy: 4.564464881946649
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Energy: 4.488282693689097
Energy: 4.56446488195542
Energy: 4.6535995007266076
Energy: 4.518953215366264
Energy: 7.304980423077575
Energy: 4.518953215366264
Energy: 4.653599500735378
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Energy: 4.488289127979081
Energy: 4.564454512694559
Energy: 5.806901821232685
Energy: 4.564454512712101
Energy: 4.488289127979081
Energy: 4.564454512703329
Energy: 4.504480518336483
Energy: 5.197765812842714
Energy: 4.514234030125331
Energy: 5.197765812842714
Energy: 4.50448051840665
Energy: 5.197765812842714
Energy: 5.2383523554601235
Energy: 4.4925783220955955
Energy: 4.57292032106177
Energy: 4.4925783220955955
Energy: 5.2383523554601235
Energy: 4.4925783220955955
Energy: 6.145360801314381
Energy: 4.7424625431302845
Energy: 4.490096008957174
Energy: 4.742462543139057
Energy: 6.145360801323152
Energy: 4.742462543139057

minimum gb energy = -2.0352800831227396 eV
minimum distance =  2.00417947012555 Angstroms
sigma value = 57


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

Energy: -0.989618580426895
Energy: -0.26091738964393313
Energy: -0.04941969615505464
Energy: -0.26091738964808764
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Energy: -1.6649348871830798
Energy: -3.7750301255132572
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Energy: -0.21173501353473517
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Energy: -2.927984123545079
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Energy: -2.9491597929961344
Energy: -0.23539798102607878
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Energy: -2.9491597929989903
Energy: -2.2071189269260656
Energy: -1.083389327572833
Energy: -0.20361936590120155
Energy: -1.0833893275712747
Energy: -2.210858366441229
Energy: -1.083389327572833
Energy: -2.3027120378174017
Energy: -0.07730850066182307
Energy: -3.7799913238794547
Energy: -0.07730850036633323
Energy: -2.3125555571789413
Energy: -0.07730850015081779
Energy: -4.006217946381182
Energy: -1.115562225204088
Energy: -3.7634599973467093
Energy: -1.1155622252027897
Energy: -4.036745140516135
Energy: -1.1155622252126567
Energy: -4.034312284908819
Energy: -1.9450093631160807
Energy: -3.781985352889254
Energy: -1.945009363118937
Energy: -4.034311586317121
Energy: -1.9450093631119263
Energy: -2.4276018741132392
Energy: -3.6205329386737644
Energy: -3.7865495273972565
Energy: -3.620532938500833
Energy: -2.4276764725982223
Energy: -3.6205329385579574
Energy: -2.3230033318917536
Energy: -1.1279675354062886
Energy: -0.16045370506046633
Energy: -1.1279675354034324
Energy: -2.3163613802129333
Energy: -1.1279675354018743

minimum gb energy = -4.666125097364373 eV
minimum distance =  1.99506814171283 Angstroms
sigma value = 43


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

Energy: 5.776403648463838
Energy: 4.913383537315213
Energy: -0.3002586616260109
Energy: 4.913383537321457
Energy: 5.776403648458636
Energy: 4.913383537324578
Energy: 4.856239202166174
Energy: 4.872835147690482
Energy: 4.80816749316503
Energy: 4.872835147693603
Energy: 4.856239202171378
Energy: 4.872835147692563
Energy: 4.806264873383003
Energy: 5.5446635880727655
Energy: 4.8174539147044335
Energy: 5.544663588074848
Energy: 4.806264873385084
Energy: 5.544663588073807
Energy: 5.22624972418636
Energy: 4.809848840309599
Energy: 5.546684379456182
Energy: 4.809848840307518
Energy: 5.226249724189482
Energy: 4.809848840308559
Energy: 4.810345148338708
Energy: 5.122565024105093
Energy: 5.156509970997849
Energy: 5.122565024103011
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Energy: 5.122565024102065
Energy: 5.475371647009431
Energy: 5.462556664515929
Energy: 4.914387583118844
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Energy: 5.475371647013593
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Energy: 4.916627646351733
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Energy: 4.916627646353815
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Energy: 5.123007482358579
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Energy: 5.123007482356497
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Energy: 5.5493576883822975
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Energy: 5.555065944505616
Energy: 4.810992580245914
Energy: 5.549357688381257
Energy: 4.810992580245914
Energy: 5.857268738705227
Energy: 5.543945859879831
Energy: 4.8129121045497305
Energy: 5.543945859881911
Energy: 5.857268738708348
Energy: 5.543945859881911
Energy: 4.81197639643687
Energy: 5.1506772021272225
Energy: 5.238894464209319
Energy: 5.1506772021241005
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Energy: 4.915501628111526
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Energy: 5.552196685884082
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Energy: 5.5573408857001905
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Energy: 4.874506730239953
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Energy: 5.289961530430437
Energy: 5.552668216378191
Energy: 5.289961530434599
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Energy: 4.8191817807549695
Energy: 5.546783092741952
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Energy: 5.546783092739871
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Energy: 5.566380815839583
Energy: 4.842048034399249
Energy: 5.572569905940971
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Energy: 4.875956427663177
Energy: 4.81327920522614
Energy: 5.572569905922241
Energy: 4.8132792052251
Energy: 4.814469798963058
Energy: 6.511143862383559
Energy: 4.883867834614331
Energy: 6.511143862387721
Energy: 4.814469798963058
Energy: 6.511143862385641
Energy: 4.82188028933241
Energy: 5.286058962222913
Energy: 5.559889451020637
Energy: 5.286058962221871
Energy: 4.82188028933241
Energy: 5.28605896221979
Energy: 4.875269874623288
Energy: 6.058248942320343
Energy: 5.558392431932537
Energy: 6.058248942318262
Energy: 4.875269874626411
Energy: 6.058248942318262
Energy: 4.8854992180960615
Energy: 5.5476138987800105
Energy: 5.465635316915685
Energy: 5.5476138987758485
Energy: 4.8854992180960615
Energy: 5.5476138987758485
Energy: 5.464875570798237
Energy: 5.170352527827036
Energy: 5.464910324720969
Energy: 5.170352527836401
Energy: 5.464875570795114
Energy: 5.170352527829118
Energy: 5.465689254329677
Energy: 5.548093342676266
Energy: 4.8342350909663265
Energy: 5.548093342666902
Energy: 5.465689254324475
Energy: 5.548093342674185
Energy: 5.5589198052867355
Energy: 6.058236140900852
Energy: 4.875318277803119
Energy: 6.058236140903973
Energy: 5.5589198052888165
Energy: 6.058236140899812
Energy: 5.5598427631118525
Energy: 5.285939709568943
Energy: 4.8218932194447675
Energy: 5.285939709572063
Energy: 5.5598427631118525
Energy: 5.285939709577266
Energy: 4.883963943657114
Energy: 6.511097544217051
Energy: 4.814474651555173
Energy: 6.511097544219132
Energy: 4.883963943657114
Energy: 6.511097544219132
Energy: 4.875938811258317
Energy: 4.81326570759018
Energy: 5.6619837424146064
Energy: 4.813265707591221
Energy: 4.875938811255196
Energy: 4.813265707592262
Energy: 4.817714284668568
Energy: 4.842116909868744
Energy: 5.566108593197937
Energy: 4.842116909863541
Energy: 4.81771428467065
Energy: 4.842116909869783
Energy: 4.876812068618259
Energy: 5.546778555904111
Energy: 4.819200661687203
Energy: 5.54677855590203
Energy: 4.876812068618259
Energy: 5.54677855590203
Energy: 5.55264370859269
Energy: 5.290853015984129
Energy: 4.814525740565584
Energy: 5.290853015976845
Energy: 5.552643708590609
Energy: 5.290853015977886

minimum gb energy = -0.3002586616260109 eV
minimum distance =  1.99766210344508 Angstroms
sigma value = 81


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

Energy: 5.363636577353001
Energy: 5.366622209138819
Energy: 11.18270838325372
Energy: 5.366622212730932
Energy: 5.363636577353001
Energy: 5.366622206933816
Energy: 5.365175098502137
Energy: 5.365650277583839
Energy: 5.364967251745522
Energy: 5.365650277576194
Energy: 5.3651766723337575
Energy: 5.3656502775800154
Energy: 5.364927150818722
Energy: 5.365751777856109
Energy: 1.6180831433224963
Energy: 5.365751777859932
Energy: 5.364927150822545
Energy: 5.365751777859932
Energy: 11.182708383249896
Energy: 5.366622284356466
Energy: 5.363636577353001
Energy: 5.366622205993755
Energy: 11.182708383246073
Energy: 5.366622309455807
Energy: 5.364967251745522
Energy: 5.365650277587663
Energy: 5.3651800043899645
Energy: 5.3656502775800154
Energy: 5.364967251749346
Energy: 5.3656502775800154
Energy: 8.740990464786499
Energy: 5.365751777856109
Energy: 5.364927150818722
Energy: 5.365751777856109
Energy: 8.740990464786499
Energy: 5.365751777852286
Energy: 5.363636577349177
Energy: 5.36662220506134
Energy: 4.664523727590311
Energy: 5.366622223874289
Energy: 5.363636577353001
Energy: 5.366622209360475
Energy: 5.365178802309391
Energy: 5.3656502775800154
Energy: 5.3649672517416995
Energy: 5.365650277583839
Energy: 5.365181324729317
Energy: 5.3656502775800154
Energy: 5.364927150822545
Energy: 5.365751777852286
Energy: 8.740990464790324
Energy: 5.365751777859932
Energy: 5.364927150822545
Energy: 5.365751777859932
Energy: 6.453739843358128
Energy: 5.366622204255004
Energy: 5.363636577353001
Energy: 5.366622208905694
Energy: 6.4537398433619515
Energy: 5.366622218100114

minimum gb energy = 1.6180831433224963 eV
minimum distance =  1.98080633752388 Angstroms
sigma value = 3


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

Energy: 4.251652775564349
Energy: 4.1974609284441815
Energy: 1.6604271345413828
Energy: 4.197460928452191
Energy: 4.2516527755722535
Energy: 4.197460928452191
Energy: 1.1227710399324715
Energy: 1.2638756349314584
Energy: 0.9733342106458304
Energy: 1.263875634926882
Energy: 1.1227710380203868
Energy: 1.2638756349417553
Energy: 4.628187982411459
Energy: 1.659156714277723
Energy: 0.8013220481163685
Energy: 1.6591567142708583
Energy: 4.628187982401163
Energy: 1.6591567142628496
Energy: 1.687673574838742
Energy: 1.0182249788640383
Energy: 0.6481401725568731
Energy: 1.0182249788811997
Energy: 1.6876735748433183
Energy: 1.0182249788663265
Energy: 1.107266188023269
Energy: 1.0702668888596156
Energy: 4.3543654639417255
Energy: 1.0702668888173883
Energy: 1.1072661883525587
Energy: 1.0702668888322615
Energy: 0.42418012154674783
Energy: 5.076865454349367
Energy: 4.325141147700908
Energy: 5.076865454345935
Energy: 0.4241797837157976
Energy: 5.076865454344791
Energy: 1.105090960207047
Energy: 3.6280156361386307
Energy: 2.8342656630802328
Energy: 3.6280156361489277
Energy: 1.1050909607994768
Energy: 3.6280156361477833
Energy: 1.1575889398376367
Energy: 0.9774445567090807
Energy: 0.6490875758688125
Energy: 0.9774445567170894
Energy: 1.1575889400503332
Energy: 0.9774445567102248
Energy: 4.61995492223099
Energy: 1.651963139268899
Energy: 4.352790727060163
Energy: 1.6519631392791958
Energy: 4.619954922227558
Energy: 1.6519631392654666
Energy: 4.616256697838626
Energy: 1.9380436235283582
Energy: 0.97686200020986
Energy: 1.938043623538655
Energy: 4.61625669784549
Energy: 1.9380436235100527
Energy: 0.4569654003731494
Energy: 1.344182680015587
Energy: 1.9380117891931017
Energy: 1.344182680014443
Energy: 0.4569585955195637
Energy: 1.344182680015587
Energy: 0.4599749057900163
Energy: -0.15913493952306176
Energy: 0.9766126045128877
Energy: -0.15913493952420585
Energy: 0.4599842606461294
Energy: -0.1591349395196295
Energy: 4.620679204596985
Energy: 2.6474575068642605
Energy: 0.9772602706072038
Energy: 2.6474575073262647
Energy: 4.620679204599273
Energy: 2.647457508030711
Energy: 4.619882401825172
Energy: 2.771591139245377
Energy: 0.6429355936868377
Energy: 2.7715911392476653
Energy: 4.619882401828604
Energy: 2.7715911392476653
Energy: 1.1385708145456197
Energy: 1.3970852747587847
Energy: 0.6497286000756513
Energy: 1.3970852747553524
Energy: 1.1385708177579092
Energy: 1.3970852747542084
Energy: 1.141198092580474
Energy: 1.9352501170191294
Energy: 4.328491514620523
Energy: 1.9352501170088328
Energy: 1.1411980925770417
Energy: 1.935250117014553
Energy: 1.1402821360362787
Energy: 1.9251852205210298
Energy: 4.32928743238993
Energy: 1.9251852205290383
Energy: 1.1402821359687774
Energy: 1.9251852205210298
Energy: 1.140179967823067
Energy: 0.7073060745084307
Energy: 0.6098789606038234
Energy: 0.7073060745061426
Energy: 1.1401799678310758
Energy: 0.7073060745038544
Energy: 4.620746791841486
Energy: 2.7165261527353306
Energy: 0.6526770532049887
Energy: 2.716526152765077
Energy: 4.62074679183691
Energy: 2.7165261527261784
Energy: 4.619548273020505
Energy: 1.9192230942168096
Energy: 0.9653453518552282
Energy: 1.9192230941904955
Energy: 4.619548273017072
Energy: 1.9192230942019364
Energy: 0.4419365321963162
Energy: 0.7906149838018642
Energy: 0.9866451688955306
Energy: 0.7906149838007203
Energy: 0.44196959363165267
Energy: 0.7906149838007203
Energy: 0.48304217310226116
Energy: 1.3419469204195704
Energy: 1.932554005859785
Energy: 1.3419469204025132
Energy: 0.4832376816162228
Energy: 1.3419469204275793
Energy: 4.618460552008611
Energy: 1.9308388061795
Energy: 0.980273268080143
Energy: 1.9308388061772122
Energy: 4.618460552007467
Energy: 1.9308388061772122
Energy: 4.617062704071447
Energy: 4.614307136048071
Energy: 4.349102839043532
Energy: 4.614307136052647
Energy: 4.617062704072591
Energy: 4.614307136049213
Energy: 1.1508819571103701
Energy: 0.7810251686282865
Energy: 0.6552252588582086
Energy: 0.7810251686557446
Energy: 1.1508819570200912
Energy: 0.781025168647736
Energy: 1.1121205171315194
Energy: 2.12480804393444
Energy: 5.062137240649527
Energy: 2.1248080439927883
Energy: 1.112120517359089
Energy: 2.124808043872659
Energy: 1.1505074527859145
Energy: 1.932991293757284
Energy: 4.322158246785527
Energy: 1.9329912936474516
Energy: 1.1505074527710415
Energy: 1.932991293702368
Energy: 1.1112727866784005
Energy: 1.387383450911596
Energy: 4.357318471316051
Energy: 1.3873834509240772
Energy: 1.1112727870020738
Energy: 1.3873834509275094
Energy: 2.5755638588618526
Energy: 4.262125742057079
Energy: 0.6548385084338412
Energy: 4.262125742081105
Energy: 2.5755638588710053
Energy: 4.262125742065087
Energy: 4.625843093352728
Energy: 1.6722424580917588
Energy: 4.343588939714022
Energy: 1.672242458120361
Energy: 4.625843093363024
Energy: 1.6722424581020556
Energy: 1.6069302739680362
Energy: 2.633679009192553
Energy: 0.9757340327988077
Energy: 2.633679009213043
Energy: 1.6069302741773004
Energy: 2.6336790092748235
Energy: 1.0941895828356571
Energy: 4.142697496258401
Energy: 1.9424438054643718
Energy: 4.142697496252681
Energy: 1.0945854317574248
Energy: 4.142697496259545
Energy: 1.146445243260049
Energy: 1.2677098213285587
Energy: 0.9677842957035568
Energy: 1.2677098212118618
Energy: 1.1464452432531844
Energy: 1.2677098211775388

minimum gb energy = -0.15913493952420585 eV
minimum distance =  1.96533423348692 Angstroms
sigma value = 67


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

Energy: 4.276813463671319
Energy: 8.189267323485561
Energy: 5.610309784262739
Energy: 8.18926732348067
Energy: 4.27681346367295
Energy: 8.189267323485561
Energy: 4.051682229010074
Energy: 4.1196071614491805
Energy: 4.032641020504252
Energy: 4.119607161455701
Energy: 4.051682229006813
Energy: 4.119607161452441
Energy: 4.035234076615209
Energy: 4.561367514866352
Energy: 4.04379425931443
Energy: 4.561367514864722
Energy: 4.035234076611949
Energy: 4.561367514863092
Energy: 4.129596058899599
Energy: 6.238844463064584
Energy: 4.040923178707405
Energy: 6.238844463066214
Energy: 4.129596058894709
Energy: 6.2388444630629545
Energy: 4.0338540623345605
Energy: 4.137240692338567
Energy: 4.1344170182955295
Energy: 4.137240692297812
Energy: 4.0338540623345605
Energy: 4.137240692332046
Energy: 4.058789295763809
Energy: 4.118546044702369
Energy: 4.034870269604243
Energy: 4.118546044702369
Energy: 4.058789295765439
Energy: 4.118546044699109
Energy: 4.037468995382729
Energy: 4.1199497321629694
Energy: 4.135126891055355
Energy: 4.11994973216786
Energy: 4.037468995384359
Energy: 4.11994973217112
Energy: 4.1343276280267425
Energy: 6.2424263396454664
Energy: 4.046944253210972
Energy: 6.242426339643836
Energy: 4.134327628028373
Energy: 6.2424263396454664
Energy: 4.123961345426591
Energy: 4.246587496619629
Energy: 4.041333109391039
Energy: 4.246587496619629
Energy: 4.12396134542333
Energy: 4.246587496617998
Energy: 4.129483557958208
Energy: 4.115728458635387
Energy: 4.124687573408238
Energy: 4.115728458632128
Energy: 4.129483557959839
Energy: 4.115728458632128
Energy: 4.038816615777853
Energy: 4.335010397831186
Energy: 4.129506725898613
Energy: 4.335010397831186
Energy: 4.038816615772964
Energy: 4.335010397829555
Energy: 4.041377932030069
Energy: 4.241637333252665
Energy: 4.041374120502088
Energy: 4.241637333262446
Energy: 4.041377932033329
Energy: 4.241637333260817
Energy: 4.129477370488087
Energy: 4.334600862154774
Energy: 4.038803324467149
Energy: 4.334600862159665
Energy: 4.129477370488087
Energy: 4.334600862158035
Energy: 4.1247071715253005
Energy: 4.11574064573005
Energy: 4.129508261123607
Energy: 4.11574064573168
Energy: 4.12470717152204
Energy: 4.11574064573168
Energy: 4.041619940371447
Energy: 4.243530120500123
Energy: 4.123984416330232
Energy: 4.243530120500123
Energy: 4.041619940369818
Energy: 4.243530120503384
Energy: 4.04768912589476
Energy: 6.242477929161334
Energy: 4.134338198887156
Energy: 6.242477929159702
Energy: 4.047689125950186
Energy: 6.2424779291629635
Energy: 4.136028347123061
Energy: 4.120002353526709
Energy: 4.123216322906166
Energy: 4.12000235352997
Energy: 4.136028347124692
Energy: 4.120002353526709
Energy: 4.0348564633308985
Energy: 4.118573665042881
Energy: 4.058805464259106
Energy: 4.118573665042881
Energy: 4.034856463327638
Energy: 4.118573665046141
Energy: 4.133861932258378
Energy: 4.129532545460446
Energy: 4.033795567589664
Energy: 4.1295325498959174
Energy: 4.133861932253486
Energy: 4.1295325483543435
Energy: 4.0409286986441115
Energy: 6.237860079946116
Energy: 4.1284979866584495
Energy: 6.237860079957527
Energy: 4.040928698645742
Energy: 6.237860079954268
Energy: 4.044458347284965
Energy: 4.561367514858202
Energy: 4.128689591600681
Energy: 4.561367514861462
Energy: 4.044458347286594
Energy: 4.561367514858202
Energy: 4.032701540725657
Energy: 4.119690327164261
Energy: 4.051713565604787
Energy: 4.119690327162631
Energy: 4.032701540724025
Energy: 4.119690327164261
Energy: 5.805069173164586
Energy: 8.189267323527949
Energy: 4.276813463669689
Energy: 8.189267323488822
Energy: 5.805069173161325
Energy: 8.189267323485561

minimum gb energy = 4.032641020504252 eV
minimum distance =  1.96914497137178 Angstroms
sigma value = 33


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

Energy: 4.645021035058414
Energy: 2.7514178742032676
Energy: 6.799047527833471
Energy: 2.751417874211541
Energy: 4.645018616194683
Energy: 2.7514178742074042
Energy: 2.848698688230441
Energy: 6.006398270280548
Energy: 2.9215241888764147
Energy: 6.006398270281488
Energy: 2.84870798976675
Energy: 6.00639827027942
Energy: 2.93403252596341
Energy: 3.559490044296255
Energy: 2.9399270936498882
Energy: 3.559490044297195
Energy: 2.93403252597582
Energy: 3.5594900442870414
Energy: 3.591532087329578
Energy: 5.178614199628434
Energy: 2.826199295792638
Energy: 5.1786141996222295
Energy: 3.591532087324502
Energy: 5.1786141995923325
Energy: 5.032651462769312
Energy: 2.9055997234248583
Energy: 5.164995251783748
Energy: 2.9055997234135766
Energy: 5.032651462769312
Energy: 2.90559972342279
Energy: 5.009439182535972
Energy: 3.1571776686130133
Energy: 2.9410795195261388
Energy: 3.1571776686141417
Energy: 5.0094391825421765
Energy: 3.1571776686162094
Energy: 2.936571011500149
Energy: 3.156524975171033
Energy: 3.19925391531054
Energy: 3.1565249751772377
Energy: 2.9365710114918753
Energy: 3.1565249751761097
Energy: 3.2023848411850135
Energy: 2.904261987135794
Energy: 5.023136145820884
Energy: 2.904261987127709
Energy: 3.202384841186141
Energy: 2.9042619871224438
Energy: 5.161806584521448
Energy: 4.176168417383149
Energy: 5.0176393888027695
Energy: 4.176168417384183
Energy: 5.161806584515242
Energy: 4.176168417385218
Energy: 2.847471607977583
Energy: 4.413653662783225
Energy: 2.9417001957316864
Energy: 3.439276543660727
Energy: 2.847471607964139
Energy: 4.413653662786232
Energy: 2.9433159844669534
Energy: 3.424340541378018
Energy: 3.190009269847661
Energy: 3.424340541383283
Energy: 2.94331598447109
Energy: 3.4243405413842227
Energy: 2.940566435232608
Energy: 3.1621514015034
Energy: 2.861285795759587
Energy: 3.1621514014981353
Energy: 2.9405664352367453
Energy: 3.1621514014981353
Energy: 5.4387015926853195
Energy: 2.747591632742704
Energy: 5.043684572298845
Energy: 2.74759163274684
Energy: 5.4387015926864475
Energy: 2.747591632744772
Energy: 2.922898913336159
Energy: 6.004999440003089
Energy: 3.034077007492119
Energy: 6.00499944000102
Energy: 2.922898913336159
Energy: 6.004999439997824
Energy: 4.0143450524634705
Energy: 3.5609297979474626
Energy: 2.9297050815958166
Energy: 3.5609297979453944
Energy: 4.014345052465539
Energy: 3.5609297979412577
Energy: 2.8258332362465683
Energy: 5.173702348774858
Energy: 2.9287927956044792
Energy: 5.173702348769594
Energy: 2.8258332362517393
Energy: 5.1737023487778675
Energy: 3.189595469597821
Energy: 2.936514588200344
Energy: 5.020198134757369
Energy: 2.9365145881982757
Energy: 3.1895922639787564
Energy: 2.936514588195079
Energy: 2.928475686796777
Energy: 3.1576429648963527
Energy: 2.863394643991429
Energy: 3.1576429648974806
Energy: 2.928475686788503
Energy: 3.157642964895412
Energy: 4.0363339266911185
Energy: 3.1561337672640195
Energy: 2.924852454063268
Energy: 3.1561337672578142
Energy: 4.036333926694314
Energy: 3.1561337672536776
Energy: 5.036016859151346
Energy: 2.940839231299888
Energy: 3.183836993781449
Energy: 2.940839231294811
Energy: 5.036016859148245
Energy: 2.9408392312968794
Energy: 2.9301922863328844
Energy: 4.203882083846744
Energy: 2.8377198147800167
Energy: 4.203882083845803
Energy: 2.9301922882524845
Energy: 4.203882083845803
Energy: 2.933001553002248
Energy: 3.1565645633448853
Energy: 5.1624950227337445
Energy: 3.156564563354099
Energy: 2.9330015530013083
Energy: 3.156564563342817
Energy: 3.2011449509472127
Energy: 3.1568441275996517
Energy: 2.9316572248100123
Energy: 3.1568441275966435
Energy: 3.2011449509481524
Energy: 3.1568441275955146
Energy: 5.023331754424284
Energy: 3.213702725848691
Energy: 2.9462903344968505
Energy: 3.2137027258466224
Energy: 5.023331754420147
Energy: 3.2137027258466224
Energy: 2.8557112868778227
Energy: 3.159186670411439
Energy: 2.9466379600495824
Energy: 3.159186670414447
Energy: 2.8557112849799404
Energy: 3.159186670411439
Energy: 3.195740676096873
Energy: 3.4213682894834996
Energy: 2.939091986011241
Energy: 3.42136828947015
Energy: 3.195740676098002
Energy: 3.4213682894690214
Energy: 2.9394597892573904
Energy: 3.156094643989533
Energy: 5.160151816863784
Energy: 3.1560946439853965
Energy: 2.939459789259459
Energy: 3.15609464399367
Energy: 5.012062808823238
Energy: 4.300543091247709
Energy: 2.8474811649873075
Energy: 4.300543091244701
Energy: 5.012062808823238
Energy: 4.3005430912456415
Energy: 5.033875390566571
Energy: 2.903376737296208
Energy: 3.2068581238819687
Energy: 2.9033767372858663
Energy: 5.03387539056864
Energy: 2.9033767372909427
Energy: 3.2037397823299867
Energy: 3.15495254660606
Energy: 2.9288407004754307
Energy: 3.1549525466143336
Energy: 3.203739782327918
Energy: 3.1549525466122654
Energy: 2.935730468105732
Energy: 4.501942737607721
Energy: 2.9379239567338575
Energy: 4.50194273759738
Energy: 2.9357304681108087
Energy: 4.501942737215867
Energy: 2.921667962938583
Energy: 2.936618233550578
Energy: 5.035436769313613
Energy: 2.9366182335443733
Energy: 2.9216679629084976
Energy: 2.9366182335443733
Energy: 2.8197502155278182
Energy: 5.812208098373104
Energy: 3.0678365631257853
Energy: 5.812208098375173
Energy: 2.8197502155391936
Energy: 5.812208098376301
Energy: 2.8499840629155635
Energy: 3.5601057812993413
Energy: 2.9294428787187377
Energy: 3.560105781295204
Energy: 2.849651969601404
Energy: 3.560105781295204
Energy: 2.9159856316324855
Energy: 6.005093815212884
Energy: 2.9386962247444055
Energy: 6.005093815210815
Energy: 2.915985631633425
Energy: 6.005093815210815
Energy: 4.306472863938851
Energy: 2.747010651263483
Energy: 5.0607153164526535
Energy: 2.7470106512738246
Energy: 4.306472863938851
Energy: 2.7470106512686536
Energy: 2.929757743419092
Energy: 4.68486350513805
Energy: 2.8658432438426065
Energy: 4.684863505134854
Energy: 2.929757743423229
Energy: 4.684863505134854

minimum gb energy = 2.747010651263483 eV
minimum distance =  1.95493414615926 Angstroms
sigma value = 41


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

Energy: -0.5100291607256928
Energy: 1.0503881095364993
Energy: 7.068782297299676
Energy: 1.050388109542018
Energy: -0.5100435067060994
Energy: 1.0503881095448417
Energy: 4.846840470314618
Energy: 0.8985033570614116
Energy: 0.9503353252277086
Energy: 0.8985033570557643
Energy: 4.846832142329068
Energy: 0.8985033570755294
Energy: -0.5062403312670297
Energy: 3.0195814655858615
Energy: 0.9556592205690193
Energy: 3.0195814655830375
Energy: -0.5062624129017387
Energy: 3.0195814655830375
Energy: 5.017094806383389
Energy: 0.9000387359829771
Energy: 0.9450648154280639
Energy: 0.9000387359858009
Energy: 5.01562059404679
Energy: 0.9000387359858009
Energy: -0.49651265853201293
Energy: 0.9167248956355407
Energy: 0.9541176023056189
Energy: 0.9167248956298936
Energy: -0.4967301239991305
Energy: 0.9167248956327173
Energy: -0.5044922373246289
Energy: 0.21602711275046127
Energy: 0.9497866725867443
Energy: 0.2160271127617556
Energy: -0.5044866223445328
Energy: 0.21602711276457917
Energy: 4.992964953201921
Energy: 0.8990543370022871
Energy: 0.9504089214526
Energy: 0.8990543369994636
Energy: 4.9934138270087525
Energy: 0.8990543370022871
Energy: -0.5008397799183382
Energy: 0.8960447392075231
Energy: 0.9511340414255556
Energy: 0.8960447392131703
Energy: -0.5006897651852329
Energy: 0.8960447391877581
Energy: 4.852872355362265
Energy: 0.21566862459918404
Energy: 0.9528434206315154
Energy: 0.21566862460200764
Energy: 4.852703060917287
Energy: 0.21566862461612554
Energy: -0.5060633730440285
Energy: 1.0580945718997963
Energy: 0.9515496994924171
Energy: 1.0580945718997963
Energy: -0.5021107191543006
Energy: 1.05809457190262
Energy: 4.859165299224836
Energy: 0.9115464815335064
Energy: 0.9430806901759239
Energy: 0.9115464815335064
Energy: 4.85916241051514
Energy: 0.9115464815335064
Energy: -0.5023987560693415
Energy: 3.0244502210087387
Energy: 3.2229020171861427
Energy: 3.0244502208816777
Energy: -0.4987565245759728
Energy: 3.024450221000268
Energy: 4.860627399371638
Energy: 0.911581835020232
Energy: 0.9490444080154226
Energy: 0.9115818350230557
Energy: 4.859944234577889
Energy: 0.9115818350230557
Energy: -0.5021049155211303
Energy: 1.0611105031978165
Energy: 0.9511604549041867
Energy: 1.0611105031921693
Energy: -0.5021835749011196
Energy: 1.0611105031893455

minimum gb energy = -0.5100435067060994 eV
minimum distance =  2.07825768051874 Angstroms
sigma value = 11


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

Energy: 4.10941250065286
Energy: 4.255086147574998
Energy: 4.599241535923086
Energy: 4.255086147572517
Energy: 4.109412500662784
Energy: 4.255086147567556
Energy: 4.289712179247475
Energy: 4.598665219383996
Energy: 4.317412348708526
Energy: 4.598665219391437
Energy: 4.289712179247475
Energy: 4.598665219385237
Energy: 4.3037718831209775
Energy: 4.628865573431981
Energy: 4.285358164024551
Energy: 4.628865573433222
Energy: 4.303771883122218
Energy: 4.6288655734307405
Energy: 4.635448558415689
Energy: 4.59896797988664
Energy: 4.301161884034775
Energy: 4.598967979889122
Energy: 4.63544855841693
Energy: 4.598967979889122
Energy: 4.285813311281642
Energy: 4.506691426019136
Energy: 4.610036290475035
Energy: 4.506691426016656
Energy: 4.2858133112804015
Energy: 4.506691426012934
Energy: 4.172218735128248
Energy: 4.408062640757493
Energy: 4.293970902657184
Energy: 4.408062640762455
Energy: 4.172218735127007
Energy: 4.408062640761214
Energy: 4.647476600538226
Energy: 4.50367093375513
Energy: 4.159832129910273
Energy: 4.50367093375513
Energy: 4.647476600538226
Energy: 4.50367093375513
Energy: 4.308675593975433
Energy: 4.633004153716241
Energy: 4.294892977296015
Energy: 4.633004153716241
Energy: 4.308675593976674
Energy: 4.633004153716241
Energy: 4.292919246827882
Energy: 5.137789082228727
Energy: 4.318993941031254
Energy: 5.137789082229967
Energy: 4.292919246826641
Energy: 5.137789082232448
Energy: 4.326964270003971
Energy: 4.594216770118735
Energy: 4.606227504701784
Energy: 4.594216770117495
Energy: 4.326964270003971
Energy: 4.594216770118735
Energy: 4.511116911276177
Energy: 4.272182299412218
Energy: 4.15549226064682
Energy: 4.272182299409737
Energy: 4.511116911276177
Energy: 4.272182299408496
Energy: 4.307899923487474
Energy: 4.41512069845275
Energy: 4.17617254368433
Energy: 4.41512069845275
Energy: 4.307899923487474
Energy: 4.415120698451509
Energy: 4.2945834367509
Energy: 4.598599836156612
Energy: 4.4191339038254185
Energy: 4.598599836157852
Energy: 4.2945834367509
Energy: 4.598599836157852
Energy: 4.608342112355872
Energy: 5.159723524958966
Energy: 4.6032562556316945
Energy: 5.159723524957725
Energy: 4.608342112358353
Energy: 5.159723524958966
Energy: 4.319232733210983
Energy: 4.64887971916253
Energy: 4.298141559019446
Energy: 4.648879719165011
Energy: 4.319232733208502
Energy: 4.64887971916377
Energy: 4.60148062271829
Energy: 4.266869575390918
Energy: 4.158816888486849
Energy: 4.266869575389679
Energy: 4.60148062271829
Energy: 4.266869575388438
Energy: 4.160501062062611
Energy: 4.500869633269726
Energy: 4.303393563265496
Energy: 4.500869633273448
Energy: 4.160501062065092
Energy: 4.500869633273448
Energy: 4.296185308727864
Energy: 4.647065401871846
Energy: 4.307004611786311
Energy: 4.647065401874327
Energy: 4.296185308727864
Energy: 4.647065401869365
Energy: 4.609661992209701
Energy: 4.594387164900876
Energy: 4.605988587342478
Energy: 4.594387164899637
Energy: 4.609661992210942
Energy: 4.594387164900876
Energy: 4.293308087030185
Energy: 4.602913894607819
Energy: 4.304666239202754
Energy: 4.602913894607819
Energy: 4.293308087031426
Energy: 4.602913894606578
Energy: 4.181312898637503
Energy: 4.42056449397143
Energy: 4.305061522094784
Energy: 4.42056449397515
Energy: 4.181312898637503
Energy: 4.42056449397639
Energy: 4.149719695759604
Energy: 4.278743776565052
Energy: 4.6016344111233645
Energy: 4.278743776566293
Energy: 4.149719695759604
Energy: 4.278743776565052
Energy: 4.505132679484903
Energy: 4.595847866109386
Energy: 4.326993576168297
Energy: 4.595847866105665
Energy: 4.505132679488624
Energy: 4.595847866105665
Energy: 4.312164506223155
Energy: 5.139666367186932
Energy: 4.293690419262505
Energy: 5.139666367189411
Energy: 4.312164506224396
Energy: 5.1396663671881715
Energy: 4.293718898520679
Energy: 4.633105894182886
Energy: 4.3087185272831166
Energy: 4.633105894182886
Energy: 4.293718898521919
Energy: 4.633105894182886
Energy: 4.1625394202670005
Energy: 4.504025591459656
Energy: 4.634876817733894
Energy: 4.504025591458415
Energy: 4.162539420268241
Energy: 4.504025591460896
Energy: 4.291177845143062
Energy: 4.409318587168969
Energy: 4.285675920001486
Energy: 4.409318587168969
Energy: 4.291177845145543
Energy: 4.409318587170209
Energy: 4.6197178522402975
Energy: 4.509940662620464
Energy: 4.164880588314779
Energy: 4.509940662620464
Energy: 4.619717852241538
Energy: 4.509940662620464
Energy: 4.3054519877321
Energy: 4.604905343611293
Energy: 4.6464236711700515
Energy: 4.604905343612534
Energy: 4.3054519877606285
Energy: 4.604905343612534
Energy: 4.287139279419738
Energy: 4.6415686272761105
Energy: 4.30217796017173
Energy: 4.641568627274871
Energy: 4.287139279420978
Energy: 4.641568627273743
Energy: 4.319657438723562
Energy: 4.608811725087632
Energy: 4.283228261203606
Energy: 4.608811725082671
Energy: 4.319657438726042
Energy: 4.608811725082671

minimum gb energy = 4.10941250065286 eV
minimum distance =  1.93740237880378 Angstroms
sigma value = 57


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

Energy: 5.701549550436379
Energy: 5.66739492829291
Energy: 2.5255587184603763
Energy: 5.6673949282862885
Energy: 5.701549550438586
Energy: 5.6673949283347484
Energy: 5.576166651131378
Energy: 5.804482590263772
Energy: 5.7369409740528745
Energy: 5.74766000634642
Energy: 5.576166651133586
Energy: 5.766264113737809
Energy: 5.948934168264792
Energy: 6.001685805193989
Energy: 5.737649193991859
Energy: 6.001685805196198
Energy: 5.948934168262585
Energy: 6.001685805202819
Energy: 5.741152919908613
Energy: 6.271512070655894
Energy: 5.741267066789248
Energy: 6.27419614106845
Energy: 5.741152919908613
Energy: 6.27151207064265
Energy: 5.73765241583139
Energy: 6.001942106333392
Energy: 5.9489416766114855
Energy: 6.001942106331186
Energy: 5.737652415829184
Energy: 6.001942106340015
Energy: 5.736615231499633
Energy: 5.747718210542271
Energy: 5.576128830532414
Energy: 5.7477182105511
Energy: 5.7366152315018395
Energy: 5.7477182105511
Energy: 6.318519604332863
Energy: 5.667394928275252
Energy: 5.701549550438586
Energy: 5.667394928273044
Energy: 6.318519604330657
Energy: 5.6673949282642155
Energy: 5.736940974055082
Energy: 5.804482590261565
Energy: 5.576166651135792
Energy: 5.804482590265979
Energy: 5.736940974055082
Energy: 5.747660006372907
Energy: 5.737649193989652
Energy: 6.001685805193989
Energy: 5.948934168264792
Energy: 6.001685805198404
Energy: 5.737649193987444
Energy: 6.001685805196198
Energy: 5.741267066791455
Energy: 6.190387223647636
Energy: 5.741152919913027
Energy: 6.274196141083901
Energy: 5.74126706678704
Energy: 6.190387223652051
Energy: 5.948941676607072
Energy: 6.001942106333392
Energy: 5.73765241583139
Energy: 6.001942106331186
Energy: 5.948941676609279
Energy: 6.001942106331186
Energy: 5.5761288305390355
Energy: 5.747718210557721
Energy: 5.7366152315018395
Energy: 5.747718210542271
Energy: 5.5761288305412435
Energy: 5.747718210546686
Energy: 5.701549550436379
Energy: 5.667394928392139
Energy: 6.059872218310195
Energy: 5.667394928299432
Energy: 5.701549550436379
Energy: 5.667394928290703
Energy: 5.576166651131378
Energy: 5.747660006370699
Energy: 5.736940974055082
Energy: 5.747660006370699
Energy: 5.576166651133586
Energy: 5.747660006348626
Energy: 5.948934168264792
Energy: 6.001685805205026
Energy: 5.737649193991859
Energy: 6.001685805202819
Energy: 5.948934168264792
Energy: 6.001685805193989
Energy: 5.741152919915235
Energy: 6.190387223652051
Energy: 5.74126706678704
Energy: 6.190387223656466
Energy: 5.741152919908613
Energy: 6.190387223658672
Energy: 5.737652415833598
Energy: 6.0019421063356
Energy: 5.9489416766114855
Energy: 6.0019421063356
Energy: 5.737652415833598
Energy: 6.001942106340015

minimum gb energy = 2.5255587184603763 eV
minimum distance =  1.94311895990177 Angstroms
sigma value = 9


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

Energy: 5.150751077472827
Energy: 5.046075514825756
Energy: 6.142903384024727
Energy: 5.046075514832966
Energy: 5.150751077469224
Energy: 5.046075514831164
Energy: 4.968414015823996
Energy: 5.212285430240855
Energy: 5.57468705739766
Energy: 5.212285430248064
Energy: 4.968414015818589
Energy: 5.212285430248064
Energy: 5.896927394123803
Energy: 5.707655352644166
Energy: 5.583022835947559
Energy: 5.70765535265498
Energy: 5.896927394127407
Energy: 5.707655352662189
Energy: 5.896267404072853
Energy: 5.975801010182698
Energy: 5.208608257823021
Energy: 5.975801010179093
Energy: 5.896267404080063
Energy: 5.975801010182698
Energy: 4.965008447918858
Energy: 6.415281042200614
Energy: 5.576263684197395
Energy: 6.415281042195208
Energy: 4.965008447931473
Energy: 6.4152810421916024
Energy: 5.8957585562939725
Energy: 5.8981023959207
Energy: 5.562670989206076
Energy: 5.898102395924305
Energy: 5.8957585563010175
Energy: 5.898102395927909
Energy: 5.905390720415981
Energy: 5.709746958549607
Energy: 5.583586552098772
Energy: 5.709746958547805
Energy: 5.905390720419585
Energy: 5.709746958556816
Energy: 4.981139159793563
Energy: 5.1944475571984485
Energy: 5.600651855169893
Energy: 5.194447557202053
Energy: 4.981139159789958
Energy: 5.19444755720025
Energy: 4.960086280039305
Energy: 4.9765309949626975
Energy: 5.200445695215543
Energy: 4.976530994957291
Energy: 4.960186643018292
Energy: 4.976530994959092
Energy: 5.8649204913062105
Energy: 5.199523213026605
Energy: 5.573256723671831
Energy: 5.199523213033815
Energy: 5.8649204913062105
Energy: 5.199523213057245
Energy: 5.900822305777462
Energy: 5.885597323436725
Energy: 5.446494788933431
Energy: 5.885597323438526
Energy: 5.900822305784672
Energy: 5.885597323434923
Energy: 5.890949488995606
Energy: 5.803899992799977
Energy: 5.200105537645837
Energy: 5.803899992790966
Energy: 5.890949488993804
Energy: 5.803899992799977
Energy: 5.896000351003332
Energy: 5.752109432901365
Energy: 5.45191104751108
Energy: 5.752109432912178
Energy: 5.896000351001529
Energy: 5.752109432913981
Energy: 5.893953507946188
Energy: 5.897863272705557
Energy: 5.189318729540339
Energy: 5.897863272710962
Energy: 5.893953507944385
Energy: 5.8978632727127644
Energy: 5.8473943248626385
Energy: 5.070982905404749
Energy: 5.598225870347897
Energy: 5.070975509041485
Energy: 5.847394324864442
Energy: 5.0709351028834675
Energy: 4.971342767180478
Energy: 4.977650170437212
Energy: 5.199441524621715
Energy: 4.977650170433607
Energy: 4.971342767178677
Energy: 4.977650170433607
Energy: 4.9611726395729665
Energy: 4.976116518873512
Energy: 5.41770673544697
Energy: 4.97611651887171
Energy: 4.961172639565758
Energy: 4.976116518869908
Energy: 5.669878871021665
Energy: 5.20527547509095
Energy: 5.572252041997433
Energy: 5.205275507801644
Energy: 5.669878871030676
Energy: 5.205275472739994
Energy: 5.903808197634913
Energy: 5.898900142832016
Energy: 5.355172206473111
Energy: 5.898900142826609
Energy: 5.903808197638517
Energy: 5.898900142823004
Energy: 5.918445234474135
Energy: 6.422559131982894
Energy: 5.601673109629519
Energy: 6.422559131984697
Energy: 5.918445234472333
Energy: 6.422559131984697
Energy: 5.902552584814099
Energy: 5.982834168940194
Energy: 5.196833452379504
Energy: 5.982834168941997
Energy: 5.9025525848177045
Energy: 5.982834168940194

minimum gb energy = 4.960086280039305 eV
minimum distance =  1.95136885819202 Angstroms
sigma value = 27


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

Energy: 5.5794926022635885
Energy: 5.561404131599862
Energy: 5.798451587324722
Energy: 5.561404131613535
Energy: 5.5794926022635885
Energy: 5.5614041316150535
Energy: 5.504673626910397
Energy: 5.575756543395794
Energy: 5.478489629469506
Energy: 5.5757565433942755
Energy: 5.504673626911916
Energy: 5.575756543392756
Energy: 5.565175469990049
Energy: 5.562168676910593
Energy: 5.478368023264975
Energy: 5.56216867691819
Energy: 5.565175469993086
Energy: 5.562168676916671
Energy: 5.508209675133098
Energy: 5.952336435499811
Energy: 5.564574588241975
Energy: 5.952336435501332
Energy: 5.508209675133098
Energy: 5.952336435501332
Energy: 5.553001404525983
Energy: 6.477078165341961
Energy: 5.554471394965769
Energy: 6.477078165343481
Energy: 5.553001404524465
Energy: 6.4770781653450005
Energy: 5.566119487741195
Energy: 5.565015212801793
Energy: 5.573313278376974
Energy: 5.565015212798755
Energy: 5.566119487741195
Energy: 5.565015212800274
Energy: 5.335603603111286
Energy: 5.732769260626521
Energy: 5.507686445565383
Energy: 5.732769260629558
Energy: 5.335603603112807
Energy: 5.732769260626521
Energy: 5.478021752136067
Energy: 5.675448865111777
Energy: 5.483024614913343
Energy: 5.6754488651163335
Energy: 5.478021752137587
Energy: 5.675448865114815
Energy: 5.582107804024338
Energy: 5.471938723867404
Energy: 5.802606659780186
Energy: 5.471938723879558
Energy: 5.58210780401978
Energy: 5.4719387238810775
Energy: 5.478089888934831
Energy: 5.4816337674091535
Energy: 5.65335534715383
Energy: 5.48163376740156
Energy: 5.478089888934831
Energy: 5.481633767400039
Energy: 5.477072170355113
Energy: 5.33778300501366
Energy: 5.653530031342442
Energy: 5.33778300501366
Energy: 5.477072170355113
Energy: 5.337783005015178
Energy: 5.583464437211058
Energy: 5.447716230994434
Energy: 5.639341887808442
Energy: 5.447716230994434
Energy: 5.583464437217134
Energy: 5.447716230994434
Energy: 5.477689527377852
Energy: 5.679376519204035
Energy: 5.505993908095343
Energy: 5.679376519208593
Energy: 5.477689527377852
Energy: 5.679376519208593
Energy: 5.560786328315181
Energy: 5.490947283989628
Energy: 5.506675369667229
Energy: 5.490947283988108
Energy: 5.560786328315181
Energy: 5.4909472839850695
Energy: 5.563649398755611
Energy: 5.563673796088448
Energy: 5.574231026761694
Energy: 5.56367379608541
Energy: 5.563649398755611
Energy: 5.563673796089967
Energy: 5.552852430345705
Energy: 6.477078165341961
Energy: 5.338756687122518
Energy: 6.477078165338923
Energy: 5.552852430345705
Energy: 6.4770781653450005
Energy: 5.509808800169538
Energy: 5.5043532542945
Energy: 5.576952080132768
Energy: 5.504353254299057
Energy: 5.509808800169538
Energy: 5.504353254299057
Energy: 5.565805686455614
Energy: 5.564557414599263
Energy: 5.478649071112117
Energy: 5.564557414599263
Energy: 5.565805686455614
Energy: 5.564557414600783
Energy: 5.510391862575532
Energy: 5.504699108440639
Energy: 5.477868165885461
Energy: 5.504699108430004
Energy: 5.51039186257857
Energy: 5.504699108430004
Energy: 5.57949260226055
Energy: 5.561404131601382
Energy: 5.894423363661712
Energy: 5.561404131612015
Energy: 5.5794926022635885
Energy: 5.561404131610496
Energy: 5.504673626914955
Energy: 5.575756543398832
Energy: 5.478489629469506
Energy: 5.575756543395794
Energy: 5.504673626910397
Energy: 5.575756543397314
Energy: 5.56517546998701
Energy: 5.562168676912114
Energy: 5.478368023264975
Energy: 5.56216867691819
Energy: 5.565175469988529
Energy: 5.562168676916671
Energy: 5.508209675130058
Energy: 5.952336435510446
Energy: 5.564574588243493
Energy: 5.9523364355028505
Energy: 5.5082096751285405
Energy: 5.9523364355028505
Energy: 5.553001404530403
Energy: 6.477078165343481
Energy: 5.554471394967289
Energy: 6.477078165348038
Energy: 5.553001404528883
Energy: 6.477078165348038
Energy: 5.566119487738155
Energy: 5.565015212804831
Energy: 5.5733132783724155
Energy: 5.565015212798755
Energy: 5.566119487739676
Energy: 5.565015212798755

minimum gb energy = 5.335603603111286 eV
minimum distance =  1.97385642221238 Angstroms
sigma value = 19


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

Energy: 5.422526260090411
Energy: 5.191010526376917
Energy: 5.336853423993997
Energy: 5.191010526372983
Energy: 5.422526260090411
Energy: 5.191010526374295
Energy: 5.221492901374253
Energy: 5.013971108251738
Energy: 5.041416545608203
Energy: 5.0139711082569836
Energy: 5.221492901374253
Energy: 5.0139711082569836
Energy: 5.201741256774657
Energy: 5.223215085939288
Energy: 5.0427656978830875
Energy: 5.223215085941912
Energy: 5.201741256774657
Energy: 5.223215085943223
Energy: 5.226496143135466
Energy: 5.356818304729176
Energy: 5.354131329355406
Energy: 5.356818304726553
Energy: 5.226496143138088
Energy: 5.356818304729176
Energy: 5.220321138633017
Energy: 5.508772922833708
Energy: 5.347001492682273
Energy: 5.508772922835019
Energy: 5.220321138633017
Energy: 5.508772922833708
Energy: 5.252503627944756
Energy: 5.330720487172395
Energy: 5.341812176337558
Energy: 5.330720487172395
Energy: 5.252503627946067
Energy: 5.330720487171084
Energy: 5.225978851857051
Energy: 6.667666311360919
Energy: 5.348028653785946
Energy: 6.667666311354362
Energy: 5.225978851860986
Energy: 6.667666311354362
Energy: 5.22620413591581
Energy: 5.338049524353701
Energy: 5.3446389940395616
Energy: 5.338049524357635
Energy: 5.226204135913188
Energy: 5.338049524368126
Energy: 5.224841505834117
Energy: 5.33737381471855
Energy: 5.547946567445046
Energy: 5.337373814715927
Energy: 5.224841505832806
Energy: 5.337373814715927
Energy: 5.227716800766115
Energy: 5.299819201987688
Energy: 5.04149521923051
Energy: 5.299819201992933
Energy: 5.227716800763491
Energy: 5.299819201992933
Energy: 5.2316464063156145
Energy: 5.133791443765442
Energy: 5.042656384918016
Energy: 5.133791443768064
Energy: 5.2316464063156145
Energy: 5.133791443768064
Energy: 4.539941708965499
Energy: 5.04427927657767
Energy: 5.044843217146938
Energy: 5.044279276575047
Energy: 4.539941708968122
Energy: 5.044279276576358
Energy: 4.5556076975033255
Energy: 5.3571342432074935
Energy: 5.045511965612428
Energy: 5.357134243210116
Energy: 4.555607697499391
Energy: 5.3571342432088045
Energy: 5.245272334070877
Energy: 5.1339549818635195
Energy: 5.020807456989654
Energy: 5.13395498185434
Energy: 5.245272334070877
Energy: 5.133954981855651
Energy: 5.235972371483018
Energy: 5.350185304926732
Energy: 5.044121660139354
Energy: 5.350185304917551
Energy: 5.2359723714751505
Energy: 5.350185304918863
Energy: 5.234967660922803
Energy: 5.338421667626155
Energy: 4.863120592131263
Energy: 5.338421667632711
Energy: 5.234967660921492
Energy: 5.338421667619599
Energy: 5.19827491060367
Energy: 5.337943103316984
Energy: 4.865656843331692
Energy: 5.3379431033156735
Energy: 5.198274910606293
Energy: 5.3379431033156735
Energy: 5.23826521604288
Energy: 5.649631927248278
Energy: 5.040459579071599
Energy: 5.649631927822282
Energy: 5.238265216040257
Energy: 5.649631927003059
Energy: 5.19831925411675
Energy: 5.3375075219814825
Energy: 4.865670533743054
Energy: 5.33750752198017
Energy: 5.198319254115439
Energy: 5.337507521978859
Energy: 5.234348712496883
Energy: 5.338624894764313
Energy: 4.86325342927241
Energy: 5.3386248947551325
Energy: 5.234348712498194
Energy: 5.338624894773491
Energy: 5.235882969273279
Energy: 5.350207491754271
Energy: 5.044119689696995
Energy: 5.350207491760828
Energy: 5.235882969271968
Energy: 5.350207491762139
Energy: 5.245202339075645
Energy: 5.133898270293743
Energy: 5.020812563905469
Energy: 5.133898270288498
Energy: 5.245202339073022
Energy: 5.133898270284564
Energy: 4.554117365629041
Energy: 5.356921092519863
Energy: 5.045581002231915
Energy: 5.3569210925237964
Energy: 4.554117365625107
Energy: 5.3569210925237964
Energy: 4.539274809847569
Energy: 5.044379042904289
Energy: 5.04481799582476
Energy: 5.044379042902977
Energy: 4.5392748098436355
Energy: 5.044379042904289
Energy: 5.23152251111643
Energy: 5.13380869998195
Energy: 5.019644965924985
Energy: 5.133808699979327
Energy: 5.231522511113807
Energy: 5.133808699979327
Energy: 5.227741269545748
Energy: 5.2998987314538955
Energy: 5.0414889239550975
Energy: 5.2998987314538955
Energy: 5.227741269540503
Energy: 5.299898731455206
Energy: 5.2248665974603625
Energy: 5.337513523123716
Energy: 5.4180325563131415
Energy: 5.337513523118471
Energy: 5.224866597456429
Energy: 5.3375135231224045
Energy: 5.226167089486936
Energy: 5.338435358430916
Energy: 5.344659199337086
Energy: 5.338435358432227
Energy: 5.226167089496115
Energy: 5.33843535843616
Energy: 5.225568355168059
Energy: 6.667666311354362
Energy: 5.347994114173223
Energy: 6.667666311347805
Energy: 5.225568355165437
Energy: 6.667666311349117

minimum gb energy = 4.5392748098436355 eV
minimum distance =  1.95507563205385 Angstroms
sigma value = 101


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

Energy: 5.320014255186871
Energy: 5.141156615122292
Energy: 5.221757238009665
Energy: 5.1411566151199874
Energy: 5.320014255181107
Energy: 5.141156615118834
Energy: 5.1347750491458815
Energy: 5.116284767236242
Energy: 5.1452469908172755
Energy: 5.116284767244311
Energy: 5.1347750491458815
Energy: 5.116284767242006
Energy: 5.193264940717754
Energy: 5.158457858842848
Energy: 5.132630276571495
Energy: 5.158457858841696
Energy: 5.193264940733892
Energy: 5.158457858845154
Energy: 5.132632454027572
Energy: 5.123798440722354
Energy: 5.207827502874963
Energy: 5.190463208789003
Energy: 5.1326324540229615
Energy: 5.6703471949047755
Energy: 5.12049931511568
Energy: 5.358992710410869
Energy: 5.133208644191061
Energy: 5.358992710410869
Energy: 5.12049931511568
Energy: 5.358992710410869
Energy: 5.1956812648425394
Energy: 6.072772530496028
Energy: 5.126920354878988
Energy: 6.072772530494874
Energy: 5.195681264843693
Energy: 6.072772530494874
Energy: 5.196457976286559
Energy: 6.262182592053285
Energy: 5.123126710872923
Energy: 6.262182592054438
Energy: 5.196457976291169
Energy: 6.262182592054438
Energy: 5.185489908374024
Energy: 6.278779338677894
Energy: 5.206583776744461
Energy: 6.251580449256864
Energy: 5.185489908375176
Energy: 6.278779338679047
Energy: 5.121302387444623
Energy: 6.078659966661969
Energy: 5.194669558829089
Energy: 6.078659966661969
Energy: 5.121302387444623
Energy: 6.078659966661969
Energy: 5.132951051768517
Energy: 6.082724323242237
Energy: 5.1194327395010895
Energy: 6.082724323242237
Energy: 5.132951051768517
Energy: 6.082724323239932
Energy: 5.271917476133373
Energy: 6.016836053117991
Energy: 5.1320686570268625
Energy: 6.016836053119143
Energy: 5.271917476134525
Energy: 6.016836053120297
Energy: 5.146428891348784
Energy: 5.124827246991404
Energy: 5.124728602543744
Energy: 5.124827246993711
Energy: 5.146428891351091
Energy: 5.1248272469948635
Energy: 5.13257124192825
Energy: 5.157884166831657
Energy: 5.12387891148103
Energy: 5.157884166816672
Energy: 5.132571241932861
Energy: 5.15788416682474
Energy: 5.214149026761154
Energy: 5.077266619452956
Energy: 5.043236979018826
Energy: 5.122990054263716
Energy: 5.214149026758848
Energy: 5.0772666194518035
Energy: 5.0812178479107875
Energy: 5.307699263078871
Energy: 5.044000955049484
Energy: 5.307699263076565
Energy: 5.081217847914246
Energy: 5.307699263076565
Energy: 5.135249011806216
Energy: 5.124494869500031
Energy: 5.198990734485607
Energy: 5.124494869498879
Energy: 5.135249011807368
Energy: 5.124494869500031
Energy: 5.121858935979261
Energy: 5.193112855143229
Energy: 5.122354702829342
Energy: 5.193112855138619
Energy: 5.121858935980412
Energy: 5.1931128551409245
Energy: 5.204578678212226
Energy: 5.1898683383531345
Energy: 5.131877975864007
Energy: 5.189868338351982
Energy: 5.2045786782145305
Energy: 5.18986833835544
Energy: 5.16192896866019
Energy: 6.089439190601926
Energy: 5.187072438333459
Energy: 6.089439190600773
Energy: 5.161928968657885
Energy: 6.089439190600773
Energy: 5.120828150436886
Energy: 6.271446516906573
Energy: 5.1360585715574345
Energy: 6.27144651690542
Energy: 5.120828150436886
Energy: 6.27144651690542
Energy: 5.248444480505576
Energy: 5.193375665096907
Energy: 5.190676043503758
Energy: 5.193375665092296
Energy: 5.248444480506729
Energy: 5.1933756650946
Energy: 5.125885766927863
Energy: 6.089090173947994
Energy: 5.129213800498906
Energy: 6.0890901739468415
Energy: 5.125885766929015
Energy: 6.089090173947994
Energy: 5.189454895616754
Energy: 6.073808918524859
Energy: 5.126647640322805
Energy: 6.073808918526012
Energy: 5.18945489561906
Energy: 6.073808918524859
Energy: 5.1315031410192935
Energy: 5.660894253807182
Energy: 5.3622700727681405
Energy: 5.189240424282818
Energy: 5.131503141015834
Energy: 5.66089425381064
Energy: 5.124917998482136
Energy: 5.344714166728686
Energy: 5.119881473068723
Energy: 5.344714166728686
Energy: 5.124917998480983
Energy: 5.344714166728686
Energy: 5.131432561316313
Energy: 5.122794911463471
Energy: 5.135883816069166
Energy: 5.122794911463471
Energy: 5.131432561311702
Energy: 5.122794911464624
Energy: 5.041956772084682
Energy: 5.124246984163408
Energy: 5.122592945625865
Energy: 5.1242469841668665
Energy: 5.041956772081224
Energy: 5.1242469841668665
Energy: 5.052655831967172
Energy: 5.121592946488774
Energy: 5.124676428611488
Energy: 5.121592946487622
Energy: 5.052655831967172
Energy: 5.121592946488774
Energy: 5.2240042558138935
Energy: 5.123470929419162
Energy: 5.165877345737756
Energy: 5.123470929414552
Energy: 5.224004255816199
Energy: 5.123470929415705
Energy: 5.1351667392023925
Energy: 5.159614517528236
Energy: 5.121536603139511
Energy: 5.15961451752593
Energy: 5.135166739201241
Energy: 5.159614517527083
Energy: 5.121126709532602
Energy: 5.195311343913169
Energy: 5.1809309444202345
Energy: 5.195311343917781
Energy: 5.121126709532602
Energy: 5.195311343916628
Energy: 5.130000442611971
Energy: 6.084411604515391
Energy: 5.127832769421283
Energy: 6.084411604514238
Energy: 5.130000442611971
Energy: 6.084411604513086
Energy: 5.12335349192156
Energy: 5.330245619867728
Energy: 5.1871755316396255
Energy: 5.3302456198573545
Energy: 5.123353491920408
Energy: 5.330245619845827

minimum gb energy = 5.041956772081224 eV
minimum distance =  1.98121039845233 Angstroms
sigma value = 33


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

Energy: 0.059964346373648884
Energy: 0.06750947219713094
Energy: -4.034138568112927
Energy: 0.06750947219617318
Energy: 0.059964346373648884
Energy: 0.06750947219713094
Energy: 0.060822543926586314
Energy: 2.695570953304286
Energy: 0.060822543926586314
Energy: 2.6955709533005616
Energy: 0.06082254392839542
Energy: 2.695570953301519
Energy: -4.034138568112927
Energy: 0.06750947220266468
Energy: 0.059964346373648884
Energy: 0.06750947219989781
Energy: -4.0341385681158
Energy: 0.06750947219894005
Energy: 0.06082254392839542
Energy: 2.6955709532976884
Energy: 0.060822543926586314
Energy: 2.695570953302371
Energy: 0.060822543926586314
Energy: 2.6955709532976884

minimum gb energy = -4.0341385681158 eV
minimum distance =  2.11744776631751 Angstroms
sigma value = 1