Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.2424328714365185
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.00787689348368e-19, 4.3864872538642205e-19, 4.71302687363976e-19, 5.017840978258259e-19, 5.2715776917848395e-19, 5.495065310461499e-19, 5.6932545600873e-19, 5.86907742390246e-19, 6.024889101558959e-19, 6.162548117952239e-19, 6.283608584417279e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-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: 0.02008376315973957
Energy: 0.5313228409150758
Energy: 0.8889983250590199
Energy: 0.7755315621813206
Energy: 0.7707338278885459
Energy: 0.2917530173716286
Energy: 0.021081739641661983
Energy: 0.07374450118935086
Energy: 0.4817404156952179
Energy: 0.12818018704382808
Energy: 0.2230517378634595
Energy: 0.4810876475592091
Energy: 0.021616721324781367
Energy: 0.07536759103003875
Energy: 0.02064567657213455
Energy: 0.47570782810704526
Energy: 0.5880940963636424
Energy: 0.4734882624862626
Energy: 0.4752089042777281
Energy: 0.07362433562045888
Energy: 0.07512772679092965
Energy: 0.022494210178365396
Energy: 0.49979973485116547
Energy: 0.22338580760541216
Energy: 0.5036696177297179
Energy: 0.505818339227541
Energy: 0.07427025832917818
Energy: 0.021219402183791522
Energy: 0.07458342147607676
Energy: 0.5081394833683058
Energy: 0.1526609033152427
Energy: 1.016148619330052
Energy: 0.47245405489058107
Energy: 0.021137588179842137
Energy: 0.07550349973234795
Energy: 0.020509201564051914
Energy: 0.47458342194250575
Energy: 0.29602049217347426
Energy: 0.47260118150979163
Energy: 0.47533131907601334
Energy: 0.07353291590533258
Energy: 0.07551171211581813

minimum gb energy = 0.02008376315973957 eV
minimum distance =  2.52751868310049 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.018180535046361
Energy: 1.1514041147797334
Energy: 0.9145612086739039
Energy: 1.0471649540399512
Energy: 0.9741083084078823
Energy: 0.9120873292190349
Energy: 1.019058257377617
Energy: 0.8743388647687067
Energy: 0.9312837875167884
Energy: 0.8781216643056449
Energy: 0.8586068504610257
Energy: 0.822780864302908
Energy: 0.8554337749031743
Energy: 0.877746824883553
Energy: 0.942661613416659
Energy: 0.8685888658708215
Energy: 0.7992659281953637
Energy: 0.9243142710461908
Energy: 0.852497832702473
Energy: 0.7989040535944555
Energy: 0.9675085495696326
Energy: 0.9124907066340228
Energy: 0.8041284140769217
Energy: 0.869258067026837
Energy: 0.9690607057243426
Energy: 0.9145264090336552
Energy: 0.9765059976520718
Energy: 0.9126599287653218
Energy: 0.9030778841791001
Energy: 0.8313408582248901
Energy: 1.0210524893942505
Energy: 0.9955623994005998
Energy: 0.9176552150429012
Energy: 1.0497120303830085
Energy: 0.9786852326217894
Energy: 0.9881656618539988
Energy: 0.8767294378016621
Energy: 1.0283961606300491
Energy: 0.8805388535334258
Energy: 0.8414010755521524
Energy: 0.9367083585595388
Energy: 0.910278422273103
Energy: 0.9362487626181306
Energy: 0.886455207772223
Energy: 0.9822918808734666
Energy: 0.9711226675055211
Energy: 0.9265804101944338
Energy: 0.8968852700286339
Energy: 0.8352083076659553
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Energy: 0.9084336856312308
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Energy: 0.9361712353610036
Energy: 0.9115186858641072
Energy: 0.8929172475718946
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Energy: 0.8580660305878255
Energy: 0.799363657440999
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Energy: 0.9401437943158868
Energy: 0.9063802849860774
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Energy: 0.9159460009456473
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Energy: 0.8992323989804581
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Energy: 0.9225078965680191
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Energy: 1.0341182807044629
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Energy: 0.8648156512350209
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Energy: 0.7597618629911413
Energy: 0.8778899333767891
Energy: 0.8611555826687542
Energy: 0.9900421498324271
Energy: 0.9397543296013621
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Energy: 0.8920183043257829
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Energy: 1.0436450826604393
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Energy: 0.8390121897784089
Energy: 0.9106264338892295
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Energy: 0.8648770582985199
Energy: 0.8764158297002888
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Energy: 0.9555566647795326
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Energy: 0.8833600065283285
Energy: 0.8481855692975477
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Energy: 0.9063372356263366
Energy: 0.8884057551663213
Energy: 0.9268530850559942
Energy: 0.8775318400535023
Energy: 0.8104317761333641
Energy: 0.9346290757831988
Energy: 0.9106658011870211
Energy: 0.9464851215773117
Energy: 0.8394263008444652
Energy: 0.7984739941138644
Energy: 0.8610247527000067
Energy: 0.9577447552336781
Energy: 0.799670598942549
Energy: 0.9619246861556824
Energy: 0.888094395826312
Energy: 0.924751239918546
Energy: 0.868778721811263
Energy: 0.9913582826684026
Energy: 0.9544903039804499
Energy: 0.9612547055456909
Energy: 0.8753957991105076
Energy: 0.8643469930723127
Energy: 0.8804694807360581
Energy: 1.003507843485359
Energy: 0.9043962209838491
Energy: 0.8088036087268263
Energy: 0.8530035381552362
Energy: 0.8708214798852016
Energy: 0.9553247192042663
Energy: 0.8791577582330745
Energy: 1.0058366505332883
Energy: 0.8834543983361134
Energy: 0.8073875374038436
Energy: 0.8826965098023394
Energy: 0.8760999782960783
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Energy: 0.8884877703241568
Energy: 0.9010682653334064
Energy: 0.9169817355279158
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Energy: 0.8379520298533832
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Energy: 1.0411613371505952
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Energy: 1.0499421745503725
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Energy: 0.996329175753295
Energy: 1.0528669280544791
Energy: 0.918298950321428
Energy: 0.9343688261748194
Energy: 0.8543480930638021
Energy: 0.95279374500696
Energy: 0.8779598520750403
Energy: 0.9065550398045922
Energy: 0.7806333531182098
Energy: 0.7955162593046463
Energy: 1.1219226818492132
Energy: 0.88075784526442
Energy: 0.9064568635672642
Energy: 0.8240478980536464
Energy: 0.975353525284604
Energy: 0.9443761608155079
Energy: 0.958401562195925
Energy: 0.8840175269100826
Energy: 0.8911995036725732
Energy: 0.9920545198156696
Energy: 0.9186521331407076
Energy: 0.9766936999234013
Energy: 1.074512567509193
Energy: 0.9508648583593815
Energy: 0.8696480347998969
Energy: 0.8089119681451032
Energy: 0.8380885744584355
Energy: 0.8749720336404102
Energy: 0.8429005347168168
Energy: 0.9484065780148577
Energy: 0.8808136691184404
Energy: 0.9215761463642766
Energy: 0.8116564690978584
Energy: 0.9229302286846399
Energy: 0.8593218039425354
Energy: 0.8700309802587046
Energy: 0.8967885167805543
Energy: 0.8758770284599328
Energy: 1.025924543871758
Energy: 0.9453943474357701
Energy: 0.9624613445483403
Energy: 0.9326662242213684
Energy: 0.8892231020024448
Energy: 1.0752412095822463
Energy: 0.8017115921108628
Energy: 0.8572682712938765
Energy: 0.8435903194252284
Energy: 0.8691997110498821
Energy: 0.8995570868260897
Energy: 0.858616930553518
Energy: 0.8648196817118131
Energy: 0.8765878369441586
Energy: 0.9032156907161805
Energy: 0.818306284989137
Energy: 0.8714851994771877
Energy: 0.837190716536748
Energy: 0.7933173030036447
Energy: 0.8988536592857092
Energy: 0.8452160254163128
Energy: 0.8744431277093305
Energy: 0.8856325223125815
Energy: 0.8881936026927778
Energy: 0.9867614349814915
Energy: 0.8673558873915425
Energy: 0.9047361335366909
Energy: 0.9456818535184933
Energy: 0.8763391249176116
Energy: 0.8720213344761122
Energy: 0.8884598148355796
Energy: 0.9363850661524734
Energy: 0.9645451729850388
Energy: 0.8547168460318961
Energy: 0.966817188371941

minimum gb energy = 0.7566156785889087 eV
minimum distance =  2.23690514031893 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.1693772745169388
Energy: 1.1651607250052343
Energy: 0.9200670282027641
Energy: 0.943207413650981
Energy: 0.9428406378106555
Energy: 0.9276892884231744
Energy: 1.0894152515465372
Energy: 0.9751297880485561
Energy: 0.7807095153808745
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Energy: 0.8028413028859561
Energy: 0.9092311897548576
Energy: 0.9032641910300618
Energy: 0.8432161609891755
Energy: 0.8434664316935407
Energy: 0.9282811389893062
Energy: 0.930138513374085
Energy: 0.9448480887417138
Energy: 0.8725349597200456
Energy: 0.8707504606733824
Energy: 0.9485894525109692
Energy: 0.9299630150408226
Energy: 0.9218482984831328
Energy: 0.8226498215125696
Energy: 0.8847474661766687
Energy: 0.8259963248445172
Energy: 0.8335167167789747
Energy: 0.8718360471122506
Energy: 0.9494829100356958
Energy: 0.904230815815767
Energy: 0.7461122327789781
Energy: 0.8975767606310937
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Energy: 0.790929663661571
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Energy: 0.9497587398777616
Energy: 0.9390637005044031
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Energy: 0.8380417095045409
Energy: 0.9109746694887911
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Energy: 0.863297405405137
Energy: 0.9462600930520366
Energy: 0.9093902656782143
Energy: 0.8476022548271996
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Energy: 0.8775728237103958
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Energy: 0.9242450195794616
Energy: 0.8743298352458662
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Energy: 0.8957911740225708
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Energy: 0.9082660458781368
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Energy: 0.8202770982953964
Energy: 0.9467275692794842
Energy: 0.8495115940335177
Energy: 0.8582182914963364
Energy: 0.9227254062398287
Energy: 0.8662905859577693
Energy: 0.9571425114248532
Energy: 0.8056403730722
Energy: 0.8343265382163988
Energy: 0.818473206640615
Energy: 0.8893634782550365
Energy: 0.9585547728874769
Energy: 0.8883737800041608
Energy: 0.9654660802991462
Energy: 0.9525234969332533
Energy: 0.8721225904681946
Energy: 0.8463299340165926
Energy: 0.8783163527213428
Energy: 0.9209928503238137
Energy: 0.906274738543653
Energy: 0.9366955657402097
Energy: 0.8775523369044216
Energy: 0.8400569668103771
Energy: 0.856194056363046
Energy: 0.9014458057938792
Energy: 0.9052930360890262
Energy: 0.7838984221191947
Energy: 0.9636199403615684
Energy: 0.7903010574011454
Energy: 0.8249133732226037
Energy: 0.8344731303130057
Energy: 0.8469858772604779
Energy: 0.8433602123882679
Energy: 0.9288193831212381
Energy: 0.9123290519513748
Energy: 0.9466172175052453
Energy: 0.8966912693458158
Energy: 0.9265460333049447
Energy: 0.8950685975873883
Energy: 0.8782038102249276
Energy: 0.9365570984692242
Energy: 0.9700148379319533
Energy: 0.7982652735658734
Energy: 0.8585501510822386
Energy: 0.8787325242155759
Energy: 0.9295748434787219
Energy: 0.8541048713276247
Energy: 0.9304430131301225
Energy: 0.8472987908632776
Energy: 0.8677167933388057
Energy: 0.856034672811643
Energy: 0.9616852334007691
Energy: 0.8540278004349237
Energy: 0.827779005102713
Energy: 0.9308720911916195
Energy: 0.9848405000849058
Energy: 0.853000053941939
Energy: 0.9782884107181397
Energy: 0.8741672040478364
Energy: 0.9816682250080742
Energy: 0.8890394904671935
Energy: 0.9616433816110815
Energy: 0.9046563566609994
Energy: 0.9072479379751973
Energy: 0.9990930181489625
Energy: 0.9000736499537894
Energy: 0.9336282300142611
Energy: 0.8538913239744245
Energy: 0.9334158230323424
Energy: 0.8224060746071922
Energy: 0.8846688295434965
Energy: 0.9698403835990359
Energy: 0.8661278291599629
Energy: 0.8467292355344755
Energy: 0.9198492804246123
Energy: 0.8678621797899628
Energy: 0.9573171773348056
Energy: 0.9910571370089
Energy: 0.8851970730231732
Energy: 0.8306300504852588
Energy: 0.8993610190933053
Energy: 0.877312301317316
Energy: 0.9900222720047525
Energy: 0.8440609223662431
Energy: 0.9707915885036495
Energy: 0.91762346258712
Energy: 0.8652982246618691
Energy: 0.8297967363471563
Energy: 0.9409829068749589
Energy: 0.9050239778307099
Energy: 0.8582966423272951
Energy: 0.8676200555532705
Energy: 0.8012807609215397
Energy: 0.8629981167289782
Energy: 0.8522163107096979
Energy: 0.940597581327075
Energy: 0.9230005350259983
Energy: 0.9977838505008052
Energy: 0.8629332947596045
Energy: 0.9169242623144976
Energy: 0.9380498066268743
Energy: 1.0081650830474613
Energy: 0.9652360780154562
Energy: 0.9791136378928232
Energy: 0.9217938325573061
Energy: 0.8601197593730009
Energy: 0.8879750415766583
Energy: 0.9802059757454122
Energy: 0.849971228226642
Energy: 0.8666449732640763
Energy: 0.8913163697864352
Energy: 0.976537130564959
Energy: 0.7805564942030692
Energy: 0.8280022211566963
Energy: 0.9514099815320011
Energy: 0.7331401718182892
Energy: 0.8822612636767134
Energy: 0.8807948300462833

minimum gb energy = 0.7331401718182892 eV
minimum distance =  2.28521562611187 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.9012948767627851
Energy: 0.9670806985384794
Energy: 0.9645460945426909
Energy: 0.9336579828518377
Energy: 0.9287427620728029
Energy: 0.893993037460902
Energy: 0.964303433208868
Energy: 0.8681352306826713
Energy: 0.9144776255834439
Energy: 0.8535356577353985
Energy: 0.872973209505236
Energy: 0.9415296801346125
Energy: 1.0217931504973499
Energy: 0.9694154188765589
Energy: 0.9016242094738796
Energy: 0.8976191223675127
Energy: 0.9399400124135455
Energy: 0.9736690164051981
Energy: 0.9264263457691091
Energy: 0.952213759765539
Energy: 0.8352986187764254
Energy: 0.8873274206846204
Energy: 0.9311806833510865
Energy: 0.925465805496927
Energy: 0.9516832062279058
Energy: 0.8294318683694679
Energy: 0.8868277478153396
Energy: 0.812554366567904
Energy: 0.9684789900038555
Energy: 0.9009506818568788
Energy: 0.9082106537289328
Energy: 0.820831445638589
Energy: 0.8202556057334485
Energy: 0.9752428407386131
Energy: 0.9118988151479878
Energy: 0.8845159770893241
Energy: 0.8451042651293201
Energy: 0.8622616945665056
Energy: 0.8412214089528834
Energy: 0.8743652021263536
Energy: 0.9040517844284702
Energy: 0.8384794555833417
Energy: 0.917604238233637
Energy: 0.975177994846336
Energy: 0.8993270229639931
Energy: 0.9589790371323018
Energy: 0.8829494930661125
Energy: 0.8795184733690918
Energy: 0.9540276840284865
Energy: 0.8724958723964833
Energy: 0.971112920481814
Energy: 0.15569613702933155
Energy: 0.8827893130648401
Energy: 0.9588104107059969
Energy: 0.9112370593771166
Energy: 0.8225090883547381
Energy: 0.9293946592542712
Energy: 0.9573020862479017
Energy: 0.818959756851152
Energy: 0.9174627748271458
Energy: 0.9446231751465051
Energy: 0.8779356238107006
Energy: 0.8463398958947249
Energy: 0.9048969422564856
Energy: 0.8871509627161506
Energy: 0.9131674924063301
Energy: 0.9334164605959864
Energy: 0.9029057746943073
Energy: 0.9663972478031417
Energy: 0.8776898159534582
Energy: 0.9293547244114656
Energy: 0.9793716026791154
Energy: 0.8826464853887013
Energy: 0.9485709617963739
Energy: 0.88642857911668
Energy: 0.8035326411058942
Energy: 0.8569707610339317
Energy: 0.8424026877670734
Energy: 0.8413090214205255
Energy: 0.8685682034355049
Energy: 0.8475475598061935
Energy: 0.8986414168012417
Energy: 0.8043023195272607
Energy: 0.8653110545489388
Energy: 0.8690117623801942
Energy: 0.8966652270911621
Energy: 0.9041955489918932
Energy: 0.9234452324854269
Energy: 0.925198583108663
Energy: 0.8942768821857529
Energy: 0.9481675924366326
Energy: 0.9657265482269213
Energy: 0.807893476404354
Energy: 0.3906431898565123
Energy: 0.902798472868045
Energy: 0.8581076379635316
Energy: 0.8629685098377882
Energy: 0.8249141017992723
Energy: 0.9788769311123179
Energy: 0.9603048041547685
Energy: 0.970768314280532
Energy: 0.9763006486509224
Energy: 0.863174676338055
Energy: 0.9060075740375609
Energy: 0.772964446411085
Energy: 0.8508753949052007
Energy: 0.8779909319019892
Energy: 0.9151689700251541
Energy: 0.8664424616380498
Energy: 0.8996657177321463
Energy: 0.8114471368965287
Energy: 0.8198769234141947
Energy: 0.9371968175648694
Energy: 0.8641133451332733
Energy: 0.8930035569129768
Energy: 0.9303191704899276
Energy: 0.8733819704303473
Energy: 0.8601244108499676
Energy: 0.853959889205403
Energy: 0.8267090381874025
Energy: 0.8405637517284366
Energy: 0.8483294978258044
Energy: 0.8389797617960068
Energy: 0.8684406273065962
Energy: 0.8440162902796445
Energy: 0.8463598007932228
Energy: 0.9014035152812575
Energy: 0.8980006293725799
Energy: 0.90349551283578
Energy: 0.9064073406667398
Energy: 0.9178225925262965
Energy: 0.8907918472680596
Energy: 0.9157021881036796
Energy: 0.47766016611960066
Energy: 0.8319761824641135
Energy: 0.7158719647899809
Energy: 0.8403521303463627
Energy: 0.8705958405087699
Energy: 1.01133375288101
Energy: 0.813170361171751
Energy: 0.9590010982648767
Energy: 0.8873724996770265
Energy: 0.930032034553113
Energy: 0.9193375764373751
Energy: 0.8548371297736969
Energy: 0.8730559412900945
Energy: 0.8315824738145083
Energy: 0.8544690310013856
Energy: 0.887412855034399
Energy: 0.8763808631598587
Energy: 0.8446766616342658
Energy: 0.8272325100366283
Energy: 0.8752634190541071
Energy: 0.7735638422819661
Energy: 0.9977091766710219
Energy: 0.8445452393613679
Energy: 0.9539723212704848
Energy: 0.9047850434247774
Energy: 0.9201491918429604
Energy: 0.9470437451813543
Energy: 0.8775857679060759
Energy: 0.8456247334801951
Energy: 0.8381392799283304
Energy: 0.8617472147366938
Energy: 0.8202467040928282
Energy: 0.8379777651912209
Energy: 0.7925405062656157
Energy: 0.8983735851212351
Energy: 0.9524393447176065
Energy: 0.931938487481951
Energy: 0.9095218846255868
Energy: 0.9861600947779707
Energy: 0.8430889983806218
Energy: 0.870572015439359
Energy: 0.8553547620374304
Energy: 0.9882096438013647
Energy: 1.024594237704601
Energy: 0.5055541475710298
Energy: 0.8671296227875975
Energy: 0.8508078106398609
Energy: 0.879880648823752
Energy: 0.9026891323342887
Energy: 0.8855076382947964
Energy: 0.8813605968924387
Energy: 0.9274230698718411
Energy: 0.8642522798972525
Energy: 0.9529694378489553
Energy: 0.8484379021619486
Energy: 0.953071914013443
Energy: 0.9312553335178292
Energy: 0.8609467259561256
Energy: 0.8862809305359071
Energy: 0.82080224165982
Energy: 0.8865197199605105
Energy: 0.8216328001202434
Energy: 0.8903367941570729
Energy: 0.9129090603903639
Energy: 0.9155447268958145
Energy: 0.9402473525103023
Energy: 0.8457526276238526
Energy: 0.8988151634273378
Energy: 0.876269201122957
Energy: 0.9006829054782506
Energy: 0.9315161843100122
Energy: 0.9376772551303413
Energy: 0.9054214062367006
Energy: 0.8125758205445222
Energy: 0.8465994509933173
Energy: 0.8843225276412754
Energy: 0.8536226762648559
Energy: 0.9842016903104096
Energy: 0.9788907583850741
Energy: 0.8234293457204007
Energy: 0.9512425679074997
Energy: 0.8948001346245416
Energy: 0.8472881132923301
Energy: 0.8494404707767178
Energy: 0.9217884596174453
Energy: 0.9132354847027714
Energy: -0.13476825170320159
Energy: 0.9253033653682061
Energy: 0.9271976583437567
Energy: 1.011747478297329
Energy: 0.8433080146972795
Energy: 0.8495653917643246
Energy: 0.9570152494025785
Energy: 0.8893650626872551
Energy: 0.9202121131435127
Energy: 0.9568333056709597
Energy: 0.8498845193429276
Energy: 0.8720790312679947
Energy: 0.8757557398596422
Energy: 0.8479348862556295
Energy: 0.8981215490518423
Energy: 0.8341985428582375
Energy: 0.8904062082060555
Energy: 0.9264357569312693
Energy: 0.8477924586342866
Energy: 0.9884970293563204
Energy: 0.8893037580609404
Energy: 0.9899152166541906
Energy: 0.8918761254746204
Energy: 0.8600703065435367
Energy: 0.92142662526023
Energy: 0.7882811046752034
Energy: 0.8618225792103912
Energy: 0.8647938903559049
Energy: 0.9495930685440505
Energy: 0.9546958479763852
Energy: 0.8492482709185954
Energy: 0.8853969551785995
Energy: 0.855442455626579

minimum gb energy = -0.13476825170320159 eV
minimum distance =  2.2959689049957 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.9775141515759426
Energy: 0.7708950445562848
Energy: 0.8891718928416696
Energy: 1.1360557890370104
Energy: 0.7820180133738907
Energy: 0.7931663601354709
Energy: 0.9721257383112795
Energy: 0.9129465392598669
Energy: 0.7067314268223039
Energy: 0.8611662028201763
Energy: 0.874558010633677
Energy: 1.0282420396619856
Energy: 0.9901987084855575
Energy: 0.9833641529302773
Energy: 0.7952424303788544
Energy: 0.9656624645827622
Energy: 0.9220017428071503
Energy: 0.8176238833809333
Energy: 0.9846721339408546
Energy: 0.9909684896242819
Energy: 0.9249243599977085
Energy: 0.8233949364870078
Energy: 0.8852780931391542
Energy: 0.7506740008220696
Energy: 0.6745854037695512
Energy: 0.8687629890379746
Energy: 0.8342859771456779
Energy: 0.9821031419140686
Energy: 1.0228905194705749
Energy: 1.0221664271269013
Energy: 0.8663395847734497
Energy: 0.8873818394136633
Energy: 0.7217309047490441
Energy: 0.8528293045934837
Energy: 0.9934345504049463
Energy: 0.8054725079707942
Energy: 0.8906032838813538
Energy: 0.8461692945268544
Energy: 0.8772488392095871
Energy: 0.7608921764263658
Energy: 0.7612218512931886
Energy: 0.944135047711333
Energy: 0.8244943472211574
Energy: 0.884136079010571
Energy: 0.8856331328976579
Energy: 0.930896637389819
Energy: 0.9704462870378233
Energy: 0.9716147907490758
Energy: 0.992078439701616
Energy: 0.9622539415363316
Energy: 0.8451647108548923
Energy: 0.882468575987273
Energy: 0.7027615685269728
Energy: 0.7513117748541394
Energy: 0.7859604700827507
Energy: 0.8297447381592437
Energy: 0.9622598047687319
Energy: 0.8453929536057674
Energy: 0.7226712008261378
Energy: 0.8819730742585163
Energy: 0.7409171047224918
Energy: 0.8512039865066409
Energy: 0.8294364127588725
Energy: 0.8214956911113608
Energy: 0.7349310168206425
Energy: 0.843725774858729
Energy: 0.9452836324798638
Energy: 1.028994155899275
Energy: 1.0074191282976004
Energy: 0.9930848495208856
Energy: 0.823702088066698
Energy: 0.9358373674340849
Energy: 0.7468026750009796
Energy: 0.6765873402706858
Energy: 0.9336349142851279
Energy: 0.9223228623318392
Energy: 0.7387554273492881
Energy: 0.9263086672465694
Energy: 1.0280326905740929
Energy: 0.728690825874311
Energy: 0.7285701418631914
Energy: 0.7151475211469821
Energy: 0.7195264003661989
Energy: 0.984201241015714
Energy: 0.9600824195710496
Energy: 1.021534434444856
Energy: 0.9317036944907361
Energy: 0.833906702839969
Energy: 0.7014959543076432
Energy: 0.8189752414941823
Energy: 0.9905157191896133
Energy: 0.9302887034909085
Energy: 0.8413300846910845
Energy: 0.8336270439118733
Energy: 0.8745527870764619
Energy: 0.9717151818991511
Energy: 0.9699192793397458
Energy: 0.9276696162844029
Energy: 0.8075611663584616
Energy: 0.7066909899627356
Energy: 0.8388164067310172
Energy: 1.080593168371084
Energy: 0.9721728825562728
Energy: 0.8976394529468351
Energy: 0.9275390983880871
Energy: 0.9775837692429269
Energy: 0.6834016731418405
Energy: 0.8773134291323365
Energy: 0.856279708784746
Energy: 0.7809144902595015
Energy: 0.7891535004784853
Energy: 0.970407925960221
Energy: 0.9128058598554377
Energy: 0.7066193904804863
Energy: 0.8606880811674218
Energy: 0.8732484763331597
Energy: 1.0274376191373864
Energy: 0.9902414521457181
Energy: 0.9826849454580132
Energy: 0.8657525914494122
Energy: 0.9653081998725653
Energy: 0.9213327949001702
Energy: 0.8174761655697753
Energy: 0.9852261866549038
Energy: 0.9920191223335223
Energy: 0.9016513043035984
Energy: 0.8233474192983419
Energy: 0.8845450131080053
Energy: 0.750376431603277
Energy: 0.7282703688571657
Energy: 0.8689323621403078
Energy: 0.8595929104855182
Energy: 0.9812760150942588
Energy: 1.0211416729495106
Energy: 1.0216495500400122
Energy: 0.8663550488922119
Energy: 0.8866032759132185
Energy: 0.7210758345893824
Energy: 0.6454467776456336
Energy: 0.9909503402793761
Energy: 0.8051867530722184
Energy: 0.8915611530904762
Energy: 0.8457139642273825
Energy: 0.8772752790480726
Energy: 0.7608365131850653
Energy: 0.9010670796511848
Energy: 0.9447221813635599
Energy: 0.8246368465740161
Energy: 0.7019744330411981
Energy: 0.8856847244170171
Energy: 0.8821728866893589
Energy: 0.9712769949404156
Energy: 0.9613889084789348
Energy: 0.9921376309670149
Energy: 0.9619713631770371
Energy: 0.8455206694828558
Energy: 0.9509075750323105
Energy: 0.7029705412430195
Energy: 0.7516054916284669
Energy: 0.7862140561170425
Energy: 0.786467743737937
Energy: 0.9623611019107293
Energy: 0.845555852290214
Energy: 0.8300563003630073
Energy: 0.8816974948624088
Energy: 0.7405438537670369
Energy: 0.6726099018625435
Energy: 0.9443158327971606
Energy: 0.8263276962850113
Energy: 0.7340054227903859
Energy: 0.8529266254908405
Energy: 0.9451224976096052
Energy: 1.029005596598996
Energy: 0.9907962477606571
Energy: 0.9929447544925127
Energy: 0.8246799424873342
Energy: 0.935216965274145
Energy: 0.7437509374465547
Energy: 0.6765464739008827
Energy: 0.9332780857880769
Energy: 0.8370590428213658
Energy: 0.7388181259055945
Energy: 0.926901268692117
Energy: 1.028611616206329
Energy: 0.8025020969320326
Energy: 0.8033977905351887
Energy: 0.7152776568501052
Energy: 0.8027927449837691
Energy: 0.983927960151881
Energy: 0.959588233245104
Energy: 1.0219592247805023
Energy: 0.931696385532349
Energy: 0.8348253319724174
Energy: 0.6991091611681607
Energy: 0.8089905968760324
Energy: 0.9903145874380043
Energy: 0.9303944562926677
Energy: 0.8412365734901949
Energy: 0.8377321803865266
Energy: 0.8743205445134243
Energy: 0.9715254243155609
Energy: 0.9692531537604506
Energy: 0.9967862306535732
Energy: 0.8081505660506034
Energy: 0.7085586850705469
Energy: 0.8371351741241562
Energy: 0.8792985557320842
Energy: 0.9718175237475478
Energy: 0.8983915539475116
Energy: 0.9007481424270699

minimum gb energy = 0.6454467776456336 eV
minimum distance =  2.22915660809995 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.2076901801244029
Energy: 0.2703882930460804
Energy: 0.8412632955845808
Energy: 1.270811640949257
Energy: 0.8804899171467198
Energy: 0.8701792068095795
Energy: 0.5047326271196403
Energy: 0.9444202496936275
Energy: 0.8647820510906354
Energy: 0.8844730292535491
Energy: 0.8619799329894985
Energy: 0.9153390594182644
Energy: 0.9452251532780992
Energy: 0.9117049834829265
Energy: 0.8656645019120264
Energy: 0.7712264789374271
Energy: 0.7533321111803413
Energy: 0.8902552516137756
Energy: 0.9637413282994111
Energy: 0.8381626640306956
Energy: 0.8458724287584273
Energy: 0.8012969567136159
Energy: 0.8800243089826536
Energy: 1.0327120926366633
Energy: 0.6949228979416865
Energy: 0.9746557870609505
Energy: 0.9855125941789349
Energy: 0.8473225590109694
Energy: 0.8471794746117535
Energy: 0.9025785080448846
Energy: 0.8590261720704178
Energy: 0.7031549722564322
Energy: 0.7327002121493889
Energy: 0.9189926532570154
Energy: 0.8613557117023655
Energy: 0.8101348156005476
Energy: 0.7319681025447151
Energy: 1.018489318345605
Energy: 0.8231495348959289
Energy: 0.6571310904543937
Energy: 0.8472740429786135
Energy: 0.847628900507002
Energy: 0.9060681841167363
Energy: 0.8145214238290944
Energy: 0.9558876926566302
Energy: 1.0046799244061246
Energy: 0.8310841559379034
Energy: 0.8286920877356965
Energy: 0.8570509690330165
Energy: 0.8589724866685824
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Energy: 0.7972464477152754
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Energy: 0.9227052663282325
Energy: 0.8869712932820181
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Energy: 0.8650150800855959
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Energy: 0.959702635503457
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Energy: 0.9603754565952538
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Energy: 0.7931948496932087
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Energy: 0.7938060432160198
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Energy: 0.7006941281522405
Energy: 0.9814439501263447
Energy: 0.7325077815007914
Energy: 0.8233230823680177
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Energy: 0.7900549673072099
Energy: 0.8475708862597261
Energy: 0.7025179132343884
Energy: 0.8629193526435308
Energy: 0.8449733820021029
Energy: 0.8468647204273683
Energy: 0.807840149063132
Energy: 0.922775267576544
Energy: 1.0954704295769464
Energy: 0.6956600154097611
Energy: 0.7288303692792937
Energy: 0.7995567051202507
Energy: 0.8933879957990326
Energy: 0.2872768122541934
Energy: 0.7702182790954296
Energy: 0.8724712166182951
Energy: 0.8795505639768781
Energy: 0.8846847734379494
Energy: 0.8093938579508473
Energy: 0.7618828451449436
Energy: 0.504068366976097
Energy: 0.8263502647701475
Energy: 0.8181557943459588
Energy: 0.8301480170997492
Energy: 0.8127472084731645
Energy: 0.8440504729719343
Energy: 0.7747701043779673
Energy: 0.8724008856253156
Energy: 0.8929680548702522
Energy: 0.6965117134210154
Energy: 0.805239880361792
Energy: 0.7759188285600293
Energy: 0.8938812702032554
Energy: 0.9473471522289081
Energy: 0.8999389056368698
Energy: 0.8310584338604055
Energy: 0.8482405240655249
Energy: 0.834401445345457
Energy: 0.757810090877001
Energy: 0.8177723491178742
Energy: 0.8154748221649079
Energy: 0.8727249310869288
Energy: 0.9692129968956777
Energy: 0.7541876412650868
Energy: 0.7871510979839581
Energy: 0.8039327047258016
Energy: 0.7835919566102905
Energy: 0.779655719293961
Energy: 0.9264969321618144
Energy: 0.7940204797190386
Energy: 0.7530425359135353
Energy: 0.8632522137839611
Energy: 0.9788322363839096
Energy: 0.9605831708926179
Energy: 0.7919127594240877
Energy: 0.9595054120347469
Energy: 0.9136692009857111
Energy: 0.6599894183265441
Energy: 0.9407764909126829
Energy: 0.8663398379791462
Energy: 0.7600303403722946
Energy: 0.8492612022410173

minimum gb energy = 0.2703882930460804 eV
minimum distance =  2.31361671048156 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.0639705320076618
Energy: 1.350381059681786
Energy: 1.0874280359452202
Energy: -0.9559897286386304
Energy: 0.16845463456908882
Energy: 1.0353077683455
Energy: -0.0190330124275485
Energy: 0.9843857879918279
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Energy: -0.5825930490311504
Energy: -0.2721691459407649
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Energy: 0.8626636318416511
Energy: -1.101694318813158
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Energy: 0.8429338057633993
Energy: 0.8269292886711238
Energy: -0.7708735580493875
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Energy: 0.8587766967282713
Energy: 0.9068405970971064
Energy: -0.5455153192657111
Energy: -0.6119880896422154
Energy: -0.5859772466872843
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Energy: 0.9330675002890441
Energy: 0.7808096091916207
Energy: 0.9501165376346138
Energy: 0.6826079718137817
Energy: -0.5662806578289725
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Energy: -0.4327311613841505
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Energy: 0.14943415982053135
Energy: 0.756800883404662
Energy: 1.0526538363238647
Energy: 0.7109086374349444
Energy: 0.8935925290762883
Energy: 0.9155577543795288
Energy: 0.8278033102373042
Energy: 0.9741365260756804
Energy: 0.73907524007534
Energy: 0.8370789249391631
Energy: 0.7404331613185627
Energy: 0.8196153662833873
Energy: 0.8437429960603335
Energy: 0.7580195118510168
Energy: 0.9337530174257276
Energy: 0.7084159450603229
Energy: 0.6992683917630287
Energy: -0.5599411217068724
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Energy: 0.7428004392960252
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Energy: 0.8297703932787284
Energy: 0.7072632277567312
Energy: 0.7947532801080556
Energy: 0.8285531111324796
Energy: 0.7308044989742648
Energy: 0.7764166551092393
Energy: 0.8143777997535085
Energy: 1.0996423888908449
Energy: 0.7162433103099628
Energy: 0.697464903607605
Energy: 0.7986876597649982
Energy: 0.6972817077084994
Energy: 0.759158428873985
Energy: 0.7767067947778943
Energy: 1.003822712292153
Energy: 0.7260352816946908
Energy: 0.7202738466746597
Energy: 0.6813597767077808
Energy: 0.7721751612135865
Energy: 0.7107638663479674
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Energy: 0.8697753623836537
Energy: 0.7403856234965905
Energy: 0.8743499479560516
Energy: 0.8206214792706539
Energy: 0.8224164279392502
Energy: 0.7423471802080417
Energy: 0.7160736162682803
Energy: -0.4913246427573829
Energy: 0.6718417918331681
Energy: 0.8106780947848643
Energy: 0.7747884882164859
Energy: 0.719797409905933
Energy: 0.6699448808503732
Energy: 0.7562034815502878
Energy: 0.8611573382690386
Energy: 0.7510300888768121
Energy: -1.186483996336958
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Energy: 0.839813909365759
Energy: 0.9169153286229519
Energy: 0.6887811755452325
Energy: 0.8119533010849068
Energy: 0.8738534430619105
Energy: 1.0181904710525196
Energy: 0.7155669500258287
Energy: 0.6344055775402333
Energy: 0.9706265667767373
Energy: 0.897347276105449
Energy: 0.9083388956341527
Energy: 0.675968191280973
Energy: -0.4046531680492249
Energy: 0.7906461509001016
Energy: -0.9043173955514978
Energy: 0.6754193911146412
Energy: 0.7703611435819167
Energy: 1.0102535048067427
Energy: 0.8200154959672199
Energy: 0.8509621925413418
Energy: 0.7425963455070871
Energy: -0.7602127181998619
Energy: -0.4583146671807042
Energy: 0.7790340907096576
Energy: 0.9205240719747935
Energy: 0.8453059508580077
Energy: 0.8349682691287545
Energy: -0.3900583419820842
Energy: 0.9034661377384864
Energy: 0.8717048053255607
Energy: 0.8293271116413832
Energy: 0.954063781250969
Energy: 0.7322923986300133
Energy: -0.6493724023910692
Energy: 0.7481477073539471
Energy: -0.35965026586429416
Energy: 0.9203001936045136
Energy: 0.7272449783318198
Energy: 1.0077532644543168
Energy: 0.8212365166129765
Energy: 1.129454646804003
Energy: 0.8583118953505995
Energy: 1.0844717178240944
Energy: 0.9173489329254839
Energy: -0.6174971632083738
Energy: 1.1028316927655102
Energy: 0.7014959871107466
Energy: -0.4398085653510658
Energy: -0.6179918154804706
Energy: -0.6943873561201342
Energy: -0.7877109953065123
Energy: 0.12221119591931705
Energy: 0.9657420653833547
Energy: -0.5050377333098629
Energy: -0.5285070541249559
Energy: -0.4844220734931683
Energy: -0.5992697758367109
Energy: -0.5014933093506492
Energy: -0.45903988123304773
Energy: -0.5507050699002891
Energy: -0.6111513231318837
Energy: 1.1212505484544082
Energy: 1.0926162572619182
Energy: 0.9224329512322752
Energy: 0.9597582058905868
Energy: 0.9277397416622395
Energy: 0.1556319178183017
Energy: 0.05697128786354007
Energy: 0.7957634285868519
Energy: -0.21982759456778647
Energy: -0.3700075623818771
Energy: -0.2622321474154479
Energy: 0.7984557418798286
Energy: 0.9746250123065512
Energy: 0.8954938163345815
Energy: -0.8204798367835158
Energy: -0.769387740083736
Energy: -0.5803910948390925
Energy: -0.5255998315405019
Energy: 0.8738827437378955
Energy: 0.8199370806323669
Energy: 0.8165413822416545
Energy: 1.0298702128252881
Energy: 0.774645865926935
Energy: -0.6431152726805133
Energy: 0.9358011115642024
Energy: 0.7936062675276035
Energy: 0.09723029827160799
Energy: 0.66487089058885
Energy: 0.7382282701448283
Energy: 0.7248767974444059
Energy: -0.20641269627688552
Energy: -0.4328941185511691
Energy: 0.8152772886032856
Energy: 0.18556223206303427
Energy: 0.7930161136812358
Energy: 1.0632289568315112
Energy: 0.718978562396139
Energy: 0.8061156179240094
Energy: 0.9332138512298868
Energy: 0.8871156214852768
Energy: 0.8523767970906739
Energy: 0.7470373675440248
Energy: 0.9296892139247177
Energy: 0.8597027038857183
Energy: 0.8568856558401734
Energy: 0.7964861028341369
Energy: 0.7303895165661807
Energy: 0.9363266661856348
Energy: 0.6939615969043669
Energy: 0.7383093325269232
Energy: 0.7362461975295889
Energy: -0.6207350846754333
Energy: 0.6825781359023385
Energy: 0.7380551557983276
Energy: 0.8447591089131615
Energy: 0.7478056577158212
Energy: 0.8239525969242872
Energy: 0.7835733659864251
Energy: 0.6874605077797773
Energy: 0.6775529648292598
Energy: 0.8066641083345344
Energy: 1.0317490366823916
Energy: 0.763117133553378
Energy: 0.7635431014378526
Energy: 0.7763649048500457
Energy: 0.7646601113679689
Energy: 0.6485015954115567
Energy: 0.7675015735436759
Energy: 1.0424009102902965
Energy: 0.7884957618987813
Energy: 0.7538517323322962
Energy: 0.7573669147360113
Energy: 0.7503814572728442
Energy: 0.6957586963131285
Energy: 0.7637287353771783
Energy: 0.919856685899555
Energy: 0.7348373959111415
Energy: 0.822750665455905
Energy: 0.8232501042706525
Energy: 0.8312318031953536
Energy: 0.6892477672279962
Energy: 0.7616212447283065
Energy: -0.4438193516205537
Energy: 0.6844594393578678
Energy: 0.769754152378138
Energy: 0.7386488190487556
Energy: 0.6957064216348495
Energy: 0.6603076141116065
Energy: 0.6702490243206256
Energy: 0.9712755949847817
Energy: 0.7750040596990337
Energy: 0.8091775951887794
Energy: 0.8080767885004472
Energy: 0.8060872658426039
Energy: 0.8450595270170801
Energy: 0.7487755004941735
Energy: 0.8868129613037121
Energy: 0.6978815316485668
Energy: 1.001691088328829
Energy: 0.7456083753260515
Energy: 0.7518203541024618
Energy: 1.0040648641228653
Energy: 0.7411055818311431
Energy: 0.845083145625559
Energy: 0.6871163173411728
Energy: -0.460418645800832
Energy: 0.7641591085242692
Energy: 0.6511800379085513
Energy: 0.7439908524236235
Energy: 0.7844330385067416
Energy: 0.8114096083047231
Energy: 0.7988257030231981
Energy: -0.5415449005258904
Energy: -0.7846575642729006
Energy: -0.5215935008294309
Energy: 1.0223417428663584
Energy: 0.7718224670228155
Energy: 0.9461691080951955
Energy: 0.8180684330537527
Energy: 0.7946423958781739
Energy: 0.7754443077484615
Energy: -0.7112576386843181
Energy: 0.8885422779404807
Energy: 0.8784027028114483
Energy: 0.8944330330470018
Energy: 0.7971146812317126
Energy: -0.007968612107225225
Energy: 0.04488130526038798
Energy: -0.3327675594784905
Energy: 0.8092177526824038
Energy: -0.6408811224386486
Energy: 1.0346174759139015
Energy: -0.3387092772900896
Energy: 1.1043299491548704
Energy: 0.99589723365368
Energy: 0.9249868079410495
Energy: 1.033304869491407
Energy: -0.22949805246067695
Energy: 0.893022628106329
Energy: 0.6835466039143151
Energy: -0.48306342853806017
Energy: -0.6398094454588843
Energy: -0.6653669443363069
Energy: 0.8306157098226953
Energy: -1.084976713144765
Energy: -0.5334600456225189
Energy: -0.5214274096952742
Energy: -0.9045582059319428
Energy: -0.6265187528735882
Energy: -0.6299795155013306
Energy: 0.8904438193775783
Energy: 0.10318931856883277
Energy: 1.0308482884800179
Energy: 0.8095552754142854
Energy: 1.1666062819230125
Energy: 0.8550512812729435
Energy: 0.17576584200944623
Energy: 0.9958882712815332
Energy: -0.5667566496732128

minimum gb energy = -1.186483996336958 eV
minimum distance =  2.25512744970616 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.0066751265289788
Energy: 0.4630666343184727
Energy: 0.4683085098056173
Energy: 0.4649582252823683
Energy: 0.4685026057710486
Energy: 0.46805753230985175
Energy: 0.4570788107274696
Energy: 0.957413679799029
Energy: 0.490673804484372
Energy: 0.9511660355264652
Energy: 0.46024378716111086
Energy: 0.4647728135997217
Energy: 0.912590178948471
Energy: 0.48417026624064663
Energy: 0.958433886964806
Energy: 0.49077808258440925
Energy: 0.46582897835413367
Energy: 0.4615697888627714
Energy: 0.4628288821695971
Energy: 0.46547788167656884
Energy: 0.4595129647959799
Energy: 0.9595462017756761
Energy: 0.4891947991690758
Energy: 0.4644032462979462
Energy: 0.46554587779559514
Energy: 0.46633866175126054
Energy: 0.4655498664240835
Energy: 0.45964032700681023
Energy: 0.9894693308134463
Energy: 0.48525822764115156
Energy: 0.8807401724848712
Energy: 0.47069533864160984
Energy: 0.9399459449168789
Energy: 0.8814619111282593
Energy: 0.4806081940964105
Energy: 1.0073937188347126
Energy: 0.876439406011705
Energy: 0.4665026447378816
Energy: 0.4637617751985159
Energy: 0.46706285000372794
Energy: 0.46834442704230206
Energy: 0.4587407541795016
Energy: 0.9571299278566225
Energy: 0.49114002993883854
Energy: 0.9092026690089279
Energy: 0.4582620690118432
Energy: 0.46098868364127793
Energy: 0.4673314777836875
Energy: 0.45349910712340435
Energy: 0.9576244591986084
Energy: 0.48995405900372724
Energy: 0.46656267799229334
Energy: 0.45831799384973576
Energy: 0.46144166857419605
Energy: 0.46306534787567766
Energy: 0.49582232875156296
Energy: 0.9561167708769555
Energy: 0.8764209258531656
Energy: 0.4667798956946619
Energy: 0.46701151493647025
Energy: 0.4666139315498797
Energy: 0.4677256436482489
Energy: 0.4575846322143142
Energy: 0.9895256896328224
Energy: 0.47027439818237515
Energy: 0.44401105446076017
Energy: 0.4498686249904985
Energy: 0.4548658924330114
Energy: 0.8804815788709979
Energy: 0.46270779236110743
Energy: 0.9590235573572701
Energy: 0.5026520171487474
Energy: 0.46799296748687963
Energy: 0.46670936520315
Energy: 0.4672315792412169
Energy: 0.4671135321363198
Energy: 0.4568572055079716
Energy: 0.9574934445767158
Energy: 0.49245857158992756
Energy: 0.4636040678261245
Energy: 0.4594003671480021
Energy: 0.4608959578712188
Energy: 0.46523734605242256
Energy: 0.4655254820589705
Energy: 0.9570964218405941
Energy: 0.45696910820241443
Energy: 0.9112389025402036
Energy: 0.45898634700657964
Energy: 0.4617429208814357
Energy: 0.45592111997943074
Energy: 0.4945783404791984
Energy: 1.0069556618460163
Energy: 0.8777221655433747
Energy: 0.4689724526068296
Energy: 0.4636990089497446
Energy: 0.4659008223509673
Energy: 0.4683465247298204
Energy: 0.45792143809126956
Energy: 0.4432202761212999
Energy: 0.48847669764017565
Energy: 0.8825974600764495
Energy: 0.6217911062071964
Energy: 0.46625345371256893
Energy: 0.9496381389147248
Energy: 0.48347870850359326
Energy: 0.9585668851043254
Energy: 0.4944884159814287
Energy: 0.4644515235810152
Energy: 0.4636349692630436
Energy: 0.46635181979004947
Energy: 0.46592141464364534
Energy: 0.4578971654687599
Energy: 0.9588572290647692
Energy: 0.48982611318882535
Energy: 0.46710944181533703
Energy: 0.46440111196244205
Energy: 0.4632735907446002
Energy: 0.4648379162318292
Energy: 0.46012825088935383
Energy: 0.44242685878975924
Energy: 0.481067576787565
Energy: 0.950970939279665
Energy: 0.4631902183675916
Energy: 0.4646738806751007
Energy: 0.9492229432863039
Energy: 0.4904344531828824
Energy: 1.006805796490927
Energy: 0.47233982789950135
Energy: 0.46925790421903996
Energy: 0.4644187964815566
Energy: 0.47267380323543406
Energy: 0.4703086251491911
Energy: 0.45998388521990025
Energy: 0.9571596446515922
Energy: 0.4902334207921577
Energy: 0.9503970155308599
Energy: 0.4584656682955135
Energy: 0.46196842412995576
Energy: 0.9160158596068175
Energy: 0.4873862616584462

minimum gb energy = 0.44242685878975924 eV
minimum distance =  2.41700823250646 Angstroms
sigma value = 23