Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.24243287157552
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.0233378980017797e-19, 4.40391893564214e-19, 4.7321889061823995e-19, 5.01901056720108e-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: 0.016398323949202806
Energy: 0.6527374327010065
Energy: 0.017298092716938163
Energy: 0.016626466692331435
Energy: 0.6522460950057967
Energy: 0.01676883264038627
Energy: 0.6527374327013208
Energy: 0.10665378000514465
Energy: 0.10649356967634183
Energy: 0.10634328701330582
Energy: 0.10652875938921555
Energy: 0.1074152783703269
Energy: 0.01729809271662388
Energy: 0.10649356967693548
Energy: 0.10732353936968815
Energy: 0.016948295325680627
Energy: 0.10641931391382681
Energy: 0.107097791597387
Energy: 0.016626466692017148
Energy: 0.10634328701393439
Energy: 0.01694829532536634
Energy: 0.016695059327571784
Energy: 0.106496432526491
Energy: 0.016819777318979563
Energy: 0.652246095006076
Energy: 0.10652875939015842
Energy: 0.1064193139131982
Energy: 0.10649643252739895
Energy: 0.10626432460786886
Energy: 0.10635281182246115
Energy: 0.016768832639757696
Energy: 0.1074152783703269
Energy: 0.10709779160105368
Energy: 0.016819777318979563
Energy: 0.10635281182183257
Energy: 0.016894867263845658

minimum gb energy = 0.016398323949202806 eV
minimum distance =  2.54925299187126 Angstroms
sigma value = 1


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

Energy: 0.6652481542066797
Energy: -0.3215837310804304
Energy: 0.43637829170179027
Energy: 0.6749616674770321
Energy: -0.6091462354372963
Energy: 0.4434233130670065
Energy: 1.3238422640580072
Energy: 0.5853742346794175
Energy: 0.586673269131439
Energy: 0.584544706639442
Energy: 0.46600808495282864
Energy: 0.5871134402999378
Energy: 1.3631470718365664
Energy: 0.567694712867635
Energy: 0.5612882225280854
Energy: 0.6754904525257743
Energy: 0.46360467243294284
Energy: 0.5862069709979618
Energy: 1.5103250248321776
Energy: 0.58566912199692
Energy: 0.6568508088234345
Energy: 0.4593630303781668
Energy: 0.6146843733068198
Energy: 0.6559548008782008
Energy: 0.6065513353834366
Energy: 0.5854314528287641
Energy: 0.586236286615314
Energy: 0.5792777247491775
Energy: 0.5869784134008372
Energy: 0.5867250714247991
Energy: 1.2953026914824126
Energy: 0.6616317322716202
Energy: 0.679113164904221
Energy: 0.676937188614913
Energy: 0.6714487879064712
Energy: 0.6762883559359141
Energy: 1.3360428515094491
Energy: 0.6777607695939875
Energy: 0.6773789735372745
Energy: 0.6775991298834384
Energy: 0.6603006382051846
Energy: 0.6773057815629141
Energy: 1.320157237640051
Energy: 0.6794497326443089
Energy: 0.6752980189117158
Energy: 0.6693825200986248
Energy: 0.679989814490855
Energy: 0.6789211901013029
Energy: 1.032792039893904
Energy: 0.6790239107380699
Energy: 0.6797805876395004
Energy: 0.5859983143739969
Energy: 0.6773565170573598
Energy: 0.6758468650284224
Energy: 1.030958958724393
Energy: 0.5868857174977375
Energy: 0.5866659607478186
Energy: -0.1585013039590031
Energy: 0.5803388778424496
Energy: 0.5867297333272777
Energy: 1.090665946508675
Energy: 0.6407630052923653
Energy: 0.6381841748673538
Energy: 0.6145585053701205
Energy: -0.4383813188797196
Energy: 0.6652229999891004
Energy: 0.8344573996289317
Energy: 0.5867042303208064
Energy: 0.5869677758511819
Energy: 0.4604333340887457
Energy: 0.674824531608719
Energy: 0.5863196925703761
Energy: 0.8333944911656715
Energy: 0.58347655528639
Energy: 0.5853039010758329
Energy: 0.4403065077871039
Energy: 0.5823446737585731
Energy: 0.5869578427775154
Energy: 0.9020848139425782
Energy: 0.5654586492738661
Energy: 0.6509038351902846
Energy: 0.572112707550249
Energy: -0.33489813725520323
Energy: 0.6073409796374194
Energy: 0.8898720527250086
Energy: 0.5846016448670933
Energy: 0.5879683697432326
Energy: 0.4562745498788691
Energy: 0.5831997650372355
Energy: 0.586775539120044
Energy: 0.8904986194808103
Energy: 0.6793452032892382
Energy: 0.677068313370275
Energy: 0.469110471996536
Energy: 0.6783205692877018
Energy: 0.6527762728776256
Energy: 1.1174573144520734
Energy: 0.6593091864659527
Energy: 0.6569298397266607
Energy: 0.6603986060076623
Energy: 0.5406522262178793
Energy: 0.6515459920506097
Energy: 1.2042631166402522
Energy: 0.6790592830056326
Energy: 0.6783360695686556
Energy: 0.6773244034374157
Energy: 0.6767811672687254
Energy: 0.6780931725846832
Energy: 1.1722168786952651
Energy: 0.6793724532168217
Energy: 0.6771667253411371
Energy: 0.6773443042325813
Energy: 0.6798272308978591
Energy: 0.6768503958494674
Energy: 0.5386270598366861
Energy: 0.6793790506937807
Energy: 0.679216540240837
Energy: 0.6769451358735898
Energy: 0.6778403485652175
Energy: 0.6768975425818201
Energy: 0.39393883618134073
Energy: 0.659813171753896
Energy: 0.6475709378469657
Energy: 0.38292458457947454
Energy: 0.6593376401204566
Energy: 0.6407546180321084
Energy: 1.2838376407371153
Energy: 0.6607731843455809
Energy: 0.24452861210904492
Energy: 0.6742553383749788
Energy: 0.5626189947383468
Energy: 0.6770778312640982
Energy: 1.4001143766501385
Energy: 0.585804636750928
Energy: 0.5866905733698132
Energy: 0.4856340152225335
Energy: 0.46608263176854875
Energy: 0.5874520026737634

minimum gb energy = -0.6091462354372963 eV
minimum distance =  2.38122872811967 Angstroms
sigma value = 33


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

Energy: 2.2357409549602534
Energy: 0.6284353587898678
Energy: 0.6579657289027064
Energy: 0.7015639476192481
Energy: 0.729512377889257
Energy: 0.7816600543904508
Energy: 0.7600172476638198
Energy: 0.6664559779223395
Energy: 0.6627843149191324
Energy: 0.5930294329412726
Energy: 0.6646502323230423
Energy: 0.6949504014908465
Energy: 1.4644807085196214
Energy: 0.7287888517900682
Energy: 0.5849715521907182
Energy: 0.7652968302796183
Energy: 0.6662151926820835
Energy: 0.716049986253392
Energy: 1.561891423991037
Energy: 0.6865650780739453
Energy: 0.7415118568032095
Energy: 0.7659180997512475
Energy: 0.7420422066729254
Energy: 0.7623639596103173
Energy: 1.3855127967924579
Energy: 0.6197289098929978
Energy: 0.6249356323894977
Energy: 0.6215242968507091
Energy: 0.6893124042674831
Energy: 0.6279373504011048
Energy: 1.464377515546842
Energy: 0.6256019913300978
Energy: 0.6425626754761207
Energy: 0.619590491806884
Energy: 0.688980748086296
Energy: 0.5281958631812901
Energy: 1.4563408214241527
Energy: 0.7449871729565993
Energy: 0.7444408276598793
Energy: 0.6239606339114917
Energy: 0.7423998618547343
Energy: 0.7579741460409832
Energy: 1.2683306788060387
Energy: 0.767643427126796
Energy: 0.7694270357956623
Energy: 0.6383148980421456
Energy: 0.7679944187860888
Energy: 0.7676592490209855
Energy: 1.1541200984386426
Energy: 0.7685127625911558
Energy: 0.7455532684292253
Energy: 0.7758416424854117
Energy: 0.7642285519909743
Energy: 0.7762285155307135
Energy: 1.122009611341172
Energy: 0.7952175023944118
Energy: 0.7913030500408996
Energy: 0.7509343782765256
Energy: 0.7852065217869465
Energy: 0.7944087309123232
Energy: 1.0137086744270427
Energy: 0.8300194504929557
Energy: 0.7915070738923938
Energy: 0.7864351698874239
Energy: 0.734531036600822
Energy: 0.7562167187720309
Energy: 0.9512454639698162
Energy: 0.7840051432864292
Energy: 0.7955782346532609
Energy: 0.763292593318028
Energy: 0.7914621142046503
Energy: 0.7928356380907137
Energy: 0.9643869612801464
Energy: 0.753247613999805
Energy: 0.7529081543713126
Energy: 0.7514492757216402
Energy: 0.7543930420851256
Energy: 0.7817596247563872
Energy: 1.0213572994690712
Energy: 0.7708751319782736
Energy: 0.7713945739651858
Energy: 0.8221361377693803
Energy: 0.7757272680996615
Energy: 0.7623776899038012
Energy: 1.0738311524467274
Energy: 0.7515692180003408
Energy: 0.7513719143157502
Energy: 0.7586762446707964
Energy: 0.7528496158505138
Energy: 0.7527389664323334
Energy: 1.0752940230458898
Energy: 0.8215543516169166
Energy: 0.7884402478066255
Energy: 0.7583296911051088
Energy: 0.8093800677154314
Energy: 0.8062914633354398
Energy: 1.2996518855451007
Energy: 0.7657101896642705
Energy: 0.8327849324633778
Energy: 0.7897351689140075
Energy: 0.7650728971353409
Energy: 0.8320410635563114
Energy: 1.348500499922846
Energy: 0.7946428491998745
Energy: 0.7810450291059411
Energy: 0.7661237463002117
Energy: 0.7951821441449658
Energy: 0.7731275222149812
Energy: 1.3180121828115288
Energy: 0.7892841948545907
Energy: 0.7799457214199328
Energy: 0.7744622342639808
Energy: 0.7901287526343401
Energy: 0.8019400326749341
Energy: 0.6575941342039116
Energy: 0.7662820783217905
Energy: 0.7666149975774244
Energy: 0.8152098131870192
Energy: 0.7667940967419982
Energy: 0.8006252652973136
Energy: -0.1344547124545046
Energy: 0.8139889781314977
Energy: 0.13873015827204482
Energy: -0.27220301714042106
Energy: 0.8114757702057174
Energy: 0.1335152784788284
Energy: 1.4176782140920197
Energy: 0.7728200400611345
Energy: 0.7667192792759312
Energy: 0.6208593817230899
Energy: 0.7729926310277954
Energy: 0.7354322630823821
Energy: 1.3993455720711978
Energy: 0.7678848260359689
Energy: 0.7669612737557728
Energy: 0.8073688828966085
Energy: 0.7755995580795211
Energy: 0.8031416744850366
Energy: 1.5610620226424983
Energy: 0.859382825172864
Energy: 0.8278275887561405
Energy: 0.7236805737234736
Energy: 0.8230856596486722
Energy: 0.7279108332333936
Energy: 1.3503051659771754
Energy: 0.8200453750480713
Energy: 0.8285405849141151
Energy: 0.8186940078012549
Energy: 0.8252129779834634
Energy: 0.8198606390709697
Energy: 1.4521263859800746
Energy: 0.7546170481817576
Energy: 0.7946572192757323
Energy: 0.7521044898424716
Energy: 0.7538479797833024
Energy: 0.7939277750776469
Energy: 1.460156798582624
Energy: 0.7522472059500068
Energy: 0.7526134376696911
Energy: 0.7553454048606236
Energy: 0.7505310732620581
Energy: 0.7531304868855768
Energy: 1.376873750243363
Energy: 0.7665160042452676
Energy: 0.7654577654676915
Energy: 0.7502653623060521
Energy: 0.7745122366552644
Energy: 0.7524765689152051
Energy: 1.1520148001927588
Energy: 0.7735973732235484
Energy: 0.7742678932686852
Energy: 0.780118312173708
Energy: 0.773173637455006
Energy: 0.7861241626380743
Energy: 1.1252227503784855
Energy: 0.7867344172660139
Energy: 0.7947856986990468
Energy: 0.739791407929089
Energy: 0.7905153405634842
Energy: 0.7906492069631456
Energy: 1.1833404861365202
Energy: 0.8197887812945921
Energy: 0.8291420589644529
Energy: 0.7574436113732376
Energy: 0.8315924380294588
Energy: 0.8194998091766562
Energy: 0.9420091292798467
Energy: 0.7940313347776161
Energy: 0.7856613847696734
Energy: 0.7993595982736267
Energy: 0.7841103639164693
Energy: 0.7967662492140934
Energy: 0.9448183779995084
Energy: 0.7625095999787562
Energy: 0.7918743284393885
Energy: 0.7412283564400003
Energy: 0.7511729335910249
Energy: 0.7917123593356856
Energy: 0.9527917270700474
Energy: 0.7755586776263147
Energy: 0.7783670274382246
Energy: 0.7776582254462862
Energy: 0.7768265224545051
Energy: 0.7689247759189345
Energy: 1.0671072867106588
Energy: 0.747843802110787
Energy: 0.541014899378035
Energy: 0.6795815956562264
Energy: 0.7504544595499413
Energy: 0.745938768120456
Energy: 1.074686747253064
Energy: 0.6529911844361239
Energy: 0.4363671411055481
Energy: 0.7645994026416127
Energy: -0.058668037499803
Energy: 0.6088350556433186
Energy: 1.3370660927370646
Energy: 0.648137911350042
Energy: 0.6391901927977852
Energy: 0.6334804766190069
Energy: 0.6514246911036511
Energy: 0.7159171558676248
Energy: 1.3178140687972335
Energy: -0.08179637257670587
Energy: 0.7085975699963883
Energy: 0.7659998545165254
Energy: 0.7245142499066648
Energy: 0.660354565348907
Energy: 1.3488743894359188
Energy: 0.72575259144769
Energy: 0.6844454522745158
Energy: 0.7676276832284562
Energy: 0.670079524556301
Energy: 0.7690741059948384
Energy: -0.47981521087508266
Energy: 0.7360330586018832
Energy: 0.6562438690035455
Energy: 0.5591465021800686
Energy: 0.4402604723695217
Energy: 0.6309898473483427
Energy: 1.5853967906520383
Energy: 0.5568038777939218
Energy: 0.3013479595976299
Energy: 0.7054947019387766
Energy: 0.6216689522129455
Energy: 0.7271492149159914

minimum gb energy = -0.47981521087508266 eV
minimum distance =  2.27503956085152 Angstroms
sigma value = 51


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

Energy: 1.7109634598666774
Energy: 0.57176250523326
Energy: 0.5630299135694502
Energy: 0.6861581401752186
Energy: 0.5772240465398452
Energy: 0.8289698314791951
Energy: 1.202613796721001
Energy: 0.5759845712057222
Energy: 0.583413311358371
Energy: 0.5776312167523902
Energy: 0.5742639976498881
Energy: 0.6585150050898236
Energy: 1.409178122403451
Energy: 0.5747063334372451
Energy: 0.5760861053818193
Energy: 0.6826750216349307
Energy: 0.5736386636711139
Energy: 0.68487075804125
Energy: 1.4089970574865527
Energy: 0.1676980016066898
Energy: 0.2057282401317584
Energy: 0.6710869581792868
Energy: 0.34712130776758376
Energy: 0.6479498565309036
Energy: 1.2018174566710618
Energy: 0.6843328394230431
Energy: 0.5749475342415984
Energy: 0.5992960754408402
Energy: 0.684179968155226
Energy: 0.5755377211470266
Energy: 1.1617120488910655
Energy: 0.5716406170563272
Energy: 0.575450234823182
Energy: 0.5758742521938864
Energy: 0.6125147098571235
Energy: 0.5746314813212511
Energy: 1.161812385232502
Energy: 0.5711966248225618
Energy: 0.5687489887913323
Energy: 0.6131836660159047
Energy: 0.5714559898113886
Energy: 0.5733758582017338
Energy: 1.2500994501412486
Energy: 0.5581262836935221
Energy: 0.5577876204822786
Energy: 0.5708742638103492
Energy: 0.7499509534032099
Energy: 0.7678884043607179
Energy: 0.8685251512140305
Energy: 0.7901757866620512
Energy: 0.5591249030688041
Energy: 0.5738076824562179
Energy: 0.5557684814181101
Energy: 0.5814676184285252
Energy: 0.8689164113815463
Energy: 0.5897981036695366
Energy: 0.7068343840827482
Energy: 0.5817653559089581
Energy: 0.6721871323889572
Energy: 0.6556475974325293
Energy: 0.8727528864296678
Energy: 0.6366880089968049
Energy: 0.6720054486902461
Energy: 0.23765152047340285
Energy: 0.701920072329841
Energy: 0.6714410784195393
Energy: 0.9515620643915083
Energy: 0.20374667168955357
Energy: 0.28039572469942203
Energy: 0.5798655828907978
Energy: 0.6429728358825226
Energy: 0.20253450108173493
Energy: 0.952651812780721
Energy: 0.784151372714738
Energy: 0.784205181114943
Energy: 0.5802482861118425
Energy: 0.8063318906870159
Energy: 0.7848544496938384
Energy: 1.1933121818904027
Energy: 0.705078992828237
Energy: 0.7057835227866547
Energy: 0.6723476186287384
Energy: 0.6375841893193133
Energy: 0.6870008859335544
Energy: 1.2718103529506746
Energy: 0.584117370231918
Energy: 0.6900657136757553
Energy: 0.772735238927973
Energy: 0.5806826044007859
Energy: 0.784151745972635
Energy: 1.273122934008396
Energy: 0.5712360760460006
Energy: 0.5808664408101434
Energy: 0.5697877710057201
Energy: 0.575044113810885
Energy: 0.5637675584054921
Energy: 1.3857505830075836
Energy: 0.5737216656518375
Energy: 0.5785291504142546
Energy: 0.7136720361693204
Energy: 0.5754138063710966
Energy: 0.6792164371614068
Energy: 1.5443181661301837
Energy: 0.5732320908606106
Energy: 0.5941637193136676
Energy: 0.7503948801068202
Energy: 0.5746764657621247
Energy: 0.6139750437633567

minimum gb energy = 0.1676980016066898 eV
minimum distance =  2.38719075027949 Angstroms
sigma value = 19


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

Energy: 1.4336015231961265
Energy: 0.816968600593307
Energy: 0.8482252674739366
Energy: 0.775085405533003
Energy: 0.8166632363791471
Energy: 0.7887349541871755
Energy: 1.080260112310145
Energy: 0.817198315016397
Energy: 0.8169753626519051
Energy: 0.8459182705533762
Energy: 0.8172336002772215
Energy: 0.8533919062266618
Energy: 0.924473544742554
Energy: 0.8172831680312277
Energy: 0.8172329942139122
Energy: 0.8304737406954377
Energy: 0.8174350191670242
Energy: 0.8178254416459372
Energy: 1.0830670470987958
Energy: 0.9269825559700025
Energy: 0.9261737230469286
Energy: 0.8138152889185825
Energy: 0.8170592511582668
Energy: 0.9246614428556742
Energy: 0.8021365712753826
Energy: 0.8537137485453358
Energy: 0.8532656468123192
Energy: 0.8038535832156952
Energy: 0.8551253812039077
Energy: 0.8672287956997364
Energy: 1.0801819713262888
Energy: 0.8013358401296853
Energy: 0.8470932772834164
Energy: 0.8581130340727607
Energy: 0.8009940494548974
Energy: 0.8515329561704031
Energy: 1.0795708019537935
Energy: 0.845397222500663
Energy: 0.8463111270062319
Energy: 0.8531622838849311
Energy: 0.8040892908511431
Energy: 0.8535337602150299
Energy: 0.9233739130846013
Energy: 0.80139060230965
Energy: 0.8015367621569645
Energy: 0.8177110182942974
Energy: 0.7731915153296969
Energy: 0.8032202851423681
Energy: 0.8172163505628679
Energy: 0.8538461864310818
Energy: 0.8558857313166318
Energy: 0.8173140188523621
Energy: 0.8525973532416661
Energy: 0.801547334762564
Energy: 0.8189133323775464
Energy: 0.8464762711687761
Energy: 0.8665765362967071
Energy: 0.8174842432750618
Energy: 0.8048794186948381
Energy: 0.8169835968621296
Energy: 0.8184073370694552
Energy: 0.811093295945447
Energy: 0.8095990109139325
Energy: 0.8182195627192937
Energy: 0.8117306870420856
Energy: 0.8165549438579477
Energy: 1.1331058183409537
Energy: 0.8049186516608771
Energy: 0.8666603049315962
Energy: 0.8170700984763434
Energy: 0.8045803011049205
Energy: 0.8534329557688243
Energy: 0.8029990588379504
Energy: 0.8532102141902718
Energy: 0.8534375011815472
Energy: 0.8054275981670138
Energy: 0.8534279166070999
Energy: 0.8475241834068094
Energy: 1.1328684262989752
Energy: 0.8580656322754677
Energy: 0.8577800288591627
Energy: 0.8041831232602917
Energy: 0.8261885282292428
Energy: 0.8485563010241404
Energy: 1.3513799587115987
Energy: 0.8174732198733444
Energy: 0.8172154240800874
Energy: 0.8522287246129906
Energy: 0.817428120070806
Energy: 0.8557302168124852
Energy: 1.3538915029964274
Energy: 0.8172830311301678
Energy: 0.8027311819547149
Energy: 0.7730981049375385
Energy: 0.8183806885702146
Energy: 0.8013590822080833
Energy: 0.5942266447072196
Energy: 0.8174092423618496
Energy: 0.8169123994477377
Energy: 0.8040988645066491
Energy: 0.8187772649174887
Energy: 0.8530666665256939
Energy: 1.084842165948532
Energy: 0.8171963860526312
Energy: 0.8175419330839909
Energy: 0.8144442041833787
Energy: 0.8173297398441277
Energy: 0.8184942536543062
Energy: 1.0854181413783826
Energy: 0.8173798095828804
Energy: 0.8177473136056642
Energy: 0.8153599825501251
Energy: 0.8172534786907762
Energy: 0.8546354870016177
Energy: 1.0792337853071015
Energy: 0.8011540549661741
Energy: 0.8483526133120567
Energy: 0.8042876644348298
Energy: 0.8010024017578419
Energy: 0.8456613321692729
Energy: 1.0794954877077059
Energy: 0.8536825011256366
Energy: 0.8537852586387802
Energy: 0.8289978650872774
Energy: 0.8549473348454137
Energy: 0.85248993211746
Energy: 1.0792723940813087
Energy: 0.8455796949046862
Energy: 0.8533830019190085
Energy: 0.854544069068227
Energy: 0.8041848768769826
Energy: 0.8533935425539732
Energy: 0.9815471152647259
Energy: 0.7705291192582011
Energy: 0.773508880575585
Energy: 0.9238074261933992
Energy: 0.7728877928103961
Energy: 0.8024572422044677
Energy: 0.8172472143949786
Energy: 0.8668970567689394
Energy: 0.8533430898938749
Energy: 0.8171865761868193
Energy: 0.8571239407626533
Energy: 0.8170426776300791
Energy: 0.8174087907316383
Energy: 0.86736304295052
Energy: 0.8539868201364947
Energy: 0.8173379920202921
Energy: 0.8294528859561805
Energy: 0.8171706495839454
Energy: 0.8043760615560324
Energy: 0.8124891692998417
Energy: 0.8097650822544249
Energy: 0.8184776923887548
Energy: 0.8127374734104746
Energy: 0.8173030413923179
Energy: 1.131411655166606
Energy: 0.8044352591800782
Energy: 0.8463502156050958
Energy: 0.8171010178798102
Energy: 0.8038825459652298
Energy: 0.8532736213415713
Energy: 0.8013031226646151
Energy: 0.8562593298722739
Energy: 0.8575239364847027
Energy: 0.8009784912916004
Energy: 0.8535315747181427
Energy: 0.8481516602232637
Energy: 1.0658372081368888
Energy: 0.8560361161420906
Energy: 0.8574707979910764
Energy: 0.8042135728808314
Energy: 0.8532059600584802
Energy: 0.8486815233184256
Energy: 1.3526149202369278
Energy: 0.8176007670939058
Energy: 0.8019850797816113
Energy: 0.775695374518312
Energy: 0.8173057773498414
Energy: 0.8012999659385804

minimum gb energy = 0.5942266447072196 eV
minimum distance =  2.38380441292856 Angstroms
sigma value = 27


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

Energy: 1.1335759222719028
Energy: 0.6393572226265704
Energy: 0.954848559434033
Energy: 0.5840422806348141
Energy: 0.6392079129937231
Energy: 0.8773366672898071
Energy: 0.6803457315120364
Energy: 0.638390114512613
Energy: 0.6406603772096927
Energy: 0.6459055167494585
Energy: 0.6377835879274467
Energy: 0.6457558899468376
Energy: 1.3741072586557224
Energy: 0.6380828016375855
Energy: 0.6458794264833991
Energy: 0.6408609509516281
Energy: 0.6375954448179304
Energy: 0.6480888781512201
Energy: 1.3687182383409202
Energy: 0.7713987122535104
Energy: 0.7707426157903867
Energy: 0.6442615275500414
Energy: 0.7708885265962461
Energy: 0.7573949220216973
Energy: 1.0177046661520415
Energy: 0.6198816664193769
Energy: 0.6479822923243667
Energy: 0.6428478037236374
Energy: 0.6201327933711375
Energy: 0.6477852408754378
Energy: 0.8768082735222918
Energy: 0.6170534222967136
Energy: 0.616352087103146
Energy: 0.8035070279643513
Energy: 0.6003911615408459
Energy: 0.6165548668605707
Energy: 0.8073419580964946
Energy: 0.6459127443095758
Energy: 0.6454097744084166
Energy: 0.7410518013353382
Energy: 0.6446256724064916
Energy: 0.6420468446537047
Energy: 0.9809386651866518
Energy: 0.6186561497325577
Energy: 0.6381956346202495
Energy: 0.9057159780575051
Energy: 0.6222281868382183
Energy: 0.6384377003506115
Energy: 0.9463482609980739
Energy: 0.6426567140644598
Energy: 0.6325480739381945
Energy: 0.6421642434473892
Energy: 0.6431266367461079
Energy: 0.6428382504873482
Energy: 0.9486105341273728
Energy: 0.6432051465589356
Energy: 0.6457733228757605
Energy: 0.6440509835600494
Energy: 0.6443304333104412
Energy: 0.6449378224808099
Energy: 0.9464373962420717
Energy: 0.6351216963352012
Energy: 0.6328861023923295
Energy: 0.6445280564167719
Energy: 0.6402817828656339
Energy: 0.6339987498151026
Energy: 0.6356034675996489
Energy: 0.64251694179533
Energy: 0.6443555207314743
Energy: 0.6467392796747566
Energy: 0.642600110721404
Energy: 0.6439631103503197

minimum gb energy = 0.5840422806348141 eV
minimum distance =  2.40916202062339 Angstroms
sigma value = 9


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

Energy: 0.8385151949844875
Energy: 0.019361906219277927
Energy: 0.5317543960657289
Energy: 0.6304711409501161
Energy: 0.48733306134487875
Energy: -1.1509499998537687
Energy: 0.9590300487793268
Energy: 0.48288830746199674
Energy: 0.560332153830191
Energy: 0.5371205309075102
Energy: -0.8531373871973418
Energy: 0.5601080846651887
Energy: 1.0706100745741571
Energy: 0.5253839374362065
Energy: 0.5275507236725244
Energy: 0.5486639003278431
Energy: 0.5335540995245991
Energy: 0.5303511065526445
Energy: 1.069931927732708
Energy: 0.6097680981157991
Energy: 0.6099354213929544
Energy: 0.49400530748620036
Energy: 0.5243270607643749
Energy: 0.6112980602343375
Energy: 0.6156359549267055
Energy: 0.49967218329921587
Energy: 0.5021542606285018
Energy: 0.5621960836024329
Energy: 0.5166904258987844
Energy: 0.547777856669312
Energy: 0.7673674791145689
Energy: 0.5087117160050515
Energy: 0.4818220063346142
Energy: 0.48673355046909955
Energy: 0.4795525636645698
Energy: 0.5252552616324749
Energy: 0.6715894570712388
Energy: 0.5195589778132237
Energy: 0.5370007759260252
Energy: 0.47981503794919794
Energy: 0.5168096967640535
Energy: 0.5250978386009603
Energy: 0.7234846326419216
Energy: 0.5087093750460397
Energy: 0.523616595767651
Energy: 0.5072863310171822
Energy: 0.5117217522995072
Energy: 0.4988181691496869
Energy: 0.5726984445587411
Energy: 0.5118926317281689
Energy: 0.5179868705725471
Energy: 0.5220803134683777
Energy: 0.5059624878443393
Energy: 0.5224836929940707
Energy: 1.2392548612151846
Energy: 0.6588878288312006
Energy: 0.6112464972302448
Energy: 0.43756599368417287
Energy: 0.7675712656747433
Energy: 0.5169616678963398
Energy: 1.2358772238484783
Energy: 0.5180487917323995
Energy: 0.5224527027661148
Energy: 0.5140605845823177
Energy: 0.5256312981605032
Energy: 0.5232136127921083
Energy: 0.9578500404365996
Energy: 0.5071033219267188
Energy: 0.545573282496559
Energy: 0.4884219941901639
Energy: 0.47058484265064116
Energy: 0.5224674711559988
Energy: 1.0442446350089285
Energy: 0.43599977875685164
Energy: 0.4479977642220091
Energy: 0.4847710274261928
Energy: 0.5992531642266079
Energy: 0.6451179308398346
Energy: 0.9576524111480383
Energy: 0.5378287424416857
Energy: 0.5487632909840366
Energy: 0.5281518835281556
Energy: 0.5377212245731128
Energy: 0.5249353256412616
Energy: 0.6830205328362114
Energy: 0.5003710193505807
Energy: 0.5043245012424175
Energy: 0.5244967439443822
Energy: 0.49922395542623066
Energy: 0.6053416883005728
Energy: 0.6836931553715906
Energy: 0.5472120576668184
Energy: 0.5262992454346009
Energy: 0.534699427903441
Energy: 0.5488740398507769
Energy: 0.5432736069933863
Energy: 0.6800848594699075
Energy: 0.4842116401210738
Energy: 0.5159834125817051
Energy: 0.5250295180461139
Energy: 0.4837417103970084
Energy: 0.5341454532144551
Energy: 0.705482721420816
Energy: 0.4704406579109359
Energy: 0.48747043476800406
Energy: 0.4170010982074986
Energy: 0.5069254741033044
Energy: 0.5410696339026553
Energy: 0.8249356645985736
Energy: 0.5765861547327472
Energy: 0.5754530752223695
Energy: 0.5535771288974773
Energy: 0.5737740879498687
Energy: 0.548893501973367
Energy: 0.7917276644644425
Energy: 0.5259208003757728
Energy: 0.5402244824001672
Energy: 0.5479025203236154
Energy: 0.5260547022621826
Energy: 0.5404224237535239
Energy: 0.5206816227213972
Energy: 0.5413441224040969
Energy: 0.5456162456940096
Energy: 0.5660517420526913
Energy: 0.5411206331716094
Energy: 0.5473898645863746
Energy: 0.8382370323024562
Energy: 0.4982319421188007
Energy: 0.4969598807100058
Energy: 0.5461264682770772
Energy: 0.5327943011863454
Energy: 0.452896279259843
Energy: 0.8442971114406429
Energy: 0.49723077510328717
Energy: 0.5404786029571776
Energy: 0.5192426483785273
Energy: 0.5143206561746438
Energy: 0.5371387899554158
Energy: 0.9646948001150564
Energy: 0.5260800290439237
Energy: 0.5226631072225515
Energy: 0.5417394770212743
Energy: 0.5346102374025008
Energy: 0.5422045132822912
Energy: 1.072438362345472
Energy: 0.49685881438342155
Energy: 0.5039857902072991
Energy: 0.4640087564627025
Energy: 0.537309511059204
Energy: 0.5192235438471372
Energy: 0.964570280392362
Energy: 0.5245689391769343
Energy: 0.5272743370555104
Energy: 0.5483347058725394
Energy: 0.5341406001732282
Energy: 0.5259360278553532
Energy: 0.8607790992049233
Energy: -0.042222414084240996
Energy: 0.06330163304945194
Energy: 0.7494150404202813
Energy: -0.4542761559316643
Energy: 0.6107987360988529
Energy: 0.6706829517202532
Energy: 0.5212481996918686
Energy: 0.5263682653412063
Energy: 0.5131939293279685
Energy: 0.5210668685897297
Energy: 0.5479640896852516
Energy: 0.6702027649737802
Energy: 0.5143923033575731
Energy: 0.518200259282741
Energy: 0.526605866996793
Energy: 0.5366662298793481
Energy: 0.5223096724900197
Energy: 0.6931057317306212
Energy: 0.5218743873433311
Energy: 0.5225392144558012
Energy: 0.6072516992712953
Energy: 0.49297615121086863
Energy: 0.5219009176185553
Energy: 1.2340769008382337
Energy: 0.5176163666606188
Energy: 0.5219573423420094
Energy: 0.5196341241532522
Energy: 0.5258062789016655
Energy: 0.5245681500006397
Energy: 1.240941181773009
Energy: 0.6594839779152195
Energy: 0.6598164757702408
Energy: 0.43860212455312575
Energy: 0.6512874034474019
Energy: 0.5168023958228999
Energy: 0.9624618630735949
Energy: 0.4376494837208966
Energy: 0.5236794359770922
Energy: 0.5169845630707387
Energy: 0.4797284701975026
Energy: 0.5396882674413525
Energy: 1.0427884791883981
Energy: 0.6088756497963957
Energy: 0.5288479137860431
Energy: 0.4774034169592327
Energy: 0.6577236213461763
Energy: 0.5375482073512391
Energy: 1.043487808506529
Energy: 0.5281806459280395
Energy: 0.5382906536724968
Energy: 0.5041642834074622
Energy: 0.5376059103090847
Energy: 0.54688026392416
Energy: 0.7308222836428019
Energy: 0.537547002217641
Energy: 0.525365018713755
Energy: 0.6055963116698684
Energy: 0.5357013154264743
Energy: 0.6099011447264703
Energy: 0.7290949479914579
Energy: 0.5233085771895305
Energy: 0.5223232913102559
Energy: 0.6110073367106282
Energy: 0.5114412852629588
Energy: 0.5286857417640707
Energy: 0.6803206066871816
Energy: 0.5305341461105292
Energy: 0.5307727725139156
Energy: 0.5186673244437464
Energy: 0.5271246815931808
Energy: 0.5491824895016133
Energy: 0.7173020419223091
Energy: 0.6859705934831016
Energy: 0.6774038555146423
Energy: 0.1469175836198829
Energy: 0.5161388307604329
Energy: 0.6734372228773021
Energy: 0.8241280647040478
Energy: 0.5322143225811581
Energy: 0.532313935405974
Energy: 0.5578234807831488
Energy: 0.5328936908908992
Energy: 0.5487320342158765
Energy: 0.7900570934352386
Energy: 0.5408506812231653
Energy: 0.5491343355860503
Energy: 0.525927937804288
Energy: 0.5021950067127638
Energy: 0.5492474489465884
Energy: 0.8251936712832354
Energy: 0.5413277218909802
Energy: 0.5405709753945531
Energy: 0.5433481342603395
Energy: 0.5106167781474436
Energy: 0.5469035202761879
Energy: 0.9724569741601011
Energy: 0.5119055836019445
Energy: 0.5128066862740653
Energy: 0.5193465828392072
Energy: 0.5521331221676591
Energy: 0.5366155815877014

minimum gb energy = -1.1509499998537687 eV
minimum distance =  2.39682615975973 Angstroms
sigma value = 57


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

Energy: 0.385059442279048
Energy: 0.3044386543771862
Energy: 0.28356759120810365
Energy: 0.28197351513377256
Energy: 0.3042026168475531
Energy: 0.2817559494452673
Energy: 0.4575302878812435
Energy: 0.29546334398272867
Energy: 0.29427291191563376
Energy: 0.29646941364953566
Energy: 0.29671646922453476
Energy: 0.2941782140510209
Energy: 0.461634511679547
Energy: 0.296014096105021
Energy: 0.29355357169052054
Energy: 0.29787595786106635
Energy: 0.2985364687996278
Energy: 0.2921162859800699
Energy: 0.46172396998349924
Energy: 0.2961412768705925
Energy: 0.29412302168562926
Energy: 0.29973246392503816
Energy: 0.2988538826344836
Energy: 0.29326813085677683
Energy: 0.4567779933577152
Energy: 0.284206176282186
Energy: 0.2845962721454454
Energy: 0.298159832488628
Energy: 0.2850693732789635
Energy: 0.29504064612718955
Energy: 0.4259436977608506
Energy: 0.2828261419938661
Energy: 0.28422648499178044
Energy: 0.2968766361504917
Energy: 0.2830921844767913
Energy: 0.2828810657909353
Energy: 0.42028377564152136
Energy: 0.2958684900257774
Energy: 0.29424499251863906
Energy: 0.2983771013976607
Energy: 0.29738536139375155
Energy: 0.2931901991246365
Energy: 0.4258157503335131
Energy: 0.2978262087605964
Energy: 0.29501729240043423
Energy: 0.3029179080767797
Energy: 0.2988938904929033
Energy: 0.2950726821900532
Energy: 0.45616922634016593
Energy: 0.29518726149819996
Energy: 0.2941297996293358
Energy: 0.30040072783935806
Energy: 0.29675839061169323
Energy: 0.29444349056309216
Energy: 0.3911213647418205
Energy: 0.2961646158393337
Energy: 0.2834186997396181
Energy: 0.28371749424383796
Energy: 0.29723551302433576
Energy: 0.28323848269234375
Energy: 0.3863253444649884
Energy: 0.2956695918049086
Energy: 0.29480291667264735
Energy: 0.2841450681957478
Energy: 0.2970457962045074
Energy: 0.2837789967822515
Energy: 0.4580175158022398
Energy: 0.29542290404237503
Energy: 0.2936001821633668
Energy: 0.2963945140111965
Energy: 0.29763919513937787
Energy: 0.291592431789857
Energy: 0.46187178734433754
Energy: 0.298937023251678
Energy: 0.2994926725372384
Energy: 0.2988194275681141
Energy: 0.30289903386335326
Energy: 0.3002832281658967
Energy: 0.45684310510066395
Energy: 0.2958845941603587
Energy: 0.2944420780497168
Energy: 0.29710718812949605
Energy: 0.2970096958498912
Energy: 0.2942071719622205
Energy: 0.4616261911212378
Energy: 0.28203716251348854
Energy: 0.28277964133243083
Energy: 0.29986224912570325
Energy: 0.2821405991549149
Energy: 0.2823666357373062
Energy: 0.42267785722959966
Energy: 0.29512781499542284
Energy: 0.2944091422592768
Energy: 0.29820151778714876
Energy: 0.28490776655006195
Energy: 0.2944139094407162
Energy: 0.42566443167073
Energy: 0.2950230289273897
Energy: 0.2926009043407158
Energy: 0.30027094601816007
Energy: 0.29654443241714223
Energy: 0.2924268890914584
Energy: 0.4608932680867723
Energy: 0.2979527603942067
Energy: 0.2942114658893118
Energy: 0.3005514169339431
Energy: 0.29950501869690443
Energy: 0.2940137527756762
Energy: 0.3863476952783093
Energy: 0.29695646790921154
Energy: 0.29571183183952415
Energy: 0.2852666614067375
Energy: 0.2981427522375514
Energy: 0.2948824488790235

minimum gb energy = 0.2817559494452673 eV
minimum distance =  2.45520997869971 Angstroms
sigma value = 11


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

Energy: 1.178557098107496
Energy: 0.3909756372721898
Energy: 0.8959920226303428
Energy: 0.6269334334789493
Energy: 0.21621772951206084
Energy: -0.490392148167946
Energy: 0.13025694566384483
Energy: 0.1303335109295631
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Energy: -0.42972239532003287

minimum gb energy = -0.9372161029354245 eV
minimum distance =  2.38702805842506 Angstroms
sigma value = 41


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

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minimum gb energy = -0.7601409701848005 eV
minimum distance =  2.30856933719314 Angstroms
sigma value = 33


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

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Energy: 1.0137798776277869
Energy: 0.008003857379493957
Energy: 0.723951565425038
Energy: 1.0134688248412547

minimum gb energy = -1.3669001319214324 eV
minimum distance =  2.38360505177739 Angstroms
sigma value = 67


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

Energy: 1.100936940312962
Energy: -0.10007871646879467
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Energy: -0.09422240700484617
Energy: 0.44957242211544984
Energy: 0.4478393471897868

minimum gb energy = -0.15648522242522583 eV
minimum distance =  2.41563923729341 Angstroms
sigma value = 3


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

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Energy: -2.0516590895551357

minimum gb energy = -2.5049356553258413 eV
minimum distance =  2.36563606593891 Angstroms
sigma value = 81


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

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Energy: -0.024730993445541978
Energy: -1.4535192879055137
Energy: 0.43062028325580975
Energy: 0.27168727820231897
Energy: 0.0585256744400663
Energy: 0.011617636458597303
Energy: 0.4920913758409305
Energy: -1.0126729133957308
Energy: -0.8484167762443555
Energy: 0.7129628526897457
Energy: 0.19575432136062304
Energy: 0.22435876685764955
Energy: 0.16472720640458735
Energy: -0.029664893438498305
Energy: 0.2235588477670718

minimum gb energy = -1.6954551049082396 eV
minimum distance =  2.39304905585953 Angstroms
sigma value = 43


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

Energy: 0.8126726437211812
Energy: 0.8032960775374745
Energy: 0.5597788322773576
Energy: 0.5501595539424528
Energy: 0.48277757571525654
Energy: 0.13696611784754884
Energy: -0.027874715925597107
Energy: 0.37018182169659775
Energy: 0.6131788086640012
Energy: -0.3950586744669771
Energy: 0.37070800526793035
Energy: 0.3192640269881387
Energy: 0.12615355167763537
Energy: -0.636206833729153
Energy: -0.579512288098085
Energy: -0.5530154918496354
Energy: -0.6057517120979672
Energy: -0.5638123055642499
Energy: 0.13499478245238952
Energy: -0.49757782007708135
Energy: -0.6149801842873805
Energy: -0.14502254787695332
Energy: -0.5704337206372102
Energy: -0.5891195981456441
Energy: -0.2370963124257613
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Energy: -0.32680496002027726
Energy: -0.32579559267890096
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Energy: -0.3258751908094041
Energy: -0.2280324394164543
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Energy: -0.32555765706990186
Energy: -0.32492638634852283
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Energy: -0.3236629015185601
Energy: -1.0664145340474676
Energy: 0.14460822625983671
Energy: 0.14407882792627197
Energy: -0.6738710223896546
Energy: 0.15773906889159076
Energy: 0.33641472524218485
Energy: 0.5500044843087297
Energy: 0.1750560947653475
Energy: 0.1894941572107222
Energy: 0.4034341516671825
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Energy: 0.03969957035225255
Energy: -0.3218512946760476
Energy: 0.32185722890400564
Energy: 0.5234777657375055
Energy: -0.4114850103700028
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Energy: -0.3414024845639411
Energy: -0.09111232254629212
Energy: -0.355650309442908
Energy: 0.4512205306873519
Energy: -0.06356674281260405
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Energy: 0.21455854169311955
Energy: 0.20715593246887543
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Energy: -0.31430603121399575
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Energy: -0.030422580406342055
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Energy: -0.25334574177618835
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Energy: -0.8528926251756931
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Energy: -0.332932710367476
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Energy: 0.3342471579263236
Energy: -0.6091247738478819
Energy: 0.35301971168741725
Energy: 0.4318012115974654
Energy: -0.9457790228036701
Energy: -0.9309110389523821
Energy: -0.878784509505307
Energy: 0.04865041838759206
Energy: -0.9425846710689852
Energy: -1.1044453303265935
Energy: -0.8317387661541825
Energy: 0.05925218954999154
Energy: -0.11889921681614889
Energy: 0.09486732993931617
Energy: 0.017192089553429067
Energy: 0.5197265183243509
Energy: 0.004614711193144509
Energy: 0.06066053801729588
Energy: -0.15236843866070454
Energy: 0.004260657710183037
Energy: 0.06191786163983699
Energy: -1.1758434195492984
Energy: -0.17512413809824282
Energy: -0.18575951528559653
Energy: -0.18330978677697637
Energy: -0.17363251193731982
Energy: -0.1832698603202127
Energy: -1.2149006280937287
Energy: -0.4043319284496167
Energy: -0.15568376093023617
Energy: -0.9114180607222906
Energy: -0.1941114287577927
Energy: -0.22060680904480084
Energy: -1.2209847886860883
Energy: -0.1743175595026607
Energy: -0.43086073698310773
Energy: -0.1910022057655519
Energy: -0.17905152039440714
Energy: -0.4192930562484154
Energy: 0.20749910936314184
Energy: 0.24154957802218308
Energy: -0.5374849312301515
Energy: 0.3443489526957396
Energy: -0.6286680212873774
Energy: -0.5392989694387654
Energy: 0.14632206161675101
Energy: -0.1722467571140121
Energy: 0.11589957193231823
Energy: -0.35266452182947033
Energy: -0.17987451733159485
Energy: 0.2382353163286878
Energy: 0.6262897757595483
Energy: -0.7310287626200566
Energy: 0.3645636732701234
Energy: 0.4689562805272923
Energy: -0.7947889880019718
Energy: 0.31453332141311174

minimum gb energy = -1.2209847886860883 eV
minimum distance =  2.34453607581699 Angstroms
sigma value = 57


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

Energy: 0.7772274660558196
Energy: 0.34499139319177985
Energy: -0.1951327750254336
Energy: 0.329906422285075
Energy: 0.3454520747680289
Energy: -0.19468729827009196
Energy: 0.6331097010841304
Energy: 0.2456348718857437
Energy: 0.2460296360119251
Energy: 0.07502233957508558
Energy: 0.2564383160749766
Energy: 0.24502207558731365
Energy: -0.1453465860157491
Energy: -0.26731712267721486
Energy: -0.267093888763076
Energy: -0.39947535343739715
Energy: -0.27271843851114624
Energy: -0.2684048436381856
Energy: 0.5757730772550329
Energy: -0.27286116898296514
Energy: -0.2718576185526663
Energy: 0.07537832872361422
Energy: -0.27236670448864764
Energy: 0.2552814079161141
Energy: -1.5412245483712228
Energy: -0.448900742692833
Energy: -0.4483614040761578
Energy: -0.44883524792850965
Energy: -0.4482810379824836
Energy: -0.4480630571673202
Energy: -0.30304871383614124
Energy: -0.4463406734949193
Energy: -0.44640378572066797
Energy: -0.4468991959249467
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Energy: -0.4462715840452186
Energy: 0.5951302554513382
Energy: 0.244597031661469
Energy: 0.24524581092102954
Energy: 0.24495589017243688
Energy: 0.07653272929942388
Energy: 0.24520565157444354
Energy: -0.19337875743844607
Energy: -0.40000685269705744
Energy: -0.39975305933187544
Energy: -1.3632378512419743
Energy: -0.40009944415964305
Energy: -0.19258598748074413
Energy: 0.5943802584552584
Energy: -0.19162563954090592
Energy: -0.19229805364137842
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Energy: 0.6444376053870453
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Energy: 0.6300645935209129
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Energy: 0.06231350608081169
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Energy: -0.21790561259856822
Energy: -0.2736623024114508
Energy: 0.07230246820273076
Energy: 0.5763731480195123
Energy: 0.24432829808548293
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Energy: 0.2453769906871355
Energy: 0.24500246146030402
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Energy: -0.4479157395798641
Energy: -0.44820495105995206
Energy: -0.4490564484715783
Energy: -0.4461484149181424
Energy: -0.4478727385358546
Energy: -1.4248176304629667
Energy: -0.446190425060571
Energy: -0.4469476453913664
Energy: -0.4470483737107245
Energy: -0.44752239637685837
Energy: -0.44766958370278664
Energy: 0.5913621443605088
Energy: -0.40018632213076916
Energy: -0.39966764833746987
Energy: 0.2680806384625771
Energy: -0.19264935901305577
Energy: -0.3986865878876874
Energy: 0.39225361386007845
Energy: -0.4000002900086004
Energy: -0.39957675754707644
Energy: -0.400252597951211
Energy: -0.3996599029165189
Energy: -0.3998866542721588
Energy: 0.5869008331395659
Energy: -0.18839405382187294
Energy: -0.19166583996455516
Energy: 0.07477150993228887
Energy: -0.19223947930040178
Energy: 0.24649653710323718
Energy: 0.07124660701931547
Energy: 0.44758545763952345
Energy: 0.4488824793917305
Energy: -0.04095070388800471
Energy: -1.0291179886969808
Energy: 0.44962506988710177
Energy: 0.6300554131412134
Energy: -0.19144937976139467
Energy: -0.1910796827722965
Energy: -0.3994481905530868
Energy: -0.18926895395982476
Energy: -0.4006935486380365
Energy: 0.6091567623182091
Energy: -0.1911261661078435
Energy: 0.05248318965849368
Energy: 0.5998490694490822
Energy: -0.19080779851965518
Energy: 0.052310705315898286

minimum gb energy = -1.5981397724872868 eV
minimum distance =  2.37970099288716 Angstroms
sigma value = 17


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

Energy: 0.8074511357076795
Energy: 0.2933488851150614
Energy: 0.48504665582864537
Energy: 0.3694825650190052
Energy: 0.2928424742769103
Energy: 0.3717383119244119
Energy: 0.6724744137273451
Energy: 0.2977546094890093
Energy: 0.33270190193674926
Energy: 0.31908897519642965
Energy: 0.3006616423560959
Energy: 0.33338247835384
Energy: 0.4452947194396818
Energy: 0.12279339098477383
Energy: 0.12346771258856137
Energy: 0.2738146505241633
Energy: 0.1233736941829153
Energy: 0.12287446435517986
Energy: 0.5964300170450816
Energy: 0.14944061051636
Energy: 0.1485121631394409
Energy: 0.2992049088961048
Energy: 0.2710954137381492
Energy: 0.2967079115023108
Energy: 0.619183360564569
Energy: 0.09085906762123307
Energy: 0.07688972654003752
Energy: 0.12854248402466978
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Energy: 0.07665966186396873
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Energy: 0.06154403165068837
Energy: 0.05632254912519752
Energy: 0.2350809755548114
Energy: 0.07740209593726337
Energy: 0.2025181493920278
Energy: 0.3085432630327088
Energy: -0.2185199126923128
Energy: -0.22267511916379537
Energy: -0.22147194687747354
Energy: -0.21590092312640866
Energy: -0.2203641720318193
Energy: 0.36728463771958225
Energy: -0.22205145612254237
Energy: -0.22039550212497655
Energy: -0.22140792943341328
Energy: -0.2208618555904273
Energy: -0.21855743160635202
Energy: 0.3700899763406612
Energy: -0.22048141519209444
Energy: -0.21896922605390906
Energy: -0.21997416903771094
Energy: -0.22148376909004472
Energy: -0.21945881148149685
Energy: 0.45505510358074025
Energy: 0.05686763510667129
Energy: 0.06219079900463567
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Energy: 0.05694397031603076
Energy: 0.060752183701838436
Energy: 0.44917247286580686
Energy: 0.07673224168188279
Energy: 0.07732212539802948
Energy: 0.09017384117624393
Energy: 0.08988040259004493
Energy: 0.07709182695916802
Energy: 0.4380103864712021
Energy: 0.3009619652623022
Energy: 0.29734144702993753
Energy: -0.5306196221025243
Energy: 0.14806381918201164
Energy: 0.29653068101292246
Energy: 0.45895792640025557
Energy: 0.2715856794377105
Energy: 0.253203394346231
Energy: -0.5287428141556848
Energy: 0.2733519880739594
Energy: 0.27283416616606043
Energy: 0.667594464234308
Energy: 0.2534902810894621
Energy: 0.3667314553749486
Energy: 0.3142272315882176
Energy: 0.273602104418922
Energy: 0.3338724985505481
Energy: 0.37482562747624226
Energy: 0.3659459861811243
Energy: 0.46817894522290615
Energy: 0.4661131668412017
Energy: 0.3852390977708039
Energy: 0.4677971532055924
Energy: 0.671483607780995
Energy: 0.2716574998258712
Energy: 0.3335937549458314
Energy: 0.2995472455682352
Energy: 0.27372890813847656
Energy: 0.30052181375236026
Energy: 0.5665741327945978
Energy: 0.27194839491942213
Energy: 0.427573660180342
Energy: 0.3963593989436899
Energy: 0.2717266425398315
Energy: 0.44122720745473387

minimum gb energy = -0.5306196221025243 eV
minimum distance =  2.39274745700329 Angstroms
sigma value = 17


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

Energy: 0.6192802241266108
Energy: 0.44756785087777123
Energy: 0.4045419962681532
Energy: 0.12607936119257343
Energy: 0.38311928426488745
Energy: -0.09335658862396622
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Energy: 0.2090937763925391
Energy: 0.3017040291560061
Energy: 0.15095030887439514
Energy: 0.676749032737361
Energy: 0.03393735367717185
Energy: 0.28220368666024964
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Energy: 0.11171040324104316
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Energy: 0.677840860286614
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Energy: 0.0391625932311786
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Energy: 0.07595457192267085
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Energy: 0.36905242652617926
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Energy: 0.7107787063246352
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Energy: 0.314862608998276
Energy: 0.27066583167573094
Energy: 0.24720230971245838
Energy: 0.6677806721491771
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Energy: 0.18572459384947287
Energy: 0.3855621498535099
Energy: 0.16561323672723002
Energy: 0.27191326952652384
Energy: 0.6795443642361836
Energy: -0.012269998153188709
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Energy: 0.03828200956902848
Energy: 0.18779570003658724
Energy: 0.35730056616787004
Energy: 0.5009905319765721
Energy: -0.7498765867578944
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Energy: 0.10602714581889916
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Energy: -0.04167757143057377
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Energy: 0.11085815211890411
Energy: 0.09845139719523378
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Energy: 0.6569071444855358
Energy: -0.05337341711056219
Energy: 0.09133792163203601
Energy: -1.3227900345016184
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Energy: 0.679204800487035
Energy: 0.5358137665766968
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Energy: 0.09476520086866647
Energy: -0.01988519022174218
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Energy: 0.048953661555500565
Energy: -0.09514206103150305
Energy: 0.13891141190239717
Energy: 0.16269179207297502
Energy: 0.14444455865367214
Energy: 0.6155506039498584
Energy: 0.16458163947850127
Energy: 0.16444776446135392
Energy: 0.2400585198708591
Energy: 0.14544679391548473
Energy: 0.1529373087339931
Energy: 0.6812840669081468
Energy: 0.21867080419526758
Energy: 0.2611386482510004
Energy: 0.08811097173815997
Energy: 0.21850817377484943
Energy: 0.28406099551616615
Energy: 0.7787469630565425
Energy: 0.22872568816120936
Energy: 0.26640270752234024
Energy: 0.26574357808869575
Energy: 0.3255800867526912
Energy: 0.23224840742257605
Energy: 0.5939335522209709
Energy: 0.11328918189596986
Energy: 0.09420493551961137
Energy: 0.25740251047155766
Energy: -0.5022002952153578
Energy: 0.06938337179232287
Energy: 0.606234970416401
Energy: 0.266991318271494
Energy: 0.3895784716810037
Energy: 0.18942550745167971
Energy: 0.2947962556260823
Energy: 0.38307750629027293
Energy: 0.7253258454046507
Energy: 0.27057962676098407
Energy: 0.41588715959626144
Energy: 0.054187039897863706
Energy: 0.2838790243945164
Energy: 0.2782944843313402
Energy: 0.7080973791560174
Energy: 0.30111415699733163
Energy: 0.4146209221234446
Energy: 0.0826606786237555
Energy: 0.2864370044312367
Energy: 0.38283668399088333
Energy: 0.7354647794541199
Energy: 0.41861158395707765
Energy: 0.3575828898125419
Energy: 0.08044179411451256
Energy: 0.2357211056384537
Energy: 0.054925502669579816
Energy: 0.7336574374276085
Energy: 0.25988878126809817
Energy: 0.326922948908218
Energy: 0.3164872831887579
Energy: 0.3267926037480432
Energy: 0.3712903924174111

minimum gb energy = -1.3227900345016184 eV
minimum distance =  2.27896844204344 Angstroms
sigma value = 57


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

Energy: 0.5354768357681076
Energy: 0.30974043345207564
Energy: -0.061610762633062394
Energy: 0.2666932951185756
Energy: 0.32506905763231875
Energy: -0.09150159760031619
Energy: 0.6496737075139019
Energy: 0.24280303128726594
Energy: 0.26443516484770774
Energy: 0.23342120771940622
Energy: 0.26043636042483803
Energy: 0.24455206693031264
Energy: 0.7076082454205556
Energy: 0.12642091928183552
Energy: 0.0908614449785475
Energy: 0.3502042381966823
Energy: -0.17096278430244272
Energy: 0.06591215322525565
Energy: 0.6267795575942947
Energy: 0.21493901140344407
Energy: 0.03363492164041635
Energy: 0.2586527694816035
Energy: 0.23355499877991637
Energy: 0.033058462635286556
Energy: 0.6056113930736212
Energy: 0.01801925876211254
Energy: 0.017805661191066774
Energy: -0.015851497871724605
Energy: 0.018137039347003288
Energy: 0.018641837751369145
Energy: 0.5211999517663237
Energy: 0.017550426741005293
Energy: -0.018753964300249556
Energy: -0.018587310970728497
Energy: 0.027482848474057815
Energy: 0.017381571509438185
Energy: 0.5430454011359364
Energy: 0.23043292913651886
Energy: 0.13363635520092065
Energy: 0.16852312597468747
Energy: 0.02689989731457576
Energy: 0.15033972165057805
Energy: 0.5427764487364344
Energy: -0.16497428933860597
Energy: 0.21327458931945054
Energy: 0.055623546725417375
Energy: -0.16489068973695856
Energy: 0.2632935801021423
Energy: 0.5432648016530519
Energy: 0.21387374845843896
Energy: -0.12683658776189283
Energy: -0.3821383873585134
Energy: 0.20964870307609376
Energy: -0.35579329396980114
Energy: 0.5986115182137755
Energy: -0.05367009476521375
Energy: -0.06462750864521367
Energy: 0.176177425043209
Energy: -0.15492667852941458
Energy: -0.18093111654154273
Energy: 0.5244416822624951
Energy: -0.18064846918110522
Energy: -0.18054933147392238
Energy: -0.1139203510285933
Energy: -0.17835579729723403
Energy: -0.1799223739189163
Energy: 0.5322653749360756
Energy: -0.17867367424830075
Energy: -0.17693173947206162
Energy: -0.17035870003491752
Energy: 0.3400874405470128
Energy: -0.16886099491207046
Energy: 0.42955716013724016
Energy: 0.39451272116553576
Energy: -0.17915113311210598
Energy: -0.17749617007397514
Energy: -0.15745875016690372
Energy: -0.17643235963358492
Energy: 0.5527790657670113
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Energy: 0.4292839310801333
Energy: 0.19064200843326912
Energy: 0.3880730421154011
Energy: 0.5186924689242983
Energy: -0.18071177975612707
Energy: -0.17996973662901605
Energy: 0.3842897102733643
Energy: -0.08415519048406563
Energy: -0.18088138591624636
Energy: 0.5469007893591509
Energy: 0.14854061647784886
Energy: -0.07979050476386314
Energy: -0.056454359779817255
Energy: 0.14384928695032637
Energy: -0.05404579287625691
Energy: 0.4208138515365098
Energy: 0.1152377273204939
Energy: -0.17585533224654565
Energy: -0.11559122972261504
Energy: 0.159597604360897
Energy: -0.17356777055857323
Energy: 0.5362050368208643
Energy: 0.04977993891798883
Energy: -0.17590548802992112
Energy: 0.017008580495005074
Energy: 0.12676141040792907
Energy: -0.17392530836458567
Energy: 0.6235374585724228
Energy: 0.16992456738264725
Energy: 0.23059921261141578
Energy: 0.05186541196178085
Energy: -0.025992660304267137
Energy: 0.17727434668289552
Energy: 0.6095522621903069
Energy: -0.07639789326575853
Energy: 0.15176081501777833
Energy: 0.017706479326951415
Energy: 0.1537257245859341
Energy: 0.01768595154913635
Energy: 0.5861963708948281
Energy: 0.01840478766192268
Energy: 0.01842296717208994
Energy: 0.0178598050375755
Energy: 0.22018786238341495
Energy: 0.017654553193709677
Energy: 0.5332099420981038
Energy: 0.2248788993158376
Energy: 0.07899085392364935
Energy: 0.15246573653067155
Energy: 0.219629918046644
Energy: 0.07903493302377382
Energy: 0.6227295925466972
Energy: 0.2206210176466044
Energy: 0.2360280242177023
Energy: -0.03292517434399602
Energy: 0.2377874855770621
Energy: 0.22741367650369304
Energy: 0.6093149182378094
Energy: 0.05986046857916507
Energy: 0.24583550834385415
Energy: 0.017669058817160875
Energy: -0.028689853412322577
Energy: 0.10958015181276398
Energy: 0.7095336847909576
Energy: 0.08488606454130253
Energy: 0.29449904746657013
Energy: 0.3067192346974377
Energy: -0.05894090049302506
Energy: 0.11586127486860166
Energy: 0.6420539089336892
Energy: 0.23301513291053186
Energy: 0.22169229882180172
Energy: 0.250411771813669
Energy: 0.23175331224855117
Energy: 0.24470509365583318
Energy: 0.5366078850339431
Energy: 0.23639314927295735
Energy: 0.00011576680329089104
Energy: -0.1749538769540516
Energy: 0.22640197997399028
Energy: -0.1645055155522735

minimum gb energy = -0.3821383873585134 eV
minimum distance =  2.33514121533822 Angstroms
sigma value = 43


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

Energy: 0.4706692863765073
Energy: 0.2806612491053266
Energy: 0.05117177453592527
Energy: 0.32519949565189893
Energy: 0.19013025682273138
Energy: 0.16388571502935345
Energy: 0.6732664038944468
Energy: 0.10021916086306507
Energy: 0.04779996502676711
Energy: 0.10156002084385031
Energy: 0.09890548050509963
Energy: 0.08338453567212818
Energy: 0.5843353027124588
Energy: 0.22347298664923823
Energy: 0.18484371176083847
Energy: 0.07814672762027394
Energy: 0.25248958220271184
Energy: 0.13819408082881424
Energy: 0.5949911431816455
Energy: 0.0405431800921303
Energy: 0.13244182321015602
Energy: 0.0640916986805337
Energy: -0.5454075372440268
Energy: 0.09414305220874027
Energy: 0.458998438866991
Energy: 0.08953371291872339
Energy: 0.13681875781556926
Energy: 0.17824290396964282
Energy: 0.04517788194414197
Energy: 0.11573879652137883
Energy: 0.4477251412251659
Energy: 0.08359177468388888
Energy: 0.034872195188010616
Energy: 0.21788506353173928
Energy: 0.07522293854726919
Energy: 0.18679016862083267
Energy: 0.5656409242140745
Energy: 0.21804081151632215
Energy: -0.3192054580843673
Energy: 0.058073897113071614
Energy: 0.21747385682138023
Energy: 0.05885127065188752
Energy: 0.6387682012617464
Energy: 0.19584454391030398
Energy: -0.6267410638781313
Energy: 0.07466517627728185
Energy: 0.1626603024409494
Energy: -0.5973420151123201
Energy: 0.49465091430674907
Energy: -0.6629507525649716
Energy: 0.07887369608468535
Energy: -0.11086760422519495
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Energy: 0.1788122738088275
Energy: 0.47437944020781037
Energy: 0.16516023902831214
Energy: 0.17223698905415477
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Energy: 0.18133267589092134
Energy: 0.17328747680221582
Energy: 0.44341418376195874
Energy: 0.08621258709690553
Energy: 0.0354673079623001
Energy: 0.03806340511142231
Energy: 0.03349843323199803
Energy: 0.19081806939121665
Energy: 0.48059014206456074
Energy: 0.1464027754618804
Energy: 0.17298091967366114
Energy: 0.17074418931329233
Energy: 0.16087317519178415
Energy: 0.14490074629114252
Energy: 0.4801631186330014
Energy: 0.27495180487126814
Energy: 0.12709509060515212
Energy: 0.09246902500106358
Energy: 0.2077015199664441
Energy: 0.01858970532773939
Energy: 0.4498184387642065
Energy: 0.11443212098707092
Energy: 0.30593254338846065
Energy: 0.3283839740062165
Energy: 0.05895195830479208
Energy: 0.3054724410717132
Energy: 0.4470681257251566
Energy: 0.047040561307497473
Energy: 0.04714962742139003
Energy: 0.14398266091322529
Energy: 0.16279763720782064
Energy: 0.05432666972477831
Energy: 0.4733990466985033
Energy: 0.2959771239902116
Energy: 0.2747775284448263
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Energy: 0.3238552498367875
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Energy: 0.5112936118665626
Energy: 0.3160552245798587
Energy: 0.2770005436299987
Energy: 0.06245807454520494
Energy: 0.3242304295687866
Energy: 0.06247906862302769
Energy: 0.44295152316700703
Energy: 0.27551080027161595
Energy: 0.05936830689696333
Energy: 0.29101023073351384
Energy: 0.27347920363662603
Energy: 0.06272834561060245
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Energy: 0.3050069706742346
Energy: 0.3135928884581304
Energy: 0.32532283811623597
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Energy: 0.3132106109143605
Energy: 0.442789115871815
Energy: 0.2721973833633066
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Energy: 0.1867220225991925
Energy: 0.06493772826130509
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Energy: 0.45861077917816706
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Energy: 0.06804869589581614
Energy: 0.15916710245365515
Energy: 0.19078876427674893
Energy: 0.07167058596492362
Energy: 0.4623659591370573
Energy: 0.17094559473154444
Energy: -0.5474739195168502
Energy: -0.42578118642427926
Energy: 0.06921361166037605
Energy: -0.4414784546468084
Energy: 0.44996144299541313
Energy: 0.19639784027825308
Energy: 0.08889823061827892
Energy: 0.19008255601957302
Energy: 0.18522120047704774
Energy: 0.07148152249485251
Energy: 0.45240093643523743
Energy: -0.2873752983149085
Energy: 0.18239934979161418
Energy: 0.2142533592914947
Energy: 0.021431526686500876
Energy: 0.19789601542432528
Energy: 0.4455746082058874
Energy: 0.037464046287846935
Energy: 0.07322068614957356
Energy: 0.09714957382174264
Energy: 0.039293766123558886
Energy: 0.18830894458393815
Energy: 0.45257632169253964
Energy: 0.05771972806162334
Energy: 0.06011534804281314
Energy: 0.1735933858275359
Energy: 0.07727187186262834
Energy: 0.06008715101153413
Energy: 0.5403651518256811
Energy: -0.05315451099012725
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Energy: 0.10183715339850534
Energy: 0.10140502823284823
Energy: 0.0960135769284922
Energy: 0.6588549723203706
Energy: 0.2041710117776495
Energy: -0.5217197776970922
Energy: 0.04199702618222043
Energy: 0.18990405977723646
Energy: -0.5978667010537861
Energy: 0.6455257848684803
Energy: 0.20028304628433521
Energy: 0.08314946028209376
Energy: 0.14676238292111793
Energy: 0.19966963394348233
Energy: 0.08757934587521826
Energy: 0.45414195990068695
Energy: 0.1126400757902677
Energy: 0.08022308634358746
Energy: 0.22517902467704168
Energy: 0.11436240493670849
Energy: 0.18798076488775858
Energy: 0.4726207753764191
Energy: 0.13075170785155785
Energy: 0.17804164043583787
Energy: 0.18456510342650226
Energy: 0.12498764722331808
Energy: 0.10520968026175148
Energy: 0.6459880662897486
Energy: 0.016162052193286185
Energy: 0.22403086986381657
Energy: 0.12232437562112707
Energy: 0.252196157636972
Energy: 0.11611057890086
Energy: 0.5891863156622562
Energy: 0.23151101820670783
Energy: 0.21590378563508883
Energy: 0.00819233471805207
Energy: 0.23523885292137856
Energy: 0.21516215209621983
Energy: 0.6536738464965786
Energy: 0.15634529774625655
Energy: 0.1514608368265903
Energy: 0.1014338859268155
Energy: 0.12250572403341028
Energy: 0.08870154454376701

minimum gb energy = -0.6629507525649716 eV
minimum distance =  2.37898400870069 Angstroms
sigma value = 81


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

Energy: -0.03460663263212991
Energy: -0.033409511657636795
Energy: -0.03378402130387928
Energy: -0.03260097591941818
Energy: -0.03170644560798702
Energy: -0.03395466222295541
Energy: -0.005399289487088141
Energy: -0.03362304717788711
Energy: -0.033531785556240146
Energy: -0.005559244609514846
Energy: -0.030892450872766947
Energy: -0.03371478127451474
Energy: -0.007300030999385284
Energy: -0.033775762785978276
Energy: -0.03389491993855402
Energy: -0.0072346033237452164
Energy: -0.03374185055133935
Energy: -0.006704689426154305
Energy: -0.0308153704192712
Energy: -0.03389833474179679
Energy: -0.03378146292146137
Energy: -0.029891938189224466
Energy: -0.033899175928897074
Energy: -0.006345758053952836
Energy: -0.006801171102066487
Energy: -0.007063193349744486
Energy: -0.006894269063803534
Energy: -0.005961929278009848
Energy: -0.007073822882746878
Energy: -0.0054053163063320754
Energy: -0.033294895954966576
Energy: -0.03355411444069915
Energy: -0.033920391874194634
Energy: -0.03183906282788649
Energy: -0.03360906073675514
Energy: -0.033832898727493635
Energy: -0.004226331110507783
Energy: -0.033689150294874785
Energy: -0.03358241700384742
Energy: -0.006657549687193557
Energy: -0.03357364551306418
Energy: -0.03347311757698622
Energy: -0.004756587162199144
Energy: -0.03400998800461422
Energy: -0.03389473083150425
Energy: -0.006987438078513094
Energy: -0.033988142680799284
Energy: -0.006140534901559675
Energy: -0.03268948429073964
Energy: -0.03386930727835167
Energy: -0.005056018564015533
Energy: -0.03216392034920901
Energy: -0.03383668457489295
Energy: -0.005281204874079603
Energy: -0.03386894184706777
Energy: -0.007006713061698616
Energy: -0.0061069714130961225
Energy: -0.033448926520755096
Energy: -0.0071144100743870285
Energy: -0.006730206203767499

minimum gb energy = -0.03460663263212991 eV
minimum distance =  2.5293047689375 Angstroms
sigma value = 3


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

Energy: 0.3288479665474542
Energy: 0.3733785591958312
Energy: -0.49930188315942947
Energy: 0.28044567557637157
Energy: 0.3727771831068943
Energy: -0.5624759424246849
Energy: 0.44433509519942793
Energy: 0.35126252686786485
Energy: 0.3442754831112879
Energy: 0.323053707134805
Energy: 0.35229655466104465
Energy: 0.3278035015801639
Energy: 0.38303477441368233
Energy: -1.055917140618876
Energy: -0.832473509105541
Energy: 0.3456862889842312
Energy: -0.8824085749559513
Energy: 0.3422891514139585
Energy: 0.4749256729877764
Energy: -0.9719164606827656
Energy: -0.7403843593466871
Energy: 0.4174314430849092
Energy: -0.5422438623156828
Energy: 0.3395344419539316
Energy: 0.38542696470087734
Energy: 0.34445612590271263
Energy: 0.34318439424502667
Energy: 0.3044444027146598
Energy: 0.34886657379509467
Energy: 0.3285496300523502
Energy: 0.3327276129312449
Energy: 0.35103498318086224
Energy: -0.5516895060158343
Energy: 0.3690687627125187
Energy: 0.3441854736921303
Energy: -0.8093473000124911
Energy: 0.4831058279325958
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Energy: 0.3450605645097226
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Energy: 0.4223341601830836
Energy: 0.3733756608028279
Energy: 0.41653542746201716
Energy: 0.3403934439875238

minimum gb energy = -1.2449904415611361 eV
minimum distance =  2.36884004125235 Angstroms
sigma value = 67


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

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Energy: -0.8975961147453777
Energy: -1.967208923890456
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Energy: -0.7915195398472075
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Energy: -0.8076734187143041
Energy: -0.8648743453025628
Energy: 0.5399012214603455
Energy: -0.8562988426159102

minimum gb energy = -2.774837032505605 eV
minimum distance =  2.3692466269101 Angstroms
sigma value = 33


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

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Energy: 0.470967200056838
Energy: -0.40054495407684754
Energy: -0.05319030982829804
Energy: -1.2292732780510789

minimum gb energy = -2.6088956952566917 eV
minimum distance =  2.36396251850768 Angstroms
sigma value = 41


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

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Energy: 0.6856233293854286
Energy: 0.6845167361410095
Energy: 0.6868036511460864
Energy: 0.6613588162884326
Energy: 0.6402000720313636
Energy: 0.6873315255480739
Energy: 0.661106590239219

minimum gb energy = -0.9280200398541855 eV
minimum distance =  2.37764563837462 Angstroms
sigma value = 11


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

Energy: 0.8800374787066115
Energy: -0.2382880945408659
Energy: 0.8316660160888738
Energy: 0.3174433416483632
Energy: -0.02710728027764158
Energy: 0.9074718969434442
Energy: 1.1730680601439685
Energy: -0.1467207542737099
Energy: -1.884781005576875
Energy: 0.740938546004596
Energy: -0.4862223488955051
Energy: 0.7617638694263229
Energy: 1.1935961644587827
Energy: 0.8188601536237959
Energy: 0.817851525327289
Energy: 0.8237497919736003
Energy: 0.8204221829127394
Energy: 0.8209509269858302
Energy: 0.9015610889776521
Energy: 0.8226677095749504
Energy: 0.796304336519777
Energy: 0.7887364881504764
Energy: 0.8235647473022324
Energy: 0.795498418765946
Energy: 0.9166444591437908
Energy: 0.8290854634758518
Energy: 0.8285028496199315
Energy: 0.470382565628143
Energy: 0.8119522084885652
Energy: 0.8284248723340089
Energy: 0.9021600848857394
Energy: 0.8313025601692313
Energy: 0.8314581771081646
Energy: 0.8282061320003419
Energy: 0.8311850892216679
Energy: 0.8324120672385374
Energy: 0.9313675400366932
Energy: 0.8295295878247305
Energy: 0.8326607514040307
Energy: 0.8282626606859461
Energy: 0.8263474419933374
Energy: 0.8232202161153123
Energy: 1.0211305851753443
Energy: 0.8286467673378742
Energy: 0.8284476843537177
Energy: 0.775566602462365
Energy: 0.8200610111362155
Energy: 0.8287657998526572
Energy: 0.8940868684330822
Energy: 0.8232992037878183
Energy: 0.8217075033477295
Energy: 0.8249372806709858
Energy: 0.8264123214634402
Energy: 0.8231618648025383
Energy: 0.892276456654126
Energy: 0.793871535113976
Energy: 0.7945246181750067
Energy: 0.8246733605234562
Energy: 0.7869054597867298
Energy: 0.8232725140547842
Energy: 0.9763980192215912
Energy: -0.3961989465327587
Energy: 0.03132732819768479
Energy: -0.3457181736043235
Energy: 0.513513753628309
Energy: 0.8315010153127916
Energy: 0.9136101108437978
Energy: -0.5749183592963377
Energy: 0.7983104730560906
Energy: -1.3214716603591323
Energy: 0.8002576443023387
Energy: -0.01399867021359622
Energy: 0.9152684242273957
Energy: 0.43475283648633395
Energy: 0.793699069431259
Energy: 0.8173450017834002
Energy: 0.4624785993234238
Energy: -0.415951580856334
Energy: 0.8893838257103182
Energy: 0.827941939225665
Energy: 0.8280051653407563
Energy: 0.8217074765265331
Energy: 0.8188175033704006
Energy: 0.8278167527536975
Energy: 0.9166994317564026
Energy: 0.8304490300516019
Energy: 0.8281789859957885
Energy: -0.847100937189289
Energy: 0.8286238873699657
Energy: 0.8275779837759442
Energy: 0.9733212955552718
Energy: 0.8312232508310179
Energy: 0.8299579429292117
Energy: 0.752097040343371
Energy: 0.8288255438252584
Energy: 0.8299637355946659
Energy: 0.9578754466810004
Energy: 0.8306948878069638
Energy: 0.8294009966872345
Energy: 0.8426800308244279
Energy: 0.8304867725366646
Energy: 0.8293929237681382
Energy: 0.8782348603596439
Energy: 0.7949948115491846
Energy: 0.8353772842631503
Energy: 0.8457195037570194
Energy: 0.796300979087242
Energy: 0.8393226291487814
Energy: 0.9242125967685273
Energy: 0.8301780260482271
Energy: 0.8293937585161009
Energy: 0.7933895349572491
Energy: 0.8292306399595498
Energy: 0.8289189248555777
Energy: 0.9086780337578413
Energy: 0.818424707872297
Energy: 0.8177904334416053
Energy: 0.8192315061544567
Energy: 0.8207091534470158
Energy: 0.8027854152346746
Energy: 1.0731323243144473
Energy: 0.8234830805417694
Energy: 0.7524124308556172
Energy: 0.006228452216823459
Energy: -0.9686912488598151
Energy: 0.7971754696066925
Energy: 0.9410594569348238
Energy: 0.796464715829041
Energy: 0.7949290953651349
Energy: 0.77163707931114
Energy: -0.018805544454509562
Energy: 0.7571150579922268
Energy: 0.8752221749468801
Energy: 0.8375306898736747
Energy: 0.811082338857713
Energy: 0.8110587028868629
Energy: 0.8389399409007696
Energy: 0.8334706151673283
Energy: 1.09851738330606
Energy: 0.5110521897607441
Energy: 0.8296928976315511
Energy: 0.8056644497960052
Energy: 0.861831679614717
Energy: 0.830198721685948
Energy: 0.9428322117351616
Energy: 0.8594043830314504
Energy: 0.8440026263600147
Energy: 0.7247087781073686
Energy: 0.8335116939865338
Energy: 0.8271801370222035
Energy: 0.9113019562298832
Energy: -0.3708112410825662
Energy: 0.8282447053829549
Energy: 0.8301289269865687
Energy: -0.1865529350929258
Energy: 0.8284845375396367
Energy: 0.9149759871283102
Energy: 0.8304100602714186
Energy: 0.829690318028678
Energy: 0.8278345514169038
Energy: 0.8123225917182002
Energy: 0.8292465322822022
Energy: 0.9101082621390207
Energy: 0.8433420609213125
Energy: 0.827602998201733
Energy: 0.827928076373
Energy: -0.23740677786062553
Energy: 0.8272980831619148
Energy: 0.9237362215707038
Energy: 0.8230695702232736
Energy: 0.822162879284081
Energy: -0.5756567234654959
Energy: 0.8215827135481952
Energy: 0.8211910912943056
Energy: 1.1911125204465198
Energy: 0.7656539012920531
Energy: 0.8495228155622755
Energy: 0.7345384540932448
Energy: 0.7737947477317227
Energy: 0.8305104766092499
Energy: 0.8572731660675256
Energy: 0.8455208871480671
Energy: 0.8420013668575769
Energy: 0.8054115351240767
Energy: 0.8500653930735976
Energy: 0.8418677978232995

minimum gb energy = -1.884781005576875 eV
minimum distance =  2.34875373057405 Angstroms
sigma value = 57


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

Energy: 1.638013739605804
Energy: 0.962769495350198
Energy: 0.9547540692569673
Energy: 0.9547263248263748
Energy: 1.017850923500538
Energy: 0.9533365582733692
Energy: 1.201168159669505
Energy: 0.9647704030540751
Energy: 0.9649705280258014
Energy: 0.9631099633625582
Energy: 0.9662053765243045
Energy: 0.9238723510207169
Energy: 1.213524135607274
Energy: 0.9041277986416173
Energy: 0.9030937735757735
Energy: 1.0165257370036407
Energy: 0.9055899814322557
Energy: 0.9671415001036684
Energy: 1.051623924552595
Energy: 0.9246670766512434
Energy: 0.9237285406472021
Energy: 0.9646701712974275
Energy: 0.90944953520085
Energy: 0.9231137742659151
Energy: 1.0225622181447922
Energy: 0.9245685747624331
Energy: 0.9217560176126073
Energy: 0.9634901529290976
Energy: 1.0173412206303782
Energy: 0.9206574260868167
Energy: 1.0508799306055405
Energy: 0.9691933840317681
Energy: 0.9245321548262542
Energy: 0.9270373213561062
Energy: 0.9632563023491985
Energy: 0.9234794525851644
Energy: 1.0683206388918718
Energy: 0.9111471478453292
Energy: 0.9090616572999132
Energy: 0.9697372170257014
Energy: 0.9097231667676156
Energy: 0.9224798837178834
Energy: 1.196718320249754
Energy: 0.9268463872944042
Energy: 0.9226937193281503
Energy: 0.9639813918686524
Energy: 0.9272074587914443
Energy: 0.9231900303332011
Energy: 1.0892404856306108
Energy: 0.9654566912117698
Energy: 0.9101438259943834
Energy: 0.9115544910953759
Energy: 1.0151142718488118
Energy: 0.9092100748805562
Energy: 1.0898378614521582
Energy: 0.9655049070335695
Energy: 0.9102732547720996
Energy: 0.9113557041095407
Energy: 1.015538875182792
Energy: 0.9093330255614985
Energy: 1.196293909090853
Energy: 0.9242842924493567
Energy: 0.9238216900866569
Energy: 0.9639969379396267
Energy: 0.9270965470819374
Energy: 0.9245866109515466
Energy: 1.0520102019128426
Energy: 0.903504681200553
Energy: 0.9027865464068418
Energy: 1.0155862408642884
Energy: 0.9053042278622901
Energy: 0.9659380707126604
Energy: 1.0520653375335947
Energy: 0.9636936302790275
Energy: 0.9246240340640914
Energy: 0.9665401867819967
Energy: 0.9648281530230443
Energy: 0.9210741537869003
Energy: 1.051484688716133
Energy: 0.9240197535202976
Energy: 0.9223683210404207
Energy: 0.9269878640250645
Energy: 0.9942303436973919
Energy: 0.9226161274118402
Energy: 1.0183790747412487
Energy: 0.9090524428435657
Energy: 0.9204481378315232
Energy: 0.9280966913308739
Energy: 0.909422065500364
Energy: 0.9200614391659
Energy: 1.2006284903673
Energy: 0.9114702575697896
Energy: 0.9103063269672631
Energy: 0.9263393181884585
Energy: 0.9084215064621135
Energy: 0.9231267679081323
Energy: 1.0681489812249125
Energy: 0.9665165324001449
Energy: 0.9655631592828962
Energy: 0.9465550952134988
Energy: 0.9659907485341861
Energy: 0.9251265702949049

minimum gb energy = 0.9027865464068418 eV
minimum distance =  2.35843954873203 Angstroms
sigma value = 9


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

Energy: 1.1061736585155564
Energy: 0.0938745143376381
Energy: 0.9617096396684942
Energy: 0.4198615486871214
Energy: 0.11735590374712504
Energy: 0.9611470756808459
Energy: 1.2374508086782186
Energy: 0.8476594272604745
Energy: 0.9324157278290351
Energy: -1.107437545586305
Energy: 0.8993273414755191
Energy: 0.9096564000943047
Energy: 1.0670267785253666
Energy: -0.029872749319520022
Energy: 0.8962364776505986
Energy: 0.9538181425531357
Energy: -0.021992156162167216
Energy: 0.861937946536321
Energy: 1.0384107974240522
Energy: 0.9001018695642998
Energy: 0.2406983910777519
Energy: 0.8388253817980932
Energy: 0.9215701515379918
Energy: 0.885237324978032
Energy: 0.9965672415998659
Energy: 0.9078421116502309
Energy: 0.9316317261202641
Energy: -0.7083745322558412
Energy: 0.9132598870534266
Energy: 0.8697318936958162
Energy: 0.9966424797811921
Energy: 0.8209157536639977
Energy: 0.9093786659736077
Energy: 0.7723911368138301
Energy: 0.9061365869810875
Energy: 0.9095349031919926
Energy: 1.049810239596336
Energy: 0.8824342800238133
Energy: 0.9517030715019357
Energy: 0.28433567372005103
Energy: 0.913879591269302
Energy: 0.9531739476402353
Energy: 1.1319123159637219
Energy: 0.863463472541523
Energy: 0.8427692829749269
Energy: 0.9203928786346712
Energy: 0.8991251658533213
Energy: 0.8904944545873681
Energy: 1.0975109857884404
Energy: 0.8924816002048808
Energy: 0.9038281724139668
Energy: 0.9204166777769205
Energy: 0.9011645728686333
Energy: 0.8718157746484924
Energy: 1.0996125122931846
Energy: 0.8434860134766178
Energy: 0.8427647151558737
Energy: 0.9527778653613589
Energy: 0.8687046385152501
Energy: 0.8588121577039657
Energy: 1.128245181351592
Energy: 0.9148857250208748
Energy: 0.9554507214831104
Energy: 0.667795560798938
Energy: 0.9268440495716476
Energy: 0.8847094295718485
Energy: 1.0640793530116082
Energy: 0.6827959636751608
Energy: -0.9416095043083067
Energy: 0.893093554740461
Energy: 0.6853666419641822
Energy: 0.9089054198801174
Energy: 1.0170138297165412
Energy: 0.824746232931361
Energy: 0.9169929553269051
Energy: 0.9661003409009358
Energy: 0.7468192897402199
Energy: 0.8830134641807784
Energy: 1.1595609543148138
Energy: 0.5310597185860683
Energy: 0.8884853534794565
Energy: 0.9640088328049605
Energy: 0.8915122736751196
Energy: 0.9613418181218911
Energy: 1.0611242557666603
Energy: -0.7268529779620351
Energy: 0.7154505116124471
Energy: -1.0104053775522714
Energy: 0.8997681507327487
Energy: 0.9423876684802914
Energy: 1.0113253795588466
Energy: 0.8751913873837469
Energy: 0.8613651854257386
Energy: -0.9951585140312142
Energy: 0.8800216367479833
Energy: 0.8582735896335026
Energy: 1.0002594708468586
Energy: 0.2899941041981666
Energy: 0.2897450559433154
Energy: 0.8589868440331706
Energy: -0.9518754489022233
Energy: 0.8483950931209354
Energy: 1.009429037139803
Energy: 0.8954177390885176
Energy: 0.845388746270264
Energy: 0.2691782678320424
Energy: 0.8289266545294123
Energy: 0.931297806753608
Energy: 1.0483816265736725
Energy: 0.7309037749065789
Energy: 0.7267584635833555
Energy: -0.9129788757263356
Energy: -0.8379190265471792
Energy: 0.8572701719661834
Energy: 1.067323266202637
Energy: -0.19542740353516794
Energy: 0.9053873812249216
Energy: -0.14067332069372174
Energy: -0.21836537781074372
Energy: 0.899515695837342
Energy: 1.093408055811074
Energy: 0.9333863808291981
Energy: 0.9320355369305192
Energy: 0.9279553748329675
Energy: 0.9045429077087532
Energy: 0.9618298358477986

minimum gb energy = -1.107437545586305 eV
minimum distance =  2.33187135004788 Angstroms
sigma value = 27


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

Energy: 1.1750793798644839
Energy: 1.5898901272100785
Energy: 1.0109609053770898
Energy: 1.033309418458941
Energy: 1.5897913367168444
Energy: 1.0094907385062195
Energy: 1.2465077067892116
Energy: 0.9999476628153138
Energy: 0.9996846230342954
Energy: 0.9951708214533098
Energy: 1.0015371742204233
Energy: 1.0216931596014063
Energy: 1.1351369138796832
Energy: 0.9996133320493175
Energy: 0.9993654536176293
Energy: 1.0384962187861713
Energy: 0.9993381493809168
Energy: 1.0077787631886608
Energy: 1.1074964760167818
Energy: 0.9987829150925561
Energy: 1.0018738182242517
Energy: 0.9942144776932088
Energy: 0.996584266426457
Energy: 1.0043663976030046
Energy: 1.0399985679331065
Energy: 1.0159051702944764
Energy: 1.018734167142255
Energy: 0.9923446060183166
Energy: 1.018989399027088
Energy: 0.999613572033072
Energy: 1.074819697068826
Energy: 1.0022110066419478
Energy: 1.0026076871236829
Energy: 1.004368111232412
Energy: 1.0030743580043862
Energy: 1.003482406251813
Energy: 1.1191264144384885
Energy: 1.0028186150603244
Energy: 1.0051338077005123
Energy: 0.9952711047667043
Energy: 0.9933402656577566
Energy: 1.006312735547629
Energy: 1.1349117621313174
Energy: 0.9938162710036677
Energy: 1.0023742446224395
Energy: 1.0155853188556063
Energy: 0.99396150850157
Energy: 1.00418632209507
Energy: 1.2499342083104776
Energy: 1.015382609917589
Energy: 1.0080798878275665
Energy: 0.9958770830993424
Energy: 1.0193120718009319
Energy: 1.0056838658982408
Energy: 1.2497301758531432
Energy: 1.018168562612694
Energy: 1.0071001775289736
Energy: 0.9997866894380523
Energy: 1.0209017633471145
Energy: 1.0071776542321194
Energy: 1.1357718392618046
Energy: 1.0009990058590963
Energy: 1.005175051804161
Energy: 1.017250063716888
Energy: 0.9926234340453707
Energy: 1.0095193915122802
Energy: 1.1348095219406782
Energy: 0.9968763051254251
Energy: 0.9952012578277267
Energy: 1.0024320605231059
Energy: 1.000127772573846
Energy: 0.9990980177997475
Energy: 1.0442681152693507
Energy: 1.0164861816755362
Energy: 1.0065618641562728
Energy: 0.9952320962655617
Energy: 0.9959396403973232
Energy: 1.0039995028190984
Energy: 1.038433963609431
Energy: 1.0143704805461897
Energy: 1.010641148718873
Energy: 0.992992961576517
Energy: 1.0184354075292772
Energy: 0.9971915104275778
Energy: 1.140051945218976
Energy: 1.0011377749130506
Energy: 1.008143941950456
Energy: 1.0201163865261347
Energy: 0.9994145652632579
Energy: 1.0070766029783502
Energy: 1.1160358178037402
Energy: 1.0055403594707237
Energy: 1.0056532155422706
Energy: 1.0196651656793563
Energy: 1.00024664862838
Energy: 1.0070825549619098
Energy: 1.04251642646274
Energy: 1.0269689987644401
Energy: 1.0045618562412946
Energy: 0.9929176773152742
Energy: 0.9986033924427468
Energy: 1.0015312306895812
Energy: 1.0498628490350614
Energy: 1.0153700931023821
Energy: 1.0118042071140305
Energy: 0.9966365776805641
Energy: 1.0122203915702812
Energy: 1.0048377866108855
Energy: 1.1079868114105076
Energy: 0.9955775976429415
Energy: 1.003338385172551
Energy: 1.0200682143718578
Energy: 0.9937018326245384
Energy: 1.0038553028991986
Energy: 1.1377430294769855
Energy: 0.9955556755929968
Energy: 1.0002066730925558
Energy: 1.020191465174006
Energy: 0.9936239637275482
Energy: 1.0031875455487949
Energy: 1.245458474841178
Energy: 1.016034802574517
Energy: 1.0051111783565099
Energy: 0.9956967326629519
Energy: 1.015763237633763
Energy: 1.0030467775453198
Energy: 1.0430943266421397
Energy: 1.0161119454353305
Energy: 1.0085464949919696
Energy: 1.0005196986956684
Energy: 1.0193755133400126
Energy: 1.0063021294840284
Energy: 1.135948620661454
Energy: 0.9969335739555618
Energy: 1.0210453193704363
Energy: 1.0033728511543476
Energy: 0.9963831730529866
Energy: 0.9991329195324569
Energy: 1.1388084063212363
Energy: 0.9982008776008521
Energy: 0.9986448953322893
Energy: 1.0214506884589483
Energy: 0.9961224344864533
Energy: 1.0096882102856344
Energy: 1.0383519333226796
Energy: 1.0124785766214037
Energy: 1.0101015857029647
Energy: 0.9928326598336469
Energy: 0.999106059703216
Energy: 0.9971317090915225

minimum gb energy = 0.9923446060183166 eV
minimum distance =  2.32049179374783 Angstroms
sigma value = 19


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

Energy: 1.0487048070575933
Energy: 0.8511349763795382
Energy: 0.1645120852581563
Energy: 0.8868213650363577
Energy: 0.7127641672820559
Energy: 0.8566201809683781
Energy: 1.2369697698980446
Energy: 0.4589638934458597
Energy: 0.8558357942483477
Energy: 0.8385677004473265
Energy: 0.01332061853868681
Energy: 0.8335443216701118
Energy: 1.0305636493796955
Energy: 0.8847935457387438
Energy: 0.8804528257349674
Energy: 0.7882339896268321
Energy: 0.849861478473745
Energy: 0.8780390809580115
Energy: 1.0417132381339012
Energy: 0.8028376440736894
Energy: 0.8516895696053373
Energy: 0.8635083352603532
Energy: 0.859522198949448
Energy: 0.8433126753094491
Energy: 1.0390700965367536
Energy: 0.6708461550978517
Energy: 0.7663338564901486
Energy: 0.8995488428762662
Energy: 0.10739952326317156
Energy: 0.8171643843990427
Energy: 1.043452327510988
Energy: 0.6024168985797209
Energy: 0.8806303334451954
Energy: 0.2847456630053832
Energy: 0.8030648070617875
Energy: 0.8603159740407164
Energy: 1.0245341910075256
Energy: 0.873515851615042
Energy: 0.8875364043765015
Energy: 0.8938271507402957
Energy: 0.8819270341421248
Energy: 0.8775735998482592
Energy: 1.0204585238674968
Energy: 0.8561753550353598
Energy: 0.8035965573550032
Energy: 0.6476602601876831
Energy: 0.8658598624099316
Energy: 0.8074203733466355
Energy: 1.04689254367468
Energy: 0.8494528753545709
Energy: 0.42220016003833943
Energy: 0.4552016461887075
Energy: 0.8858239733811374
Energy: 0.6930427029709852
Energy: 1.0358642250257855
Energy: 0.8335080833299197
Energy: 0.8284765533017507
Energy: 0.8204697626678853
Energy: 0.8324352834706542
Energy: 0.8568223668262572
Energy: 1.0046341936736194
Energy: 0.7893099039236207
Energy: 0.8720767461448986
Energy: 0.8475993474894359
Energy: 0.8502346503611186
Energy: 0.8713475560197442
Energy: 1.112910149548187
Energy: 0.8939196802479612
Energy: 0.8831934880924075
Energy: 0.7972275674301733
Energy: 0.820882861486702
Energy: 0.8831193832728053
Energy: 1.0610299914625687
Energy: 0.9034549431523539
Energy: 0.8483594073496499
Energy: 0.8086810250927478
Energy: 0.09877506986319476
Energy: 0.8477253956377397
Energy: 1.102974385973889
Energy: 0.41048908039419274
Energy: 0.7864579412405112
Energy: 0.8991717764101258
Energy: 0.710086679433731
Energy: 0.7864654619619985
Energy: 1.009560692432287
Energy: 0.3005485151307579
Energy: 0.45504726142967344
Energy: 0.841239497694102
Energy: 0.3312160170381323
Energy: 0.8653651755547216
Energy: 1.0918583319343358
Energy: 0.8807074360491599
Energy: 0.8750250977882291
Energy: 0.8528644086657298
Energy: 0.6045937204299495
Energy: 0.8386162023005653
Energy: 1.0565154443397222
Energy: 0.8627526311365742
Energy: 0.8822098797053899
Energy: 0.8229880432268045
Energy: 0.8558068268887133
Energy: 0.7709776841941102
Energy: 1.0779101154844
Energy: 0.8298580866173125
Energy: 0.8295688390471174
Energy: 0.9615722138581994
Energy: 0.8514266719299264
Energy: 0.8370230754860231
Energy: 1.0558029854935125
Energy: 0.8622796826837495
Energy: 0.8622136327996407
Energy: 0.8474933925975182
Energy: 0.844130838676523
Energy: 0.8664423883512702
Energy: 1.0109879837134617
Energy: 0.8460300084574308
Energy: 0.8620427530422119
Energy: 0.8118549275621858
Energy: 0.8682560998146008
Energy: 0.8735261361291774
Energy: 1.0367842620887964
Energy: 0.827895211481324
Energy: 0.8306172326406299
Energy: 0.41885624792875736
Energy: 0.8671299371324366
Energy: 0.956459219706647
Energy: 1.0335849475195387
Energy: 0.8573272653066156
Energy: 0.8415379418079815
Energy: 0.46290714788085824
Energy: 0.8433969298952423
Energy: 0.8875706171625553
Energy: 0.9862983109292233
Energy: 0.33574746943400896
Energy: 0.8432166234870032
Energy: 0.04154372157842838
Energy: 0.3360597234645811
Energy: 0.8742525999069356
Energy: 1.010849491858545
Energy: 0.24419092693981134
Energy: 0.8591690157875914
Energy: 0.2829478654213255
Energy: 0.8987574120937312
Energy: 0.8447461099715629
Energy: 1.070982111505408
Energy: 0.8423544583119251
Energy: 0.8617757696975443
Energy: 0.869847129766363
Energy: 0.8464768591992813
Energy: 0.8612185470244317
Energy: 1.057771226410773
Energy: 0.8437641513336355
Energy: 0.8615630225227399
Energy: 0.8215909451351973
Energy: 0.8361804327324904
Energy: 0.8611568105139337
Energy: 1.0302175310917994
Energy: 0.8547081926897067
Energy: 0.8477497438549912
Energy: 0.8299952581037426
Energy: 0.8208927373431993
Energy: 0.8381260062178547
Energy: 1.0438990234470147
Energy: 0.8244412630525952
Energy: 0.815606639315725
Energy: 0.8783079428222726
Energy: 0.3412591026432672
Energy: 0.8474262442729597
Energy: 1.0653837251060956
Energy: 0.3066239020681693
Energy: 0.36508977842030077
Energy: 0.9222530925101416
Energy: 0.2987321363242031
Energy: 0.8857758829028736

minimum gb energy = 0.01332061853868681 eV
minimum distance =  2.32604291435117 Angstroms
sigma value = 101


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

Energy: 1.079112733083457
Energy: -0.18389323170974567
Energy: 0.9701177791398127
Energy: 0.879537093707061
Energy: -0.3390640460569059
Energy: 0.8669778465549568
Energy: 1.028391678804991
Energy: -0.3603940609293236
Energy: 0.8458611323988005
Energy: 0.8514914696823314
Energy: 0.06492281800677827
Energy: 0.8491340321216416
Energy: 0.985525169604093
Energy: 0.8481148706756582
Energy: 0.8459147852866123
Energy: 0.8414091902151922
Energy: 0.8511594851284193
Energy: 0.8449993572842497
Energy: 0.9833770434689127
Energy: 0.8500469450275703
Energy: 0.8476690979726709
Energy: 0.8456567197415893
Energy: 0.8529525364487047
Energy: 0.8415387303364694
Energy: 1.0107284872924507
Energy: 0.8459121448137862
Energy: 0.8485473903477554
Energy: 0.8391396062576131
Energy: 0.8414452919938858
Energy: 0.8216400450869191
Energy: 1.0204837448041568
Energy: 0.843087848010172
Energy: 0.842204241787786
Energy: 0.15076085786179128
Energy: 0.8437537639120736
Energy: 0.8423500443214251
Energy: 1.0446237185966971
Energy: 0.8475520627615285
Energy: 0.8436343762243894
Energy: 0.8281170823335089
Energy: 0.846947837235253
Energy: 0.8405008063746701
Energy: 1.0046777389274766
Energy: 0.8495914835243056
Energy: 0.8456633550572562
Energy: 0.06692323825818329
Energy: 0.8535376233822175
Energy: 0.8409141666170015
Energy: 1.0040614856070194
Energy: 0.8748310707883424
Energy: 0.8831445324258845
Energy: -0.19974191789864246
Energy: 0.8418217979799879
Energy: 0.8599149984698101
Energy: 1.0063437301461864
Energy: 0.8393053936626156
Energy: 0.8386814857278072
Energy: 0.8749850058271774
Energy: 0.8418208324076033
Energy: 0.8387215397417612
Energy: 1.0156920362942368
Energy: 0.8554411709135238
Energy: 0.8508361804968633
Energy: 0.8449854100409309
Energy: 0.8584435455540117
Energy: 0.8486131538370283
Energy: 0.9780970583975341
Energy: 0.8550458608080185
Energy: 0.8478030173181622
Energy: 0.8607477257689017
Energy: 0.8490094477967841
Energy: 0.8466988162161947
Energy: 1.0162166859454222
Energy: 0.8651619895118505
Energy: 0.845948382307448
Energy: 0.8486828079846633
Energy: 0.8454638358897081
Energy: 0.8480072782705322
Energy: 1.013014189804648
Energy: -0.27665843542916985
Energy: -0.27709932648625724
Energy: 0.8447920941056276
Energy: -0.29955659558462777
Energy: 0.8296398191443196
Energy: 0.9761172650542308
Energy: -0.037014329722419935
Energy: 0.8559976417226426
Energy: 0.8486456810610742
Energy: -0.21120574842516276
Energy: 0.8729158082770996
Energy: 0.9860344388788441
Energy: 0.8710083121210174
Energy: 0.8405666746363251
Energy: 0.8452033704561799
Energy: -0.265344098107395
Energy: 0.8418393166917638
Energy: 1.0138698774458264
Energy: 0.8115454663705683
Energy: 0.8368976959865827
Energy: 0.8560701067197364
Energy: 0.8130499262057214
Energy: 0.850894222778763
Energy: 1.0406471144083032
Energy: 0.062315465705585785
Energy: 0.062300145780186625
Energy: 0.8566412282405486
Energy: 0.06288231306591631
Energy: 0.8359128584696562
Energy: 0.9869915953699808
Energy: 0.8503179671299859
Energy: 0.8478789138416152
Energy: 0.8404942836235778
Energy: 0.8509406943825226
Energy: 0.8442795851615932
Energy: 0.9775806871354142
Energy: 0.850554422368478
Energy: 0.8481706909732265
Energy: 0.8467791167988431
Energy: 0.8517834972438156
Energy: 0.8481425404480685
Energy: 1.0103967058174805
Energy: 0.844049718367439
Energy: 0.8471136776004176
Energy: 0.8367528908837388
Energy: 0.8447770115753094
Energy: 0.835049151282062
Energy: 1.0194309151882441
Energy: 0.8438459839012706
Energy: 0.846268049343267
Energy: -0.5348960704111189
Energy: 0.8781096644044273
Energy: 0.8481774090154937
Energy: 0.9975995408954699
Energy: 0.8700376094617942
Energy: 0.8654174452871728
Energy: -0.05850942192252101
Energy: -0.6153057394770242
Energy: 0.8696336462749067
Energy: 0.9690891809164887
Energy: -0.6309690254750886
Energy: -0.5775192245269511
Energy: 0.833210615498819
Energy: 0.8568165069895883
Energy: -0.38612008963264044
Energy: 1.0037977505026376
Energy: 0.8739668126094796
Energy: 0.870562329592663
Energy: 0.8755109420488129
Energy: 0.8534345580667057
Energy: 0.8706171873292908
Energy: 1.0036480299973065
Energy: 0.8462307439022638
Energy: 0.8744998603684061
Energy: 0.855161148070039
Energy: 0.8494362596491424
Energy: 0.8736813172513581
Energy: 1.0151754513312246
Energy: 0.8545534755731259
Energy: 0.8533850761946339
Energy: 0.8435059443274764
Energy: 0.8560887178669967
Energy: 0.8497380340601368
Energy: 0.9755679052878715
Energy: 0.8570260488118436
Energy: 0.8554237697083812
Energy: 0.8499454992417821
Energy: 0.8574904447729859
Energy: 0.8485385617430907
Energy: 1.0180320007881931
Energy: -0.01647959075769371
Energy: 0.8718231822566417
Energy: 0.8449528943845681
Energy: -0.016437138641753928
Energy: 0.8706658187928954
Energy: 1.0184851777023085
Energy: -0.016557342045748984
Energy: 0.871839189252915
Energy: 0.847552776055516
Energy: 0.8439966313395254
Energy: 0.08968315405883409
Energy: 0.975249095674125
Energy: 0.8703531308613792
Energy: 0.8730104759575177
Energy: 0.8489874003187816
Energy: 0.8757536258119574
Energy: 0.874428630686322
Energy: 0.9859660926510898
Energy: 0.8708666297274883
Energy: 0.8702786502477817
Energy: 0.8533371611499666
Energy: 0.8742890177870825
Energy: 0.8713627049559075
Energy: 1.0145560562563674
Energy: -0.12434850625228547
Energy: 0.42093659623286406
Energy: 0.8549870974740292
Energy: -0.11913118606871119
Energy: 0.42146276884140504

minimum gb energy = -0.6309690254750886 eV
minimum distance =  2.39353128530498 Angstroms
sigma value = 33


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

Energy: 0.01855258570523626
Energy: 1.0812966271247644
Energy: 0.01943058527197507
Energy: 0.020311028193933354
Energy: 1.0781825407944265
Energy: 0.02624102113870731
Energy: 0.45798916078232976
Energy: 0.10844565497001273
Energy: 0.11059719630569997
Energy: 0.11219612628187918
Energy: 0.11050254813504043
Energy: 0.1080094282561484
Energy: 1.430430333093373
Energy: 1.0786090584546513
Energy: 1.0766133913382328
Energy: 1.081225837033207
Energy: 1.080436893502809
Energy: 1.0769461246444065
Energy: 0.019114638248685374
Energy: 0.10844565497001273
Energy: 0.11059719630525552
Energy: 0.11219612628232364
Energy: 0.11050254813548491
Energy: 0.10800942825570393

minimum gb energy = 0.01855258570523626 eV
minimum distance =  2.51702490474004 Angstroms
sigma value = 1