Model name: model_name=EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658403597772121
cohesive_energy=3.8927084027090397
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.72870491344212e-20, 1.88034654119508e-19, 2.46448412018514e-19, 3.0013574884721997e-19, 3.53749385550762e-19, 4.04035301385486e-19, 4.47627323243358e-19, 4.83900602237118e-19, 5.13207617226246e-19, 5.36365478294082e-19, 5.547841008785459e-19, 5.6960423474304595e-19, 5.81623763851314e-19, 5.91429084851394e-19, 5.994543876110999e-19, 6.05988063924552e-19, 6.11212761928026e-19, 6.152774840484839e-19, 6.18321619653084e-19, 6.20518203818298e-19, 6.22025852030892e-19, 6.22975942774854e-19, 6.23475821884662e-19, 6.2363123301816e-19, 6.23448584881884e-19, 6.2283014470116e-19, 6.21650942698536e-19, 6.197635786236839e-19, 6.170014261066679e-19, 6.132331066635e-19, 6.083721027559439e-19, 6.023222837859599e-19, 5.949218299135139e-19, 5.8584389710527e-19, 5.746863390260939e-19, 5.609316526232039e-19, 5.4365858633205e-19, 5.205039296174819e-19, 4.8676529405871e-19, 4.358769598096019e-19, 3.60251018331534e-19, 2.53707874347168e-19, 1.087472583797598e-19, -8.56725502792284e-20, -3.72307397502384e-19, -8.31367853205966e-19, -1.61714096376156e-18, -3.07928735994996e-18, -6.07359527123256e-18, -1.2797401885841339e-17, -2.9464348734586794e-17]
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: 0.014658391202861385
Energy: -5.407864230381303
Energy: -4.2236010372450865
Energy: 0.015197675640591093
Energy: -5.4385707526586735
Energy: 1.0916784401583124
Energy: 0.015197675641169492
Energy: 1.0916784401451451
Energy: -4.227155034055319
Energy: 0.015197675639978672
Energy: 0.014658391202861385
Energy: -5.536742839832722
Energy: 0.015197675639978672
Energy: 1.091678440144567
Energy: -5.443755506674361
Energy: 1.0916784401643005

minimum gb energy = -5.536742839832722 eV
minimum distance =  2.51830278626789 Angstroms
sigma value = 1


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

Energy: 0.33697550518197844
Energy: 0.14762248484975493
Energy: -5.274563632318439
Energy: 0.1446628359424598
Energy: -0.11936597566618924
Energy: 0.1366575272312508
Energy: 0.21196567831646074
Energy: 0.1366575272319935
Energy: 0.07536412186899133
Energy: -0.3135696431258293
Energy: 0.15909342866434192
Energy: -0.3135696431206302
Energy: 0.08001526706176931
Energy: 0.2927677348488916
Energy: 0.2109223715979009
Energy: 0.2927677348503771
Energy: 0.20312368046174428
Energy: 0.3254130303842373
Energy: -0.05674084286879826
Energy: 0.3254130303857228
Energy: 0.12194606790813699
Energy: 0.28755050248436564
Energy: 0.079156874055088
Energy: 0.2875505060464245
Energy: 0.02029422971588571
Energy: 0.4987467414758752
Energy: 0.17550678607366327
Energy: 0.4987467414743898
Energy: 0.15452244219389355
Energy: 0.4353692695666772
Energy: 0.09465496945589319
Energy: 0.4353692696253195
Energy: 0.03189691896614817
Energy: 0.5318158792288251
Energy: 0.001912807215869836
Energy: 0.5318158797032306
Energy: 0.06887349452346288
Energy: 0.5389851781496665
Energy: -0.01988181195113894
Energy: 0.5389851783679296
Energy: 0.0662402439568892
Energy: 0.6631880788319275
Energy: 0.014124690406601642
Energy: 0.6631880788334129
Energy: -0.000689624855016965
Energy: 0.05403497371738927
Energy: -0.05996198273526457
Energy: 0.05403497348575704
Energy: -0.07337279378082245
Energy: 0.5671664209760472
Energy: 0.23157461698380624
Energy: 0.5671664209782754
Energy: 0.2313557116470253
Energy: -0.18416382051729158
Energy: 0.26655815119344534
Energy: -0.18416355560904818
Energy: 0.3050088281329245
Energy: 0.33045467492792197
Energy: 0.04677766944929575
Energy: 0.3304546749308929
Energy: 0.18954830005776463
Energy: 0.2475447363640716
Energy: 0.22429498485511437
Energy: 0.24754406528558062
Energy: -5.184483170801711
Energy: -0.29440952178827723
Energy: 0.20512290020480395
Energy: -0.29440952178902
Energy: 0.22653739078540952
Energy: -0.28527521289080154
Energy: 0.15201957576784308
Energy: -0.2852752129189917
Energy: 0.26455568636338905
Energy: -0.3525059293335416
Energy: 0.07563578761484699
Energy: -0.352505929326857
Energy: 0.06608910150599007
Energy: -4.426020310976698
Energy: 0.07553181915667521
Energy: -4.205266997980023
Energy: -0.050698887062228554
Energy: 0.28864783024780455
Energy: 0.20176678355938069
Energy: 0.2886478303242726
Energy: 0.04478970129031221
Energy: 0.3431999111861691
Energy: 0.24249575454144828
Energy: 0.3431999111861691
Energy: 0.17798013874148116
Energy: 0.5237462848252368
Energy: 0.011870817053896887
Energy: 0.5237462848222657
Energy: 0.1108750666117624
Energy: -0.1197188929891028
Energy: 0.01113718155299967
Energy: -0.11971776080679286
Energy: -0.03789605487732958
Energy: 0.6114755027137654
Energy: 0.02311609544568998
Energy: 0.6114755027085662
Energy: 0.048922982717135965
Energy: -0.025017897183239546
Energy: 0.09237585152971892
Energy: -0.025013495846327498
Energy: 0.0029000109414436927
Energy: 0.6652522329403932
Energy: 0.0647804065144484
Energy: 0.6652522329396504
Energy: -0.06604133844804548
Energy: 0.03650351986019448
Energy: 0.10611827462460031
Energy: 0.036503615125728736
Energy: 0.29517374857325346
Energy: 0.5863348705886028
Energy: -0.07828190132052525
Energy: 0.5863348705819181
Energy: 0.28192885782314603
Energy: 0.22424944219373077
Energy: 0.23639940188119793
Energy: 0.22424943002870018
Energy: 0.026733610481589447
Energy: 0.3315818845412705
Energy: 0.3037133850300057
Energy: 0.3315818845405278
Energy: 0.22570738162954881
Energy: 0.34522295593298086
Energy: 0.1895273835917951
Energy: 0.34522295585354196
Energy: 0.20634272463429526
Energy: -0.3215344540989009
Energy: -0.035902227334162116
Energy: -0.32153445414565945

minimum gb energy = -5.274563632318439 eV
minimum distance =  2.29431881977719 Angstroms
sigma value = 1


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

Energy: 0.35061326579932256
Energy: 0.1810732081235531
Energy: 0.2760420002871325
Energy: 0.22309581159498673
Energy: 0.03766743196687049
Energy: 0.24736577549148264
Energy: -0.02543682060623603
Energy: 0.24736577551096017
Energy: 0.10394031411657023
Energy: 0.05277767256128532
Energy: 0.2705368146134843
Energy: 0.05277767256128532
Energy: 0.15845130108817784
Energy: 0.3603723359152568
Energy: -0.017767392888544477
Energy: 0.3603723359186442
Energy: 0.22840348545439096
Energy: 0.3379201354184493
Energy: 0.2761440668409252
Energy: 0.3379168955119555
Energy: 0.27555709198716893
Energy: 0.4208294375954115
Energy: 0.29923385112642437
Energy: 0.42082943741680334
Energy: 0.22689859084810993
Energy: 0.6302931782608732
Energy: 0.2404256309367616
Energy: 0.6302931782600262
Energy: 0.2052286239419629
Energy: 0.5409196012076982
Energy: 0.16823146458981866
Energy: 0.5409195999523987
Energy: 0.1341210921771069
Energy: 0.7269058284887414
Energy: 0.17550868521121454
Energy: 0.7269058284895882
Energy: 0.24335266025312569
Energy: 0.7168567339606207
Energy: 0.16097051208903307
Energy: 0.7168567339572333
Energy: 0.3542308276861019
Energy: 0.6455349228919655
Energy: 0.08759388671759921
Energy: 0.6455349228843438
Energy: 0.3361723810290811
Energy: 0.3681611390389008
Energy: 0.28551848169620675
Energy: 0.3681611425678357
Energy: 0.22918685859112828
Energy: 0.42970432265296726
Energy: 0.3682809685602707
Energy: 0.429704322654661
Energy: 0.29370348825730824
Energy: 0.4472507982730724
Energy: 0.26551289834117037
Energy: 0.4472507982756129
Energy: 0.29244198976836094
Energy: 0.008454022316932625
Energy: 0.15153730344722696
Energy: 0.008454022313545228
Energy: 0.09420991570198875
Energy: -0.12724305286232024
Energy: 0.28070362292131806
Energy: -0.12723744662718714
Energy: 0.1272585855069262
Energy: -0.03150453406228425
Energy: 0.34915557288617743
Energy: -0.0315045340648248
Energy: 0.09301042747498213
Energy: -0.09153267433223136
Energy: 0.2096783337917991
Energy: -0.09153267429581687
Energy: 0.3298629064708276
Energy: 0.42402309322642023
Energy: 0.2713370354105402
Energy: 0.4240230932289608
Energy: -0.01457151335471854
Energy: 0.35109305864955287
Energy: 0.3074080685298951
Energy: 0.351093053906737
Energy: 0.21957692315530233
Energy: 0.6284599310891537
Energy: 0.25626885687691026
Energy: 0.628459931092541
Energy: 0.07964706067332028
Energy: 0.5563905132471754
Energy: 0.197636739564905
Energy: 0.5563905132006373
Energy: 0.08539927013398428
Energy: 0.722180454178773
Energy: 0.1656248170308693
Energy: 0.7221804541745388
Energy: 0.14736968280396728
Energy: 0.6721178308514583
Energy: 0.1642138309000741
Energy: 0.6721178308726296
Energy: 0.3464480357832613
Energy: 0.637791079039825
Energy: 0.09036167913435145
Energy: 0.6377910790457529
Energy: 0.35441634879559586
Energy: 0.27839637304972314
Energy: 0.289478966088177
Energy: 0.2783963730581916
Energy: 0.22139169721565538
Energy: 0.4427987200973037
Energy: 0.36462921370705415
Energy: 0.4427987200947632
Energy: 0.2872868043209066
Energy: 0.45101645863593437
Energy: 0.2856539459499349
Energy: 0.45101645864440293
Energy: 0.291931927705701
Energy: 0.0045639831177118825
Energy: 0.1536799501545379
Energy: 0.0045639831236398256

minimum gb energy = -0.12724305286232024 eV
minimum distance =  2.26742955509441 Angstroms
sigma value = 25


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

Energy: -2.1062074967398465
Energy: 0.2295174124575354
Energy: 0.40228770493001137
Energy: 0.3800227381457734
Energy: -2.5719853957913053
Energy: 0.3696749268602931
Energy: 0.2959692471263048
Energy: 0.3696749267845359
Energy: 0.2531088931931291
Energy: 0.128307623482234
Energy: 0.4510436693177395
Energy: 0.12830762348321847
Energy: 0.14739718254666964
Energy: 0.4557544288038236
Energy: 0.3405656324610683
Energy: 0.45575442880283923
Energy: 0.3471499139353211
Energy: 0.5448835215883365
Energy: 0.4442821158563757
Energy: 0.5448835394628028
Energy: 0.30044633184912684
Energy: 0.4395100430293575
Energy: 0.31510043451979847
Energy: 0.43951004300966867
Energy: 0.40128470836763913
Energy: 0.7847335250391732
Energy: 0.5003518721960342
Energy: 0.7847335250421265
Energy: 0.33725377488537356
Energy: 0.6450188853840548
Energy: 0.33144773954484613
Energy: 0.6450188853338482
Energy: 0.40426376621778415
Energy: 0.7868610979703007
Energy: 0.29358288272354643
Energy: 0.7868610979683317
Energy: 0.3549233852180075
Energy: 0.7497251001461396
Energy: 0.3295727236447079
Energy: 0.7497251001441706
Energy: 0.3661710404821062
Energy: 0.5629398473921414
Energy: 0.43223834634784725
Energy: 0.5629398473763905
Energy: 0.3703990808575799
Energy: 0.5162519149639239
Energy: 0.3534831098065284
Energy: 0.5162519149668774
Energy: 0.10759508818148995
Energy: 0.15826243427601935
Energy: 0.37724031519467766
Energy: 0.15826243427601935
Energy: 0.3397415499522954
Energy: 0.31079789338044844
Energy: 0.25479747009538894
Energy: 0.3107978944707179
Energy: 0.3902767149965397
Energy: 0.10012226207676374
Energy: 0.1380092712788383
Energy: 0.10012226157689101
Energy: -2.5735931790964757
Energy: 0.13461469845042262
Energy: 0.2282103991808682
Energy: 0.13461469851731991
Energy: 0.437394248420212
Energy: 0.5263477885322265
Energy: 0.35196763486511684
Energy: 0.5263477885273042
Energy: 0.4266051838785665
Energy: 0.5207379333433545
Energy: 0.2913523584758809
Energy: 0.520738325496802
Energy: 0.43701215282339906
Energy: 0.7888747524963466
Energy: 0.4002768730837091
Energy: 0.7888747524973311
Energy: 0.3269211235883405
Energy: 0.7592183529173753
Energy: 0.3878736992665165
Energy: 0.7592183529183597
Energy: 0.28518005725021917
Energy: 0.7826175221427568
Energy: 0.4051343453976864
Energy: 0.7826175221427568
Energy: 0.2816244869200263
Energy: 0.7505880591967943
Energy: 0.26094599211393216
Energy: 0.7505880592086077
Energy: 0.43364682064493776
Energy: 0.58110057193714
Energy: 0.366775081018012
Energy: 0.5811005719381245
Energy: 0.3487421647748593
Energy: 0.5520167317937703
Energy: 0.36751272846237715
Energy: 0.5520167317918014
Energy: 0.3783726679546595
Energy: 0.22917402008163468
Energy: 0.24960755647154695
Energy: 0.22917402008163468

minimum gb energy = -2.5735931790964757 eV
minimum distance =  2.2706862269498 Angstroms
sigma value = 9


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

Energy: 0.5551455037523685
Energy: 0.32750861100106265
Energy: 0.39929115871269166
Energy: 0.49417671688397274
Energy: -1.2076913540354808
Energy: 0.5267477893855685
Energy: 0.4460988592641912
Energy: 0.5267477893796967
Energy: 0.3240317490063572
Energy: 0.2766139744045375
Energy: 0.4061206788631454
Energy: -1.2353845473476333
Energy: 0.31529195840072594
Energy: 0.6773742381749911
Energy: 0.44340901875175087
Energy: 0.677374238227811
Energy: 0.6050061742326228
Energy: 0.6967707584712188
Energy: 0.5543673095865113
Energy: 0.696770775317103
Energy: 0.3962871927387392
Energy: 0.6739532961481423
Energy: 0.4465220919660907
Energy: 0.6739532961540141
Energy: 0.6683805870732066
Energy: 0.8842631184424159
Energy: 0.5738357074779565
Energy: 0.8842631184435902
Energy: 0.43809781020507194
Energy: 0.8656376827007187
Energy: 0.39190859350717433
Energy: 0.8656376830340792
Energy: 0.5662846633090701
Energy: 0.6971062286621574
Energy: 0.46742142119567925
Energy: 0.6971062286868192
Energy: 0.44607171224546244
Energy: 0.7039921806546618
Energy: 0.469875919995498
Energy: 0.7039921806745995
Energy: 0.5031788020037631
Energy: 0.2899474725479249
Energy: 0.34088435261666056
Energy: 0.28994747256084297
Energy: 0.3394865649607579
Energy: -1.308178974458557
Energy: 0.31966517463282706
Energy: -1.241076774444344
Energy: 0.3335701286603236
Energy: 0.30879267904002644
Energy: -1.3780611080792478
Energy: 0.30879267904002644
Energy: 0.32125920430226845
Energy: 0.2702258538772783
Energy: 0.4141667709661699
Energy: 0.2702279958647038
Energy: 0.6033000583285978
Energy: 0.6988990345650661
Energy: 0.5529516549649852
Energy: 0.6988990345474506
Energy: 0.3841954396252227
Energy: 0.6718898977078099
Energy: 0.44816418527944213
Energy: 0.671889893658028
Energy: 0.6569323926637978
Energy: 0.871533123080072
Energy: 0.5691984659784243
Energy: 0.8715331230659797
Energy: 0.6700566133112945
Energy: 0.8860237692795817
Energy: 0.3957907287815126
Energy: 0.8860237692772328
Energy: 0.5659896322575939
Energy: 0.701231845793931
Energy: 0.4734541021965005
Energy: 0.7012318457951054
Energy: 0.5863774168058008
Energy: 0.6971611348172874
Energy: 0.47477097750868835
Energy: 0.6971611348231591
Energy: 0.48192800773459643
Energy: 0.3248191291116963
Energy: 0.34606166185207604
Energy: 0.32481912911521943

minimum gb energy = -1.3780611080792478 eV
minimum distance =  2.29047601311008 Angstroms
sigma value = 25


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

Energy: 0.9119383863594481
Energy: 0.5466437900477328
Energy: 0.667582902241909
Energy: 0.6878868017310942
Energy: 0.5304791451757856
Energy: 0.7023704626523868
Energy: 0.5368021778312472
Energy: 0.7023704626538391
Energy: 0.5707499469445787
Energy: 0.5277302493762417
Energy: 0.6000978796593608
Energy: 0.5277302493965743
Energy: 0.571564674287761
Energy: 0.7091501017859677
Energy: 0.7010975507520923
Energy: 0.7091501017845153
Energy: 0.8055487207230172
Energy: 0.8708407036023353
Energy: 0.6912222371388603
Energy: 0.8708407035994307
Energy: 0.5717088201846913
Energy: 0.8651547214377322
Energy: 0.6973139993237537
Energy: 0.8651547214391847
Energy: 0.6978024795919595
Energy: 0.8563435202373709
Energy: 0.6960844261385409
Energy: 0.8563435202184907
Energy: 0.7058582828580188
Energy: 0.8545854644267041
Energy: 0.6570368039720619
Energy: 0.8545854644426797
Energy: 0.5583838423971514
Energy: 0.540573020470506
Energy: 0.4612426269784369
Energy: 0.5405730204719583
Energy: 0.5614633368624328
Energy: 0.5348460293892635
Energy: 0.456664022786803
Energy: 0.5348460293370125
Energy: 0.6029924335977919
Energy: 0.7126393067256368
Energy: 0.5732297695023193
Energy: 0.7126393067067566
Energy: 0.6016033528561849
Energy: 0.53684696041224
Energy: 0.5815150978208194
Energy: 0.5368469604369298
Energy: 0.6946702129261471
Energy: 0.8573576459466664
Energy: 0.8038822186983193
Energy: 0.8573576459437948
Energy: 0.6916310547533157
Energy: 0.8698046719783616
Energy: 0.565720670081651
Energy: 0.8698046719783616
Energy: 0.6957304668117904
Energy: 0.8585903535812685
Energy: 0.7074948238907219
Energy: 0.8585903535798161
Energy: 0.6900725609780134
Energy: 0.856500613376408
Energy: 0.7103066627801067
Energy: 0.8565006133778603
Energy: 0.4540285986860985
Energy: 0.5299841182036648
Energy: 0.569298445303089
Energy: 0.5299841172455534

minimum gb energy = 0.4540285986860985 eV
minimum distance =  2.3013543573401 Angstroms
sigma value = 17


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

Energy: 0.5148095919703248
Energy: -0.052943782706926644
Energy: 0.5767645423608447
Energy: 0.5214440311593624
Energy: 0.1655607406004215
Energy: 0.6046042635831919
Energy: 0.2455201484005666
Energy: 0.6046042635823693
Energy: 0.5947236405304175
Energy: 0.6000017755247867
Energy: 0.46761723162853835
Energy: 0.6000017755256093
Energy: 0.5978477590414875
Energy: 0.7536800522723492
Energy: 0.5761225104476408
Energy: 0.7536800522106594
Energy: 0.1214217230148627
Energy: 0.9307725272426063
Energy: 0.6583737902486125
Energy: 0.9307725272417838
Energy: 0.5767493247687371
Energy: 1.0279294940081714
Energy: 0.5892793534023414
Energy: 1.0279294940081714
Energy: 0.5071545117739161
Energy: 0.5939101969245565
Energy: 0.6027732766463433
Energy: 0.5939101969212665
Energy: 0.44076641823735974
Energy: 0.5950868291122435
Energy: 0.5309118832045718
Energy: 0.595086829111421
Energy: 0.5023890618482272
Energy: 0.40715805880691125
Energy: 0.5537139891680943
Energy: 0.4071580571107747
Energy: 0.5127520420746087
Energy: 0.4321228266807086
Energy: 0.5458574784563669
Energy: 0.43212282668728885
Energy: 0.6140881585995608
Energy: 0.8688297901256093
Energy: 0.6089737176329608
Energy: 0.8688297901272545
Energy: 0.6074325636289014
Energy: 0.8085879865802069
Energy: 0.6555125658440194
Energy: 0.8085879865744492
Energy: 0.5948698866620539
Energy: 0.8572027655044615
Energy: 0.6780943444736736
Energy: 0.8572027655102193
Energy: 0.5023963820880143
Energy: 0.795905280627622
Energy: 0.5764677709782254
Energy: 0.7959052922522477
Energy: 0.43838145356535585
Energy: 0.17256542861314825
Energy: 0.5402224319320145
Energy: 0.17256542863535662
Energy: 0.47776646459924393
Energy: 0.07898736993236134
Energy: 0.524150484440946
Energy: 0.07898736992746355
Energy: 0.5727751358064613
Energy: 0.5797478622837694
Energy: 0.5396486941709933
Energy: 0.5797480551773706
Energy: 0.520086733953468
Energy: 0.5982334407760344
Energy: 0.6041830986523954
Energy: 0.5982334407743893
Energy: 0.5927913934147697
Energy: 0.9532035877522029
Energy: 0.5975281921006973
Energy: 0.9532035877144038
Energy: 0.749731083006661
Energy: 0.9806232607301254
Energy: 0.6004617254383176
Energy: 0.9806232607293404
Energy: 0.6549216667499681
Energy: 0.5756430624123494
Energy: 0.5541662283499
Energy: 0.5756430624057691
Energy: 0.536777999482456
Energy: 0.4869833848157813
Energy: 0.5087795168311545
Energy: 0.4869833848848366
Energy: 0.5447408808787091
Energy: 0.12308332810109582
Energy: 0.48867072492328834
Energy: 0.12308332811343381
Energy: 0.5482114815337142
Energy: 0.4995802193708896
Energy: 0.5605542144767649
Energy: 0.4995802193717121
Energy: 0.5751539373030898
Energy: 0.9379111663878256
Energy: 0.5391225573209982
Energy: 0.9379111663804228
Energy: 0.6427120310720609
Energy: 0.8081327372538945
Energy: 0.6082605780010906
Energy: 0.8081327371387773
Energy: 0.6021401312727702
Energy: 0.9757054219679379
Energy: 0.5766791296463062
Energy: 0.9757054219687604
Energy: 0.5976609085682694
Energy: 0.8353217454418209
Energy: 0.47927275344838755
Energy: 0.8353217454418209
Energy: 0.2960697965421277
Energy: 0.8341594447136391
Energy: 0.605579601246633
Energy: 0.8341594447021237
Energy: 0.5172153809820978
Energy: 0.08617519045249579
Energy: 0.08170619112164851
Energy: 0.08617519048375201

minimum gb energy = -0.052943782706926644 eV
minimum distance =  2.25633221787701 Angstroms
sigma value = 53


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

Energy: 1.3266317401323295
Energy: 0.6987187845644542
Energy: 0.8504371655166879
Energy: 0.7843877969330759
Energy: 0.680250318544574
Energy: 0.7114649277601317
Energy: 0.7014066153069626
Energy: 0.7114649278264081
Energy: 0.7143119203331431
Energy: 0.7221387144042131
Energy: 0.7967838331612023
Energy: 0.7221387144042131
Energy: 0.7186824759605049
Energy: 0.7996816802171192
Energy: 0.695130439583952
Energy: 0.7996816802171192
Energy: 0.6876323769898486
Energy: 0.7980702597172443
Energy: 0.8283658582432547
Energy: 0.798070259719138
Energy: 0.6758041974296113
Energy: 0.8353436374210118
Energy: 0.7871430450981797
Energy: 0.8353436374229055
Energy: 0.6659269675733598
Energy: 0.68612921890621
Energy: 0.7294777136638132
Energy: 0.68612921890621
Energy: 0.667970132278973
Energy: 0.7066705870444016
Energy: 0.7058246000361366
Energy: 0.7066705875345888
Energy: 0.7119075714329435
Energy: 0.7089115583300379
Energy: 0.7947414805225068
Energy: 0.7089115583376124
Energy: 0.7465067969526387
Energy: 0.7128200920418691
Energy: 0.6948309862633615
Energy: 0.7128200920418691
Energy: 0.7193773719687883
Energy: 0.8348192157980914
Energy: 0.7881644145530358
Energy: 0.8348192157999851
Energy: 0.7148148223551698
Energy: 0.7956562070872453
Energy: 0.8599023698084934
Energy: 0.7956562070891389
Energy: 0.6680417395754252
Energy: 0.6979788588993336
Energy: 0.7387117750022911
Energy: 0.697978859101864

minimum gb energy = 0.6659269675733598 eV
minimum distance =  2.31759579828234 Angstroms
sigma value = 9


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

Energy: 0.6446378055292554
Energy: 0.4094567224822216
Energy: 0.682033070362918
Energy: 0.5381396397288921
Energy: 0.5917765653061087
Energy: -0.06591677755742525
Energy: 0.5686994979300272
Energy: -0.1784780576402148
Energy: 0.6129213898602005
Energy: 0.6025890416013643
Energy: 0.46963156249580945
Energy: 0.6025890415901506
Energy: 0.5993007308999581
Energy: 0.6020977293692518
Energy: 0.5599088596045846
Energy: 0.6020977293755595
Energy: 0.6267885056903865
Energy: -0.48969853456993573
Energy: 0.147531573280513
Energy: -0.48965102860887966
Energy: 0.5552764948310717
Energy: 0.8910822736680126
Energy: -0.25326613796178554
Energy: 0.8910822736638074
Energy: 0.611579246649818
Energy: 0.4486657035790698
Energy: 0.5366847077535839
Energy: 0.4486657035790698
Energy: 0.6654338251014443
Energy: 0.46161523410521466
Energy: 0.5691483402159941
Energy: 0.4616152341024112
Energy: 0.6080923466426293
Energy: 0.9163746296019368
Energy: 0.6205892326563768
Energy: 0.9163746268852233
Energy: 0.8555376627004689
Energy: 0.840039070543287
Energy: 0.47501984866789054
Energy: 0.8400390732011285
Energy: 0.6361477459265608
Energy: -0.46438014755069784
Energy: 0.6646370495822519
Energy: -0.4643802084147893
Energy: 0.6228884404100782
Energy: 0.5494002935920269
Energy: 0.4687835893377501
Energy: 0.5494002936137534
Energy: 0.6203954982560531
Energy: -0.4391525143669056
Energy: 0.5642968567779713
Energy: -0.4391525132775825
Energy: 0.021355899367492624
Energy: -0.5220684391507451
Energy: 0.6061853706348663
Energy: -0.5220684421630928
Energy: 0.573903159981784
Energy: 0.8729604781917276
Energy: 0.6132416103905177
Energy: 0.872960478194531
Energy: 0.5459640063888692
Energy: 1.0004420300403831
Energy: 0.5694756802361614
Energy: 1.0004420300375796
Energy: -0.039998496872569164
Energy: 1.0923360899439116
Energy: 0.5949180185039097
Energy: 1.0923360899432106
Energy: 0.050439188317761674
Energy: -0.05136763511145318
Energy: 0.6402872763230203
Energy: -0.05136764503189499
Energy: 0.5556377879010853
Energy: -0.11472139851833724
Energy: 0.6911929453980612
Energy: -0.23368175523263648
Energy: 0.38917719588314986
Energy: 0.6037196664055947
Energy: 0.6044231655229377
Energy: 0.6037196665162665
Energy: 0.581205538102656
Energy: 0.6044108697289395
Energy: -0.06339222799838203
Energy: 0.6044108697303411
Energy: 0.018211808634171458
Energy: -0.2766371505228766
Energy: -0.4391897897918415
Energy: -0.27753047242579426
Energy: -0.11729173722774645
Energy: 0.7737677511134851
Energy: 0.5958258597807411
Energy: 0.773767771933721
Energy: 0.5611074827817036
Energy: -0.059963263950466764
Energy: 0.6266375623236535
Energy: -0.059963263935748766
Energy: 0.5550059261336797
Energy: -0.19999127012369258
Energy: 0.6442015902083459
Energy: -0.19999127012229087
Energy: 0.6078447303167964
Energy: 0.9424677300036124
Energy: 0.5998730771707856
Energy: 0.9424677331560678
Energy: 0.4788245053831825
Energy: 0.9475508221370321
Energy: 0.739284850478875
Energy: 0.9475508221356305
Energy: 0.6651597079553835
Energy: 0.9079325628678052
Energy: 0.6410984799206263
Energy: 0.9079325628657028
Energy: 0.46304193320188436
Energy: -0.2654569726546503
Energy: 0.5901855848470476
Energy: -0.2654569691743211
Energy: -0.33029527814833054
Energy: -0.4623999971607677
Energy: 0.6231976094263266
Energy: -0.4623999976889591
Energy: 0.5990705418084303
Energy: -0.44462436387755877
Energy: 0.6052772869514896
Energy: -0.444624401029614
Energy: 0.6163783905704541
Energy: 0.8413824953407985
Energy: -0.09219337920044185
Energy: 0.8413824953358926
Energy: 0.5644508688639175
Energy: 0.9965257634292245
Energy: 0.5425554901764241
Energy: 0.996525763431327
Energy: 0.6115743550805465
Energy: 1.0957721291868043
Energy: 0.6246639540015761
Energy: 1.0957721291882059
Energy: 0.6447823598527123
Energy: -0.12914732478395227
Energy: 0.051330641379737786
Energy: -0.17053069771711798

minimum gb energy = -0.5220684421630928 eV
minimum distance =  2.23865286581571 Angstroms
sigma value = 73


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

Energy: 0.6166600941464148
Energy: -0.2911209639027463
Energy: -0.18733793479455538
Energy: 0.6032832225990162
Energy: 0.5180687100912579
Energy: 0.6873804434475315
Energy: 0.5306771435749564
Energy: 0.6964179868472683
Energy: 0.5480998556421127
Energy: 0.5279446310535636
Energy: 0.6087154997872012
Energy: 0.527944631415888
Energy: 0.5319308840700095
Energy: 0.5320030913340734
Energy: 0.5294439602342444
Energy: 0.5320030913362973
Energy: 0.5293277466154284
Energy: 0.8954704519226506
Energy: 0.4755045098380357
Energy: 0.8954704519215638
Energy: 0.5418419587057838
Energy: 0.9022690309884408
Energy: 0.4980029302946808
Energy: 0.9022690310050949
Energy: 0.5908942431576241
Energy: 0.7535195133375673
Energy: 0.6186759180149944
Energy: 0.7535195133308955
Energy: 0.5907135151668331
Energy: 0.5633717534606796
Energy: 0.645607043923723
Energy: 0.5633717534684382
Energy: 0.5959777319952388
Energy: 0.9937888182472765
Energy: 0.4230220737311825
Energy: 0.9937888182428286
Energy: 0.7173806397799666
Energy: 0.8943588891432714
Energy: 0.5700081508778799
Energy: 0.8943588368773553
Energy: 0.5750912157486957
Energy: 0.6052448872215169
Energy: 0.5580646837710114
Energy: 0.6052448872304126
Energy: 0.6031141626693641
Energy: 0.6092876804606043
Energy: 0.6394753320637026
Energy: 0.6092876804306067
Energy: 0.6118101112108538
Energy: 0.7889192156232151
Energy: 0.6100855754803947
Energy: 0.7889192156232151
Energy: 0.6141854086708806
Energy: 0.7637833086652451
Energy: 0.6271834774025492
Energy: 0.763783308669693
Energy: 0.686628692643825
Energy: 0.7584284009040478
Energy: 0.5687155545069786
Energy: 0.7584284005306038
Energy: 0.4477200134406389
Energy: 0.8311365191230539
Energy: 0.5585355771825488
Energy: 0.8311374791171077
Energy: 0.5624844933561852
Energy: 1.0314787763841606
Energy: 0.6221863704758684
Energy: 1.0314787763808244
Energy: 0.35304324882418464
Energy: 0.3500535094334442
Energy: 0.5844032771766958
Energy: 0.3500535094378921
Energy: 0.6149749710419555
Energy: 0.8331341888589058
Energy: 0.6007263193389509
Energy: 0.8331341889144789
Energy: 0.48147647869251636
Energy: 0.8085733277752737
Energy: 0.5296043511023978
Energy: 0.8085733277675152
Energy: 0.519653547768498
Energy: 0.757761566272672
Energy: 0.5819703662028586
Energy: 0.7577615662748959
Energy: 0.6948542435678384
Energy: 0.5150837842240232
Energy: 0.5538813060422857
Energy: 0.5150837841562186

minimum gb energy = -0.2911209639027463 eV
minimum distance =  2.25162895693606 Angstroms
sigma value = 7


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

Energy: 0.08475677170957571
Energy: -0.1034745906156153
Energy: -0.10985216073327338
Energy: 0.06466333695605468
Energy: -0.3670046698090534
Energy: 1.0382510179432012
Energy: -0.1330553571004975
Energy: 1.0382510179353384
Energy: 0.07431913050512731
Energy: 0.09010189548683357
Energy: 0.08343385302934363
Energy: 0.0901017720179388
Energy: 0.5732830137243401
Energy: -0.010968588999737707
Energy: 0.10610579780640458
Energy: -0.010968663860406205
Energy: -0.0004940284067821772
Energy: 0.012856685719719582
Energy: 0.6120623076708652
Energy: 0.012856685711070508
Energy: -0.2594722354105357
Energy: 0.7955338467785565
Energy: 0.6176125690080968
Energy: 0.7955338467730526
Energy: 0.21709870204629794
Energy: 0.21443146005864955
Energy: -0.33948543678980003
Energy: 0.0961824768702585
Energy: 0.11172171594803361
Energy: -0.07014116967045488
Energy: 0.491828787875631
Energy: 0.042602988083518076
Energy: -0.11753837899289178
Energy: -0.23097606823487227
Energy: 0.5579667689779169
Energy: -0.23097606996315032
Energy: -0.11268884140628965
Energy: 0.9773480709514681
Energy: -0.33320854918947734
Energy: 0.9773480709498954
Energy: 0.19413288979166168
Energy: 0.78862979759643
Energy: 0.13295879639253744
Energy: 0.7886297976003614
Energy: -0.06279737897470111
Energy: -0.05674926975463546
Energy: 0.41694181469246533
Energy: -0.05674926975463546
Energy: -0.10087803117657775
Energy: 0.751735524831878
Energy: -0.31806383646865716
Energy: 0.7517355241268713
Energy: -0.057989668931400916
Energy: -0.02188794244993515
Energy: -0.3030059104663423
Energy: -0.021887942324201912
Energy: -0.3837833828621119
Energy: 0.8120226128544602
Energy: -0.13883651517999296
Energy: 0.812022612885125
Energy: 0.5447737581720951
Energy: -0.06002008309731473
Energy: -0.06041138476662065
Energy: -0.06002008309810101
Energy: 0.13320262320062173
Energy: 1.000355732660692
Energy: 0.1616205086288243
Energy: 1.0003557326622647
Energy: -0.0020324300713443796
Energy: 1.0009097324327423
Energy: 0.2292819111721217
Energy: 1.0009097323997185
Energy: -0.0704392747818767
Energy: -0.007993482107345774
Energy: -0.10242219801229677
Energy: -0.007993451343696528
Energy: 0.013336601391912496
Energy: 0.002368395344841735
Energy: -0.09493455101920371
Energy: 0.0023683610916484213
Energy: -0.23144869335507676
Energy: 0.8480871085998303
Energy: 0.1438252481797756
Energy: 0.8480871086045478
Energy: 0.10922705943083272
Energy: 0.8562037449688681
Energy: -0.2196401143383485
Energy: 0.8562037449696543
Energy: 0.2166945774691991
Energy: 0.10325949449072469
Energy: -0.07086273005337514
Energy: 0.10322904680703077
Energy: -0.055221967507558076
Energy: -0.020629055604646968
Energy: 0.5850937523488664
Energy: -0.020629055500143274
Energy: -0.0960734565945388
Energy: -0.022232140221403553
Energy: 0.11504931729911265
Energy: -0.022232140226121227
Energy: -0.16455885216411767
Energy: 1.0232573423737485
Energy: -0.2711736459777099
Energy: 1.0232573423745348
Energy: -0.2251175075436421
Energy: -0.21828243586057391
Energy: 0.26610452303655413
Energy: -0.21828243579534848
Energy: -0.3489758084239831
Energy: 0.9855872968536882
Energy: -0.27053065704124196
Energy: 0.985587296850543
Energy: 0.02562467376740911
Energy: -0.31279710703190144
Energy: -0.11720469511130488
Energy: -0.3127971070216798
Energy: -0.31091461579964985
Energy: 0.8323876284714539
Energy: 0.584060782624247
Energy: 0.8323876294994784
Energy: 0.7699421460591599
Energy: -0.06386926856895654
Energy: -0.3148494259572903
Energy: -0.06386926857446047

minimum gb energy = -0.3837833828621119 eV
minimum distance =  2.23670495061914 Angstroms
sigma value = 29


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

Energy: 0.9349995401587379
Energy: 0.9551305376945093
Energy: -0.2207484810658921
Energy: 0.24262247637403833
Energy: 0.04276164202385067
Energy: -0.1423054035844751
Energy: -0.24771334055388602
Energy: -0.14230540284541582
Energy: -0.22670909470510903
Energy: -0.1440334834672752
Energy: 0.7806365601719729
Energy: -0.14403351981796778
Energy: 0.6081534420400478
Energy: -0.009526768016161135
Energy: -0.24295781240696204
Energy: 0.034418402467164794
Energy: 0.03954287444818915
Energy: -0.23026645309783808
Energy: 0.6003239445311599
Energy: -0.27199830889199494
Energy: 0.06834395273481726
Energy: -0.15925428059635896
Energy: 0.5989827885978011
Energy: -0.16999452497519071
Energy: 0.7809683951405034
Energy: -0.19681431038459224
Energy: -0.21314854671289737
Energy: -0.19594599505130889
Energy: -0.2923213675849181
Energy: -0.1738900608937511
Energy: 0.6096005328172214
Energy: -0.17389006371776325
Energy: 0.6084422181863891
Energy: -0.14153146201587374
Energy: -0.1898660754946772
Energy: -0.1415315166744266

minimum gb energy = -0.2923213675849181 eV
minimum distance =  2.27204065337996 Angstroms
sigma value = 5


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

Energy: 0.534377473325961
Energy: -1.0679461429845707
Energy: -0.44843167601841527
Energy: -0.043727751018445844
Energy: -0.2884657810861023
Energy: -0.3131990472013453
Energy: -0.4879732222887887
Energy: -0.313199050128669
Energy: 0.2844814246217643
Energy: 0.15803144385668658
Energy: -0.1529608477979798
Energy: 0.15803294281498498
Energy: -0.14258770310448746
Energy: -0.4272920000881193
Energy: -0.2628106944408378
Energy: -0.3587274923708795
Energy: -0.10069176173395798
Energy: -0.33862361249876693
Energy: 0.2742088497948977
Energy: -0.33862361250248063
Energy: -0.3263481160881939
Energy: -0.283399780054906
Energy: 0.2753833266702708
Energy: -0.2833997838864766
Energy: -0.3562470731884654
Energy: -0.11162101636192759
Energy: -0.267881152775933
Energy: -0.11162085797260855
Energy: -0.3518126989139377
Energy: 0.7915482185880642
Energy: 0.2443631088716059
Energy: 0.7915482185895497
Energy: -0.04495553951583845
Energy: 0.6458403173718054
Energy: -0.1487652886116573
Energy: 0.6458403170874726
Energy: 0.3783210746365451
Energy: -0.44582287518383634
Energy: -0.4564377689349897
Energy: -0.44582343757113746
Energy: -0.25594321991290697
Energy: -0.4752208069791069
Energy: 0.0195533197903566
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Energy: -0.2505774474586037
Energy: -0.3263555498554123
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Energy: -0.26182192226550566
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Energy: -0.31437224235454814
Energy: -0.34051199528960313
Energy: -0.20264532320771592
Energy: -0.3405119952621557
Energy: -0.004222547001443118
Energy: 0.4000327411505545
Energy: 0.28672476879272635
Energy: 0.40003275311443875
Energy: -0.18265990410677907
Energy: 0.40285769622467354
Energy: -0.08830404785451758
Energy: 0.40285759688260103
Energy: 0.2715392215733034
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Energy: -0.14375003407138745
Energy: -0.31086163837352204
Energy: 0.2717775575537103
Energy: -0.28082324036529577
Energy: 0.1336423492639949
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Energy: -0.2413072012877266
Energy: -0.2959953597303095
Energy: -0.3050197342998945
Energy: -0.29595716988795345
Energy: -0.18825396463383462
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Energy: -0.26761234459928146
Energy: 0.22168952281723775
Energy: 0.04671496337984938
Energy: 0.09667781538344956
Energy: 0.028681390652903902
Energy: 0.09668582289230372
Energy: -0.44259557002482164
Energy: -0.4431982433398119
Energy: 0.23487034617172048
Energy: -0.4258201246598326
Energy: -0.2804930657451393
Energy: -0.5066505999502746
Energy: -0.2749215159277372
Energy: -0.4980872968943828
Energy: 0.2087091528802604
Energy: -0.371861886648602
Energy: -0.14142567752269472
Energy: -0.37230585145082185
Energy: -0.22426600791122123
Energy: -0.2560448378472686
Energy: 0.29020279951888056
Energy: -0.23773916386150343
Energy: 0.08973939101183163
Energy: 0.041270191518975805
Energy: -0.29136219999030183
Energy: 0.041261019014190305
Energy: 0.022309984367660417
Energy: -0.29480447504287277
Energy: -0.35567489890101067
Energy: -0.2948044726174358
Energy: -0.22895122282907263
Energy: -0.3532115666152336
Energy: -0.35052044761433004
Energy: -0.3532115672054384
Energy: 0.15857885272654523
Energy: -0.41356704314571263
Energy: -0.36775296030018545
Energy: -0.4133727301952898

minimum gb energy = -1.0679461429845707 eV
minimum distance =  2.22449439002734 Angstroms
sigma value = 1


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

Energy: 0.6515631800106549
Energy: -0.1828731531518416
Energy: -0.14683781134401805
Energy: 0.0561266282611
Energy: 0.42686081482574983
Energy: 0.016013325231044987
Energy: -0.11376972367415938
Energy: 0.01601332533061296
Energy: -0.02606715397123962
Energy: 0.426246761858778
Energy: -0.29762600099982833
Energy: 0.42624672944807335
Energy: -0.023251283903924003
Energy: -0.4124841733488024
Energy: -0.013948071348341154
Energy: -0.3935616082391497
Energy: 0.0366890211125798
Energy: -0.13511060160986807
Energy: 0.22402468955271312
Energy: -0.1351106007219253
Energy: -0.23156460331010925
Energy: -0.17415398057987388
Energy: 0.19937409316933985
Energy: -0.17415398082419584
Energy: -0.3666583329268213
Energy: -0.19620277567001174
Energy: -0.1353374007651752
Energy: -0.19620230776912376
Energy: -0.2797273238571779
Energy: -0.3484252577319733
Energy: 0.17835329375302225
Energy: -0.3278350662529437
Energy: 0.039405018823508005
Energy: 0.161987945509509
Energy: 0.26604878126318715
Energy: 0.1619885412054901
Energy: 0.3246289341767297
Energy: -0.20325603422108363
Energy: -0.1630822466302551
Energy: -0.2036468081028024
Energy: 0.03731373086280293
Energy: -0.26178363118463416
Energy: -0.25282975802480606
Energy: -0.25950000813091556
Energy: 0.41703625140056844
Energy: -0.06070412093968628
Energy: -0.03915673678554769
Energy: -0.06070412093352455
Energy: 0.8818438545750784
Energy: -0.1556846100280011
Energy: -0.08710152598385999
Energy: -0.15568460999107742
Energy: -0.07950551061128752
Energy: -0.3940534047186582
Energy: -0.29094772785590456
Energy: -0.38658961658587593
Energy: 0.00737138651964012
Energy: -0.02125995412210868
Energy: -0.23922749453877862
Energy: -0.021259954163186885
Energy: -0.03616281548501067
Energy: 0.13455197956159592
Energy: -0.18155479623580476
Energy: 0.1309759525376303
Energy: -0.06767778057725846
Energy: -0.32662187648791857
Energy: 0.22941793863367776
Energy: -0.32662186704922047
Energy: -0.31601704505375117
Energy: -0.17101683592048342
Energy: 0.20102901226066663
Energy: -0.17101630299494225
Energy: -0.19183138179200476
Energy: -0.17355334165521438
Energy: -0.03221159258770006
Energy: -0.17355334164597175
Energy: 0.0034975781576336456
Energy: -0.12685729061031972
Energy: 0.21713518799194706
Energy: -0.12686628184525695
Energy: 0.27272455676945534
Energy: 0.234636456968809
Energy: 0.05541356295830187
Energy: 0.2346307403833964
Energy: 0.6063250377608564
Energy: -0.054418005942451476
Energy: -0.06932499856557461
Energy: -0.05441800411223067
Energy: -0.19896331583021692
Energy: -0.012308314136950596
Energy: -0.04067727792621302
Energy: -0.012308314077433876
Energy: 0.892817927656441
Energy: -0.4360652535035599
Energy: -0.20606133285935865
Energy: -0.4360626756632741

minimum gb energy = -0.4360652535035599 eV
minimum distance =  2.21482852323481 Angstroms
sigma value = 17


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

Energy: -0.22719976768703576
Energy: -1.0022766800331862
Energy: -0.9560508841662516
Energy: -0.9264509803489199
Energy: -0.9996083530893279
Energy: -0.7178309416861538
Energy: -0.8304497580275053
Energy: -0.7195183633372647
Energy: -0.5966549309935959
Energy: -0.986079042748297
Energy: -0.7963607295715353
Energy: -0.9722960743759557
Energy: -0.4232941597099947
Energy: -0.3877796120683409
Energy: -0.8941590384249605
Energy: -0.38732869878610426
Energy: -0.1645628568609616
Energy: -0.9934856359455647
Energy: 0.2607027742452996
Energy: -0.9934856424995447
Energy: -1.028247068759091
Energy: -1.062979372414993
Energy: -0.37922056329952836
Energy: -1.062979370844069
Energy: -0.9065062378388389
Energy: -1.0194985684528761
Energy: -1.0276047189698874
Energy: -1.0194965033076742
Energy: -0.7308926993384066
Energy: -0.9934851844289085
Energy: -0.19017249396507482
Energy: -0.993488645813809
Energy: -0.52265689797536
Energy: -0.7575653983988329
Energy: -0.7003188670876217
Energy: -0.6481911728315498
Energy: -0.23420531050680424
Energy: -0.8724823117919411
Energy: -0.3962158449377261
Energy: -0.9145699305022692
Energy: -0.09673653379140353
Energy: -0.7979630967468146
Energy: -0.6985772530389225
Energy: -0.6506235779259605
Energy: -0.2876924350982679
Energy: -0.8135758491765384
Energy: -0.26905711510190633
Energy: -0.8135758492424937
Energy: -0.27535210423146017
Energy: -1.003372892880756
Energy: -0.9817887277217164
Energy: -1.024255727508786
Energy: -0.8106409156391398
Energy: -0.7449221953356725
Energy: -0.8053827523762623
Energy: -0.7448853299781357
Energy: 0.09027537753650354
Energy: -0.704098996197597
Energy: -0.962467855886562
Energy: -0.8744265893503735
Energy: -0.7135397193396876
Energy: -0.7189960318268698
Energy: -0.8266168499586733
Energy: -0.7189968638827368
Energy: -0.7819166070427119
Energy: -0.8802392840074719
Energy: -0.36869145732130876
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Energy: -0.8297513954942249
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Energy: -0.926898594093498
Energy: -0.8937350731609517
Energy: -0.9629142796347142
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Energy: -0.8347622024415299
Energy: -0.5538265456999198
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Energy: -0.45139035223437923
Energy: -0.9814958147687713
Energy: -0.6485956191093141
Energy: -0.7456867611285511
Energy: -0.982387130558395
Energy: -0.7456867609908703
Energy: -0.5120196563036378
Energy: -0.3459538376321412
Energy: -0.5099590747024392
Energy: -0.345954350054245
Energy: -0.9297283213144196
Energy: -0.6034809251104788
Energy: -0.470027677028605
Energy: -0.7874012792633611
Energy: -0.2239416779139338
Energy: -0.9569041059038862
Energy: -0.563167749697449
Energy: -0.9569183994484743
Energy: -0.4374734986069532
Energy: -0.9760497142850245
Energy: -1.018973897000691
Energy: -0.9754212903527814
Energy: -0.9580212989839023
Energy: -1.0255231673245138
Energy: -1.0180542345797325
Energy: -1.0255312564424597
Energy: -0.5994627531992737
Energy: -0.9908550802108596
Energy: -0.9850269777532825
Energy: -0.9797221583209195
Energy: -0.7089915640608236
Energy: -0.5484956355630625
Energy: -0.4855662421434272
Energy: -0.6445774895999593
Energy: -0.22514249428539004
Energy: -0.44685150529741835
Energy: -0.3017224665214842
Energy: -0.5293040313020954
Energy: -0.7005045055861459
Energy: -0.9001076848683869
Energy: -0.4789340671364719
Energy: -0.8120763181421209
Energy: -0.18402274920309789
Energy: -0.9723952193894692
Energy: -0.24987944884347804
Energy: -0.9723952193888346
Energy: -0.8984947961991714
Energy: -0.9678832556214175
Energy: -0.1545251308290039
Energy: -0.9678830127159032
Energy: -0.8179764195976775
Energy: -0.9205250158249605
Energy: -0.7796473434009515
Energy: -0.9205249676435707
Energy: -0.929858075901949
Energy: -0.5414127316506931
Energy: 0.11232509279604509
Energy: -0.5413755091356359
Energy: -0.7361169173977108
Energy: -0.8124952086509072
Energy: -0.7369259120166197
Energy: -0.8124948986577496
Energy: -0.40454517402267337
Energy: -0.6099692873191895
Energy: -0.9923825194869003
Energy: -0.9247430653214627
Energy: -0.8449099146230677
Energy: -0.897989995089169
Energy: -0.8947501606845742
Energy: -0.8979947432500107
Energy: -0.3469278858585929
Energy: -0.8434451089513363
Energy: -0.8847416205961098
Energy: -0.8434442174645229

minimum gb energy = -1.062979372414993 eV
minimum distance =  2.18350658294587 Angstroms
sigma value = 89


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

Energy: -0.3086903179883928
Energy: -0.8157675892026127
Energy: -0.8513164139216832
Energy: 1.22079667177055
Energy: -0.4298040637870587
Energy: -0.6516246997998171
Energy: -0.8237977406423156
Energy: -0.7078666197341223
Energy: 0.05718424147281705
Energy: -0.6730447316766728
Energy: -0.9051019225212403
Energy: -0.6685387247606708
Energy: -0.6102938209643634
Energy: -0.7167267719272653
Energy: -0.5196843470534087
Energy: -0.7167725847398577
Energy: -0.46610259462991027
Energy: -0.8724617868139658
Energy: -0.0020001384647610494
Energy: -0.8715112215903325
Energy: -0.8360141280442378
Energy: -0.8382533443452693
Energy: -0.21326193439309166
Energy: -0.89990304691191
Energy: -0.7483002436801249
Energy: -0.8097677229051777
Energy: -0.8465476220718798
Energy: -0.8099385195051292
Energy: -0.8340456451735496
Energy: -0.8058242376554707
Energy: -0.473954629503515
Energy: -0.870545364162014
Energy: -0.9417298059082287
Energy: -0.7510793617127987
Energy: -0.5805864066259884
Energy: -0.7511084503658776
Energy: -0.9201094115314559
Energy: -0.7310854055176497
Energy: -0.4592885244997565
Energy: -0.7734970703384744
Energy: -0.5647865525753829
Energy: -0.698391322254717
Energy: -0.37966119808113286
Energy: -0.6990151357907436
Energy: -0.1270622415145251
Energy: -0.9066983875511915
Energy: -0.4503055541901274
Energy: -0.8631783665957579
Energy: -0.12691166166549941
Energy: -0.9046778351935182
Energy: -0.5700967272779338
Energy: -0.8753211491447009
Energy: -0.5889073413221945
Energy: -0.8523596340171762
Energy: -0.7801722718507087
Energy: -0.8518382769126184
Energy: -0.4957504330179235
Energy: -0.7940794056562446
Energy: -0.6463891663502819
Energy: -0.8057055816150568

minimum gb energy = -0.9417298059082287 eV
minimum distance =  2.23194282030705 Angstroms
sigma value = 13


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

Energy: -0.44600524359317617
Energy: -1.3598443284287336
Energy: -1.466412636982795
Energy: -1.0859778185609452
Energy: -1.32345842866083
Energy: -1.38648245599441
Energy: -1.4306065453493877
Energy: -1.3811985183472257
Energy: -1.3944249633405157
Energy: -1.4665400538731899
Energy: -0.7876862281993802
Energy: -1.4662211990258338
Energy: -0.820046340452784
Energy: -1.500409894066928
Energy: -1.275714093831605
Energy: -1.5004098815703786
Energy: -1.3148410852173136
Energy: -0.9211092171435526
Energy: -1.1083347857444985
Energy: -0.9210963008017012
Energy: -1.2733131606616104
Energy: -1.3130174647300923
Energy: -1.1670819600081481
Energy: -1.3130166136735706
Energy: -0.7281319100082072
Energy: -1.4749258925832152
Energy: -1.3156416231565367
Energy: -1.4205148757138402
Energy: -1.3444623739834032
Energy: -1.315320727808106
Energy: -0.8369290992592083
Energy: -1.3153207311116961
Energy: -1.5594464126747536
Energy: -1.232603756660556
Energy: -0.8855246465500473
Energy: -1.2326037559814735
Energy: -1.5654149228599272
Energy: -0.8340969665851435
Energy: -1.3412688974539055
Energy: -0.834096966561476
Energy: -1.4897558721150927
Energy: -1.4669206666652905
Energy: -0.8424321698145526
Energy: -1.4283774935075648
Energy: -0.9715359508973296
Energy: -1.4473161598919366
Energy: -1.2760596775179638
Energy: -1.4473134674643737
Energy: -1.2404992211630268
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Energy: -1.2798572703784323
Energy: -1.239083661949656
Energy: -1.3647141476161457
Energy: -1.0975838197757608
Energy: -0.3419559379574568
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Energy: -1.56388417674145
Energy: -1.0755468346788615
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Energy: -1.3918015604085943
Energy: -1.0626685415854114
Energy: -0.8160937164997852
Energy: -1.5198582089084522
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Energy: -1.5062687766717302
Energy: -1.4119150971401062
Energy: -1.5062849265356726
Energy: -0.9004308812172611
Energy: -1.5753395201799572
Energy: -1.3761813723958074
Energy: -1.5753394714039701
Energy: -1.3064776728819036
Energy: -1.1853629635938923
Energy: -1.2425984425148062
Energy: -1.1857785320760796
Energy: -0.5110795118973878
Energy: -1.0693428267584415
Energy: -1.2983524187042694
Energy: -1.1443968619173106
Energy: -1.3726179563749212
Energy: -1.3476124868948127
Energy: -1.09664334079666
Energy: -1.3475226404148595
Energy: -1.1488030496757475
Energy: -0.9109575162678134
Energy: -0.5434390529135016
Energy: -0.9111379997360346
Energy: -1.4593138753833732
Energy: -1.3796584212293908
Energy: -1.3497165533821873
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Energy: -1.0767503351304835
Energy: -1.612493993675035
Energy: -0.8311061672847606
Energy: -1.6127539664422401
Energy: -1.4851510789188858
Energy: -1.532128936336005
Energy: -0.9659178288502858
Energy: -1.5321289567534762
Energy: -1.4873186669743996
Energy: -1.5412326879806098
Energy: -1.3137915279685035
Energy: -1.536179252131941
Energy: -1.4536518076170222
Energy: -1.5324049052942652
Energy: -0.9644542023819933
Energy: -1.5362177017445386
Energy: -1.312361747088675
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Energy: -1.1075830239860198
Energy: -1.1879608555874612
Energy: -1.274659607459474
Energy: -1.5172061067092828
Energy: -1.2658699742896378
Energy: -1.3495804604921628
Energy: -1.0763247105168903
Energy: -0.740353642578212
Energy: -0.5103792924730179
Energy: -0.8519092753535686
Energy: -1.079752472941405
Energy: -1.4485358245468953
Energy: -1.4015358690116928
Energy: -1.448419385022369
Energy: -1.0400726986729452
Energy: -1.4183622739119002
Energy: -1.562497962463067
Energy: -1.4183622751956455
Energy: -1.0649651046471524
Energy: -1.044889830718766
Energy: -1.5881560970997404
Energy: -1.0396484452810406
Energy: -0.8382299677978107
Energy: -1.488526377182253
Energy: -1.5489817972791822
Energy: -1.4885318486251216

minimum gb energy = -1.6127539664422401 eV
minimum distance =  2.17462987168009 Angstroms
sigma value = 37


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

Energy: 0.446966178028285
Energy: -0.7641302196906167
Energy: -0.8692947545185069
Energy: -0.3396472200449169
Energy: -0.4835210249930706
Energy: -0.2948872090469223
Energy: -0.4056763614199883
Energy: -0.2772115688999227
Energy: -0.35025837184765085
Energy: -0.6273225790847827
Energy: -0.6440713608894965
Energy: -0.6273223786901283
Energy: -0.4567827053958615
Energy: -0.6752582512171204
Energy: -0.58837404772409
Energy: -0.635721819832358
Energy: -0.6721220898866256
Energy: -0.5791715193944046
Energy: -0.30265783320336065
Energy: -0.5607822781083883
Energy: -0.6431617030378537
Energy: 0.39829308877852
Energy: -0.5606164466374637
Energy: 0.3982930887438161
Energy: -0.6761660923809926
Energy: 0.4944173848711649
Energy: -0.5079403193641382
Energy: 0.4944173848723353
Energy: -0.37948356205412836
Energy: 0.007591049883147063
Energy: -0.008820373463470027
Energy: 0.007613141644063303
Energy: -0.7663832043444101
Energy: -0.614042944191091
Energy: 0.027131348298119435
Energy: -0.5754282440904589
Energy: -0.5739521515355251
Energy: -0.5518499248337403
Energy: -0.4312515326754559
Energy: -0.5354875496303529
Energy: -0.6544745100220188
Energy: -0.4711926853099545
Energy: 0.3954009417056339
Energy: -0.5024516541244489
Energy: -0.4021980176357607
Energy: -0.46939810393735537
Energy: -0.4541295888113732
Energy: -0.4695556182791249
Energy: -0.6222085336338737
Energy: -0.6155973698273798
Energy: -0.46078594577905285
Energy: -0.6153657142570436
Energy: -0.3188509576373149
Energy: -0.41708771622765756
Energy: -0.4284828610795195
Energy: -0.37889302879183034
Energy: -0.31585985009950823
Energy: 0.3900606689582979
Energy: -0.6408048412008278
Energy: 0.3900606687919097
Energy: 0.047776322857657746
Energy: 0.42439063758314355
Energy: -0.5465223221160598
Energy: 0.4243906385384129
Energy: -0.5047660857016714
Energy: -0.7775756917390264
Energy: -0.5739725064022476
Energy: -0.8171193043488887
Energy: -0.004758414443079395
Energy: -0.7969742960059162
Energy: -0.5759114245604742
Energy: -0.7970453671038528
Energy: 0.05744374447299892
Energy: -0.6477462395891463
Energy: -0.809481663985807
Energy: -0.622589214201747
Energy: -0.24476554755688518
Energy: -0.25551894403641895
Energy: -0.5571350473834168
Energy: -0.2954791420874287

minimum gb energy = -0.8692947545185069 eV
minimum distance =  2.24363795844018 Angstroms
sigma value = 25


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

Energy: -0.2726663022716164
Energy: -1.6005612445876218
Energy: -1.4058379469678313
Energy: -0.4114569965168043
Energy: -0.8568918684007347
Energy: -0.4223187256763447
Energy: -1.4027585462606171
Energy: -0.4223187263942292
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Energy: -1.4671577297341547
Energy: -1.3915217362277144
Energy: -1.4668027686310214
Energy: -0.7369990944564996
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Energy: -0.8807971984245094
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Energy: -0.3719420594932738
Energy: -0.9529428337790462
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Energy: -1.1940525622326688
Energy: -0.6762772134052979
Energy: -0.8045529891586799
Energy: -0.6762772128649717
Energy: -1.5761534642897912
Energy: -1.3818808052025089
Energy: -0.4928825638876268
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Energy: -1.5256358523542402
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Energy: -0.7587388542602868
Energy: -0.5111122714461553
Energy: -1.5199125635162678
Energy: -0.30502153550608224
Energy: -0.8951167075426936
Energy: -0.30502153549766553
Energy: -1.253796250337154
Energy: -0.7468062075842286
Energy: -0.5500298647796089
Energy: -0.7468062093976859
Energy: -1.3919910646458309
Energy: 0.48933124725685545
Energy: -0.8391148681243
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Energy: -1.4397067591759234
Energy: -0.5558979943696652
Energy: -0.5876443053640568
Energy: -0.5556394247456226
Energy: -0.7573809332781862
Energy: 0.36285606012937754
Energy: -0.9060806584378425
Energy: 0.3628560601948406
Energy: -1.0287752950296325
Energy: -0.2991945056299054
Energy: -0.8522542571765815
Energy: -0.3452827456193921
Energy: -0.8466105853034621
Energy: -1.0687325711631481
Energy: -1.099347600453839
Energy: -1.0687362582340323
Energy: -0.8392915622242433
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Energy: -1.036435854455053
Energy: -1.1447457760505784
Energy: -0.6601572713246852
Energy: -1.3193715838351523
Energy: -1.0933410716363725
Energy: -1.3383308940347522
Energy: -0.8066904926765344
Energy: 0.11092601773431847
Energy: -0.3786177226906395
Energy: 0.11092601563108026
Energy: -0.3784200623831746
Energy: -0.4868498124638594
Energy: -1.2361989974508178
Energy: -0.48684986286680415
Energy: -0.48291981861008687
Energy: -0.6665427604689326
Energy: -1.5931464590399012
Energy: -0.6665427605867237
Energy: -0.8068845662346621
Energy: -0.5701425209864383
Energy: -1.5284352554026792
Energy: -0.5931577829033828
Energy: 0.4781902553624641
Energy: -0.581689927006878
Energy: -1.6184626680106229
Energy: -0.5816899286071977

minimum gb energy = -1.6184626680106229 eV
minimum distance =  2.25137775551068 Angstroms
sigma value = 41


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

Energy: -0.8826592731232242
Energy: -1.0781430405661134
Energy: -2.3158950871599835
Energy: -0.6774914167710901
Energy: -1.2694003591467227
Energy: -1.7272768702735228
Energy: -2.0279624431631844
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Energy: -2.101418256783702
Energy: -1.9745974369715746
Energy: -2.1014840408332573
Energy: -1.1370904303668865
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Energy: 0.14058946010828735
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Energy: -1.6501961334552226
Energy: -1.7747670797708377
Energy: -1.6833700412678478
Energy: -1.2420765940694765
Energy: -1.6732728963822463
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Energy: -1.506254480709908
Energy: -1.4411781748867618
Energy: 0.6663034583979894
Energy: -1.3881152887438695
Energy: 0.6663034584010562
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Energy: -1.4509970773392329
Energy: 0.6384892042146437
Energy: -1.7119815853730553
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Energy: -1.3608697340240845
Energy: -1.4533436396684023
Energy: -1.6157912401344434
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Energy: -1.2346930690638278
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Energy: -0.6848179124575908
Energy: -1.3896483168778822
Energy: -0.8268979813272117
Energy: -1.9159013011377166
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Energy: -2.0277099663763325
Energy: -1.3951306284017304
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Energy: -0.7879567609078757
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Energy: -0.8970756384723426
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Energy: -2.0089672722028973
Energy: -2.071925494491415
Energy: -1.122394138152229
Energy: -2.1527205620268424
Energy: -1.9398227882256194
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Energy: 0.1521428927872516
Energy: 0.09609522464911575
Energy: -1.2792046335567695
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Energy: -0.8971954874980189
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Energy: -1.668088381375926
Energy: -0.5599659339311559
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Energy: -1.2930054434218
Energy: -1.3660971324913016
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Energy: -1.3140808886806352
Energy: -1.3063994795973484
Energy: -1.3224730393390014
Energy: -1.306365628819455
Energy: -1.4209320722059244
Energy: -1.315756566875404
Energy: -1.8036245283706087
Energy: -1.3490070380131045
Energy: -0.9607681875531698
Energy: -1.6419159786254227
Energy: -1.5266688751085005
Energy: -1.3355519063322856
Energy: -1.1716896719971222
Energy: -0.735653455174272
Energy: -1.5905490890671936
Energy: -0.7356533550300898
Energy: -1.0715463257557662
Energy: -0.05070233419965314
Energy: -1.6072420484702967
Energy: -0.05071260753386344
Energy: 0.026358812034682443
Energy: -1.5785968234661785
Energy: -1.7706323350615316
Energy: -1.5785967691603295
Energy: -0.6989687081164658
Energy: -0.9672403760892564
Energy: -1.143789901289833
Energy: -0.9672403758356178
Energy: -1.176880550136288
Energy: -1.8448881704657398
Energy: -1.8406516881482058
Energy: -1.8447808609316791
Energy: -0.8086331125003196
Energy: -2.0687268747715595
Energy: -1.0728959794611403
Energy: -2.0687268884618066

minimum gb energy = -2.3158950871599835 eV
minimum distance =  2.23957292352583 Angstroms
sigma value = 15


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

Energy: -1.3959949020448634
Energy: -2.7184682964062388
Energy: -1.3740176802204531
Energy: -2.0100969205818613
Energy: -1.321505268338413
Energy: -2.493255804433316
Energy: -2.1533916097753933
Energy: -2.526429860567089
Energy: -1.1392432966221548
Energy: -1.3634823763194706
Energy: -2.21709564798989
Energy: -1.3634819894307428
Energy: -1.7054122211167781
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Energy: -1.5528066890655203
Energy: -2.033323837973557
Energy: -2.112189450666179
Energy: -2.0367974016886574
Energy: -1.5380623308446324
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Energy: -2.0245682184862805
Energy: -1.7239758321200387
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Energy: -1.6393103622783276
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Energy: -1.649724601974219
Energy: -1.3497606077719972
Energy: -1.8214175105912391
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Energy: -1.2546347893348944
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Energy: -1.9391190555441253
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Energy: -1.3607222282283113
Energy: -2.496379869942576
Energy: -1.5546686589970695
Energy: -2.5016274109798142
Energy: -1.1589078357565734
Energy: -2.205127719536964
Energy: -0.8464551901822108
Energy: -2.2051276854018953
Energy: -1.143237159598111
Energy: -2.5573482563477064
Energy: -2.2431775129545066
Energy: -2.5573483692228476
Energy: -1.1433547567921802
Energy: -2.494414881475116
Energy: -2.079651133280889
Energy: -2.6095212829080054

minimum gb energy = -2.7184682964062388 eV
minimum distance =  2.21299363864157 Angstroms
sigma value = 85


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

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Energy: -1.4420561333635176
Energy: -0.9790758011429062
Energy: -0.9184953575686351
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Energy: -0.3732949431879896
Energy: -0.4553939021053665
Energy: -0.8093642612218475
Energy: -0.455393915760826
Energy: -0.518615706038084
Energy: -0.6996096580897194
Energy: -1.1054070156453482
Energy: -0.6993221243447012
Energy: -0.4418544182659839
Energy: -1.0177553618060817
Energy: -1.3829777434715933
Energy: -1.0575408636926436
Energy: 0.028105941593764894
Energy: -1.4602333739246816
Energy: -1.0637600513598717
Energy: -1.46027975503676
Energy: -0.3694095048277739
Energy: -1.5768949213387118
Energy: -1.5348371309561883
Energy: -1.5751539128903354
Energy: -0.44529708838868415
Energy: -1.1736924845331032
Energy: -1.1219680463349515
Energy: -1.173692658258508
Energy: -0.3365814540783629
Energy: -1.3522701204715069
Energy: -1.5112091243244907
Energy: -1.3522701201989904

minimum gb energy = -1.5867592883378827 eV
minimum distance =  2.22789653853883 Angstroms
sigma value = 113


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

Energy: 0.01658407648480703
Energy: 0.27502875112454617
Energy: 1.259938888639251
Energy: 0.017280196279771304
Energy: -3.792472070724637
Energy: -4.322007698391781
Energy: -3.364852739192544
Energy: -4.36050574374312
Energy: -3.905708864112211
Energy: -4.011275224572525
Energy: -3.31549218051541
Energy: -4.096745201426395
Energy: 0.017971380105641886
Energy: -1.4472719934080052
Energy: -2.70588340149555
Energy: -1.4129339858832042
Energy: -3.978576832513938
Energy: -2.8487706104771036
Energy: -3.380038653657395
Energy: -4.112847935278141
Energy: -1.7712270876441725
Energy: -1.7109067506382534
Energy: -3.3767961915544196
Energy: -1.7109067471088901

minimum gb energy = -4.36050574374312 eV
minimum distance =  2.40902006318158 Angstroms
sigma value = 1