Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Rh
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8000004738569264
cohesive_energy=5.750452274017433
mass=102.905
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.94866189897994e-19, 3.8860634040006594e-19, 4.590187991110979e-19, 5.170320128516039e-19, 5.669302019409e-19, 6.10866691775082e-19, 6.500831692454999e-19, 6.853647009028139e-19, 7.17243209389512e-19, 7.46098410567852e-19, 7.72207480995516e-19, 7.95786714518094e-19, 8.170027375055219e-19, 8.359901327950559e-19, 8.528626549277099e-19, 8.677116279716218e-19, 8.806155585818579e-19, 8.91641738177046e-19, 9.00849447292644e-19, 9.08291557757574e-19, 9.14014532694222e-19, 9.18056824341804e-19, 9.204584871161699e-19, 9.2125156455e-19, 9.20379980461104e-19, 9.17521697346048e-19, 9.1224733186692e-19, 9.040393809709379e-19, 8.922585761811359e-19, 8.76116646593586e-19, 8.54644275344718e-19, 8.266270125459599e-19, 7.905459947482799e-19, 7.44488223050682e-19, 6.86018388969486e-19, 6.12025065481464e-19, 5.184755739988379e-19, 4.0011797951535596e-19, 2.50026072442236e-19, 5.896314426680459e-20, -1.8406125606718798e-19, -4.89059610998598e-19, -8.652266520122879e-19, -1.3244665514988779e-18, -1.9350448514798397e-18, -2.8470198133189798e-18, -4.29525931632426e-18, -6.638634904745339e-18, -1.0402932884562e-17, -1.518563842001442e-17, -1.93626250572168e-17, -2.64961563024384e-17, -3.86967313703484e-17, -6.09336613089612e-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: 0.02270925284396003
Energy: 0.02834542494963751
Energy: 0.2849304528382456
Energy: 0.28424669026318244
Energy: 0.027201329334519294
Energy: 0.02506313245472254
Energy: 0.28388385732965976
Energy: 0.28481283914513034
Energy: 0.28392579748178015
Energy: 0.026434328049079442
Energy: 0.023173933732187957
Energy: 0.28292492187376167
Energy: 0.2839698088793035
Energy: 0.2850704865393443
Energy: 0.28419254498296825
Energy: 0.28309380042989596
Energy: 0.2835561972829356
Energy: 0.283270021850214
Energy: 0.2842378292001053
Energy: 0.28380349857748227
Energy: 0.28316445493642134
Energy: 0.026233125190813254
Energy: 0.023364780696789218
Energy: 0.28337177410628844
Energy: 0.2847592206323989
Energy: 0.28306371232419153
Energy: 0.025152853497262744
Energy: 0.023460527988038646
Energy: 0.2830479855015015
Energy: 0.28469062831087594
Energy: 0.283525285862366
Energy: 0.023523243300760416
Energy: 0.023702555682849086
Energy: 0.28280245911303714
Energy: 0.28314745494108495
Energy: 0.2844402131623151
Energy: 0.0241457153935469
Energy: 0.023289175716274504
Energy: 0.2826369378915383
Energy: 0.2827763854845547
Energy: 0.28320032434058184
Energy: 0.2838683235061094
Energy: 0.2835208075096381
Energy: 0.024062872335470834
Energy: 0.024219958633070537
Energy: 0.2833639984878291
Energy: 0.28437615216739975
Energy: 0.28407139875785925
Energy: 0.0249179646443955
Energy: 0.28307202498661516
Energy: 0.28301518126786096
Energy: 0.2832940355702407
Energy: 0.28364740611859945
Energy: 0.023732567157496182
Energy: 0.023349996854694823
Energy: 0.2826629702060922
Energy: 0.2842867049603502
Energy: 0.283289717548607
Energy: 0.02358574089146631
Energy: 0.023243212175546188
Energy: 0.02322640767816955
Energy: 0.28432651639367035
Energy: 0.2845521397728915
Energy: 0.28630941178958125
Energy: 0.2842203287437256
Energy: 0.023345804761034584
Energy: 0.2843625990269298
Energy: 0.2834780365488681
Energy: 0.28358864869504957
Energy: 0.2850619011058205

minimum gb energy = 0.02270925284396003 eV
minimum distance =  2.65352294098826 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 2.1173403049675987
Energy: 1.521416177253246
Energy: 1.619540679527323
Energy: 1.6042322704778351
Energy: 1.5437483006035178
Energy: 1.8724853769986192
Energy: 1.5442094369420707
Energy: 1.6008569477940684
Energy: 1.6088988166431435
Energy: 1.5239700208309408
Energy: 1.5167438081393667
Energy: 1.8450889926322354
Energy: 1.6016520160561294
Energy: 1.4830466085745817
Energy: 1.533319605027347
Energy: 1.5830454087122048
Energy: 1.873081050639831
Energy: 1.6143261382555962
Energy: 1.4744357826740444
Energy: 1.6011465866773167
Energy: 1.5932420799943119
Energy: 1.7251923570711867
Energy: 1.385139107723908
Energy: 1.5845546442749885
Energy: 1.5844237126425735
Energy: 1.5208348094284956
Energy: 1.725115509505295
Energy: 1.3866510525252838
Energy: 1.5883407318489247
Energy: 1.5850610248344883
Energy: 1.598536863846376
Energy: 1.5665885029599245
Energy: 1.7290824378171856
Energy: 1.5166688271486735
Energy: 1.5931124639320977
Energy: 1.5978567025949375
Energy: 1.6612453123350985
Energy: 1.727751500013815
Energy: 1.5623995922597134
Energy: 1.5892883113435483
Energy: 1.5273718819562114
Energy: 1.6346655704788238
Energy: 1.7485436350231336
Energy: 1.6075615255618438
Energy: 1.5226117372904697
Energy: 1.5963556982614722
Energy: 1.5802769846161853
Energy: 1.8775120316940286
Energy: 1.8163324576031623
Energy: 1.5211530139339609
Energy: 1.577966505422667
Energy: 1.7778529964404752
Energy: 1.8271874975292588
Energy: 1.5220978414815631
Energy: 1.6129412551160258
Energy: 1.5874070675867638
Energy: 1.7749916693094456
Energy: 1.5550862044360976
Energy: 1.6248562816230396
Energy: 1.6167348732816693
Energy: 1.6159337456818963
Energy: 1.660082910978721
Energy: 1.7822116561925245
Energy: 1.5527939083356739
Energy: 1.6103578568634227
Energy: 1.6080613392628174
Energy: 1.8382870668539624
Energy: 1.7814475023607035
Energy: 1.5242698251784292
Energy: 1.6136952014099977
Energy: 1.609098062321782
Energy: 1.5512015099228404
Energy: 1.8478187228987906
Energy: 1.7500502343944548
Energy: 1.6087234651487308
Energy: 1.6051754083926988
Energy: 1.5551797713136242
Energy: 1.8321090966307134
Energy: 1.5580024180490677
Energy: 1.6122920835838117
Energy: 1.6068665886529292
Energy: 1.4882218461776713
Energy: 1.5323940184446627
Energy: 1.8008586745308266
Energy: 1.6056506066989702
Energy: 1.6035430500571297
Energy: 1.4834848717152163
Energy: 1.5239887857127956
Energy: 1.8383631931454059
Energy: 1.6084484831567243
Energy: 1.386947536608681
Energy: 1.5875296538268293
Energy: 1.5215978863660884
Energy: 1.5183749909105249
Energy: 1.7237861648001815
Energy: 1.4858577438927791
Energy: 1.5854744362425497
Energy: 1.5397144042790436
Energy: 1.6097443538584777
Energy: 1.726577557622246
Energy: 1.8282113799880924
Energy: 1.523019630410399
Energy: 1.5983973005199172
Energy: 1.5920659417784904
Energy: 1.3950684369136208
Energy: 1.8249553122557192
Energy: 1.523068260421149
Energy: 1.5916700965867383
Energy: 1.5952150973278327
Energy: 1.663149589634711
Energy: 1.8116223164442462
Energy: 1.5316870781320775
Energy: 1.5638758323498343
Energy: 1.5259395796260034
Energy: 1.591566740037709
Energy: 1.8081644002517998
Energy: 1.5231917748824007
Energy: 1.550287899813147
Energy: 1.5260231750120676
Energy: 1.8114566663826295
Energy: 1.5245626223827389
Energy: 1.480030727504859
Energy: 1.8356388096221843
Energy: 1.8078613042691136
Energy: 1.7937474882560576
Energy: 1.5235882270184742
Energy: 1.6109318250378921
Energy: 1.8424923396510544
Energy: 1.6056160357245568
Energy: 1.7868294990495435
Energy: 1.5863194486250562
Energy: 1.531414515919474
Energy: 1.6117388355971822
Energy: 1.6124503432318498
Energy: 1.8840915789305668
Energy: 1.584105249038934
Energy: 1.6163353875419157
Energy: 1.6231271886752399
Energy: 1.6769100848447513
Energy: 1.8840118686171996
Energy: 1.9143510355426296
Energy: 1.545614627947498
Energy: 1.6148755557931271
Energy: 1.614989666909513
Energy: 1.5431855480612773
Energy: 1.6137040784556456
Energy: 1.5450552374835178
Energy: 1.6160778585474935
Energy: 1.611260917841305
Energy: 1.543102566438723
Energy: 1.5126215660766902
Energy: 1.8920953483746308
Energy: 1.6048300109762472
Energy: 1.4861379926306526
Energy: 1.5823618589995454
Energy: 1.7778245992215842
Energy: 1.8933438581927107
Energy: 1.6165067114408758
Energy: 1.488600657887634
Energy: 1.5547039043193227
Energy: 1.5386293499282335
Energy: 1.7273497499829853
Energy: 1.4245723996469537
Energy: 1.5904111826194725
Energy: 1.5865093173994693
Energy: 1.5387508775624354
Energy: 1.726176338596436
Energy: 1.3845765866862008
Energy: 1.5856949287772761
Energy: 1.589494754975463
Energy: 1.5955992418577931
Energy: 1.3854431684481703
Energy: 1.7239112676897772
Energy: 1.5630489752778391
Energy: 1.5387979838827965
Energy: 1.5896198020372485
Energy: 1.386622649976083
Energy: 1.7234395422494617
Energy: 1.5223923588141537
Energy: 1.538263495940898
Energy: 1.529320743287965
Energy: 1.6944347550103402
Energy: 1.8648365889532936
Energy: 1.8065425400022397
Energy: 1.5228662993094118
Energy: 1.525034548226765
Energy: 1.6201631856046725
Energy: 1.8042114698512768
Energy: 1.7806047209134876
Energy: 1.5219720023755936
Energy: 1.8075173520344063
Energy: 1.7764602594714751
Energy: 1.827995294911897
Energy: 1.617138809595108
Energy: 1.4993071908588684
Energy: 1.817972055280283
Energy: 1.7792861911896145
Energy: 1.7634170374947165
Energy: 1.7352494520099944
Energy: 1.7922645612445025
Energy: 1.616670196859115
Energy: 1.6675331225452095
Energy: 1.8338846712388435
Energy: 1.5332830400229829
Energy: 1.6111969956358505
Energy: 1.6125830672580352
Energy: 1.8466846528158742
Energy: 1.8235250865447015
Energy: 1.538151991696621
Energy: 1.6152189496373437
Energy: 1.6088407849722242
Energy: 1.5531546338553546
Energy: 1.7802442296945549
Energy: 1.5510788127067778
Energy: 1.6098285197549924
Energy: 1.6054308094242362
Energy: 1.556604131165765
Energy: 1.6723110115126991
Energy: 1.5541783259230513
Energy: 1.6105434113570358
Energy: 1.612538870749053
Energy: 1.4885306245619452
Energy: 1.552594990888198
Energy: 1.8398892285426367
Energy: 1.6070480509471943
Energy: 1.6080433000312757
Energy: 1.4817439219831188
Energy: 1.5922717849873218
Energy: 1.842326160512649
Energy: 1.602590610808953
Energy: 1.5045008209269946
Energy: 1.5941683341856692
Energy: 1.5379604319538769
Energy: 1.5269553264226228
Energy: 1.726986482070876
Energy: 1.4942259009477399
Energy: 1.5937473703255658
Energy: 1.5411221812533702
Energy: 1.8311448699835593
Energy: 1.6926128718434343
Energy: 1.8263102930215198
Energy: 1.5238981068222028
Energy: 1.6000979199694503
Energy: 1.5972662722755722
Energy: 1.3916909898511158
Energy: 1.831722744572064
Energy: 1.5230074468298669
Energy: 1.6029825816227108
Energy: 1.5033479895373394
Energy: 1.6597887896951982
Energy: 1.8402482303659706
Energy: 1.595972127435347
Energy: 1.5904547618449445
Energy: 1.5181014675335587
Energy: 1.7316190800407045
Energy: 1.8420360593794256
Energy: 1.523314193715241
Energy: 1.5248631155707648
Energy: 1.524450927980547
Energy: 1.6057836121928721
Energy: 1.5916144791509168
Energy: 1.7245121832320054
Energy: 1.7807322659777223
Energy: 1.7793618363816
Energy: 1.81641244109756
Energy: 1.5184837723938893
Energy: 1.6034925221914942
Energy: 1.7350163398821843
Energy: 1.7797953204578887
Energy: 1.8498658992727126
Energy: 1.6147790398383057
Energy: 1.6098382185741658
Energy: 1.5993464369736732
Energy: 1.65595580279757
Energy: 1.8676953305445805
Energy: 1.5389431981363868
Energy: 1.6113595544273527
Energy: 1.6045537481150316
Energy: 1.668734507609201
Energy: 1.7713760463060586
Energy: 1.841563235844479
Energy: 1.5530723913093598
Energy: 1.6137398572093744
Energy: 1.6084516143166225
Energy: 1.856780459529815
Energy: 1.7580080815679264
Energy: 1.5445222736895383
Energy: 1.6014180508784865
Energy: 1.6031913276963137
Energy: 1.7991439589565152

minimum gb energy = 1.3845765866862008 eV
minimum distance =  2.36542868920756 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.4157911241554206
Energy: 1.4546796757818496
Energy: 1.555919741867419
Energy: 1.624913797492248
Energy: 1.478538836350581
Energy: 1.4385780989023
Energy: 1.5229429600927773
Energy: 1.5758818056866541
Energy: 1.6697553994842345
Energy: 1.5512695735817719
Energy: 1.6735684415491159
Energy: 1.623612079896933
Energy: 1.5420603065604641
Energy: 1.627677360783809
Energy: 1.3953738750723172
Energy: 1.5872844324824469
Energy: 1.4536143745327892
Energy: 1.4201965244098234
Energy: 1.6636173687941112
Energy: 1.5002312404862335
Energy: 1.7017951623087668
Energy: 1.488221650780346
Energy: 1.5428820642793077
Energy: 1.385253166422654
Energy: 1.5279939489937855
Energy: 1.5546776522006147
Energy: 1.459444471914328
Energy: 1.5401275054429933
Energy: 1.4324233806575926
Energy: 1.5280386414389642
Energy: 1.4820323040705472
Energy: 1.4915155148103556
Energy: 1.6498141615304192
Energy: 1.5432945105722702
Energy: 1.5295762686895549
Energy: 1.3896790062436675
Energy: 1.4345543193589174
Energy: 1.385556002525357
Energy: 1.659145697411637
Energy: 1.530102824648121
Energy: 1.3959693035451335
Energy: 1.4128605115631228
Energy: 1.3912489756826776
Energy: 1.6570175587814162
Energy: 1.3843145641591168
Energy: 1.4470898567144674
Energy: 1.4157848593619953
Energy: 1.3904870338796538
Energy: 1.4729043561487625
Energy: 1.624430412093244
Energy: 1.407654313958015
Energy: 1.3988014358941643
Energy: 1.3888834867507407
Energy: 1.600019943874176
Energy: 1.616380901777266
Energy: 1.407442938197873
Energy: 1.398990197594378
Energy: 1.6060906651397224
Energy: 1.6142082491183845
Energy: 1.6442117032337307
Energy: 1.4404577677556616
Energy: 1.584029653310182
Energy: 1.4235177871952487
Energy: 1.6129474206397691
Energy: 1.5070690908859157
Energy: 1.427589295581403
Energy: 1.6119463527311668
Energy: 1.4177189365572973
Energy: 1.6081927655170414
Energy: 1.4677411541672394
Energy: 1.5272009631209844
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Energy: 1.5021889937447865
Energy: 1.4219083498432217
Energy: 1.511765249266308
Energy: 1.527900022502764
Energy: 1.4742792304774905
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Energy: 1.4212908618243119
Energy: 1.5477219100617752
Energy: 1.527894491570017
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Energy: 1.5496116020408424
Energy: 1.3897957271194483
Energy: 1.4644279873893618
Energy: 1.5292571820164513
Energy: 1.4277255231409314
Energy: 1.5370008323262039
Energy: 1.4546811152532138
Energy: 1.3938833748934285
Energy: 1.4307146626827048
Energy: 1.4600101128959242
Energy: 1.4595260537345704
Energy: 1.772320465692187
Energy: 1.4269410372783313
Energy: 1.4175187012026222
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Energy: 1.408486756616677
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Energy: 1.4694590258921996
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Energy: 1.6005115624728914
Energy: 1.647365442825284
Energy: 1.4587120376090774
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Energy: 1.5894113291830856
Energy: 1.658026363243564
Energy: 1.4675735903397071
Energy: 1.39681073342708
Energy: 1.6430164881458043
Energy: 1.4639053847655032
Energy: 1.6556944013544417
Energy: 1.6559056113902284
Energy: 1.5076362651872017
Energy: 1.5194550202470711
Energy: 1.4658227398525767
Energy: 1.640331986099779
Energy: 1.5066324857530495
Energy: 1.533267062967336
Energy: 1.6514378800016667
Energy: 1.542290744487953
Energy: 1.631540316733601
Energy: 1.5766062888206904
Energy: 1.5315274503303022
Energy: 1.653341050202569
Energy: 1.5408571272084277
Energy: 1.668266305773005
Energy: 1.678792098349156
Energy: 1.4670884383797904
Energy: 1.4817818989560745
Energy: 1.430677446915054
Energy: 1.5885001893413737
Energy: 1.6733188347486767
Energy: 1.5379455344727073
Energy: 1.440348969233023
Energy: 1.4636889406321645
Energy: 1.5334073728596953
Energy: 1.663815848160895
Energy: 1.4058022812679902
Energy: 1.4313397936241432
Energy: 1.435779927392998
Energy: 1.785217176654513
Energy: 1.6470749864022642
Energy: 1.396337765794823
Energy: 1.4651866174099986
Energy: 1.4900855966266155
Energy: 1.8006153082936474
Energy: 1.6478159443096039
Energy: 1.6448836678138103
Energy: 1.4480075002732158
Energy: 1.4252195266737602
Energy: 1.4082073658585497
Energy: 1.3904709890138607
Energy: 1.6286836546456738
Energy: 1.4599189401487922
Energy: 1.4580212584512986
Energy: 1.5993128121110785
Energy: 1.6230212328457747
Energy: 1.4297040898498088
Energy: 1.4304590422410386
Energy: 1.4027901483964285
Energy: 1.4185929238827073
Energy: 1.3955643707517928
Energy: 1.3956959599723702
Energy: 1.4648189944363559
Energy: 1.5266907252935231
Energy: 1.539120396267681
Energy: 1.6800555410773883
Energy: 1.5379902502673328
Energy: 1.5360451984669945
Energy: 1.5609508058081984
Energy: 1.5399245026175703
Energy: 1.685735400915204
Energy: 1.5378080279116138
Energy: 1.5369026030689976
Energy: 1.6458859789054785
Energy: 1.5536453752070651
Energy: 1.4208327573734376
Energy: 1.40205955910291
Energy: 1.5425679974505442
Energy: 1.4057560422154316
Energy: 1.397793710842309
Energy: 1.430877514577758
Energy: 1.5557182128155234
Energy: 1.4620774118040274
Energy: 1.5853537417795736
Energy: 1.3973717408692496
Energy: 1.7912623778890393
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minimum gb energy = 1.3217694319028017 eV
minimum distance =  2.4127215550169 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.5470611951097706
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Energy: 1.534196791789777
Energy: 1.5594486468003357
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Energy: 1.5310620558618322
Energy: 1.5339727253820221
Energy: 1.6051157353757095
Energy: 1.5785313402638905
Energy: 1.5543810036657904
Energy: 1.6064067652265697
Energy: 1.5095572131519852
Energy: 1.5314345580879927
Energy: 1.5525406731526343
Energy: 1.602753184489643
Energy: 1.5316735452343395
Energy: 1.5697980489446015
Energy: 1.5329413991583065
Energy: 1.5520617712514975
Energy: 1.5308475426207566
Energy: 1.5307637221829267
Energy: 1.5290442505324031
Energy: 1.686642023308377
Energy: 1.5351222715307513
Energy: 1.530244329813399
Energy: 1.5305537866888557
Energy: 1.5305081783641157
Energy: 1.6148946417690087
Energy: 1.559625256117948
Energy: 1.482890625748379
Energy: 1.4893460720787037
Energy: 1.529747791745776
Energy: 1.5314486064901969
Energy: 1.5884444930189567
Energy: 1.5454063136386722
Energy: 1.4882516768917584
Energy: 1.5304000705724268
Energy: 1.5305179226082781
Energy: 1.5337090716044819
Energy: 1.6299426998601219
Energy: 1.4835184048426262
Energy: 1.5519638760184193
Energy: 1.5522016015519766
Energy: 1.5303029068523817
Energy: 1.549651691762433
Energy: 1.5073820452898465
Energy: 1.555102017274525
Energy: 1.5535332376327207
Energy: 1.5981861980749301
Energy: 1.5765841473451159
Energy: 1.5490153525733443
Energy: 1.6335500953160706
Energy: 1.5461358343925298
Energy: 1.6359772605476837
Energy: 1.5028447363360347
Energy: 1.5490149311506236
Energy: 1.6587461201618867
Energy: 1.5460796165805801
Energy: 1.636072654217599
Energy: 1.5293162765716772
Energy: 1.497663993088129
Energy: 1.5214208100467452
Energy: 1.4851268862403637
Energy: 1.5658319427853942
Energy: 1.5296469220437827
Energy: 1.6087540488106393
Energy: 1.5139342551039963
Energy: 1.6098088979302363
Energy: 1.563216475633395
Energy: 1.534117401444958
Energy: 1.4961865708080306
Energy: 1.5370724532457913
Energy: 1.5403979084513426
Energy: 1.469399361104291
Energy: 1.6043390720409068
Energy: 1.4832959895178748
Energy: 1.5279401033274498
Energy: 1.5329157015221668
Energy: 1.5291639465820561

minimum gb energy = 1.4654180841983033 eV
minimum distance =  2.34768444013336 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.8717140644444998
Energy: 1.5004528851386318
Energy: 1.4762640001630143
Energy: 1.520104283117979
Energy: 1.494729504585365
Energy: 1.7627444573945903
Energy: 1.5073355378130797
Energy: 1.4976379859741331
Energy: 1.5460421534422677
Energy: 1.5743084064511408
Energy: 1.5152784648938342
Energy: 1.5568214291301847
Energy: 1.5213570979391002
Energy: 1.5161900408671114
Energy: 1.5695728748466764
Energy: 1.552622519069352
Energy: 1.5522105735799525
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Energy: 1.5448779135181312
Energy: 1.6563405951354375
Energy: 1.5256604376787872
Energy: 1.5008106603459068
Energy: 1.6364579503702505
Energy: 1.5464535840143476
Energy: 1.5258044632714074
Energy: 1.434189364508622
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Energy: 1.5254742575515419
Energy: 1.5543304489873349
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Energy: 1.5265758995033607
Energy: 1.3989921442344442
Energy: 1.505545557013789
Energy: 1.5650182695548904
Energy: 1.5484800535753491
Energy: 1.4772294194298135
Energy: 1.5096568422803105
Energy: 1.475285995120143
Energy: 1.5726756565648095
Energy: 1.5556427577398877
Energy: 1.5883593718454323
Energy: 1.5490215016498334
Energy: 1.4673687213325353
Energy: 1.547155710159918
Energy: 1.5657124068777322
Energy: 1.532472903953371
Energy: 1.4675714350452422
Energy: 1.5540892969112796
Energy: 1.552803630271371
Energy: 1.5122757810563048
Energy: 1.6001962277193258
Energy: 1.5592323043303535
Energy: 1.571830322767445
Energy: 1.5596758646466127
Energy: 1.6400915414751867
Energy: 1.6019617569315354
Energy: 1.572018274956284
Energy: 1.60652593772955
Energy: 1.5313881979911605
Energy: 1.5283359744767622
Energy: 1.5683071937876267
Energy: 1.547571875603775
Energy: 1.5401941828099823
Energy: 1.5397850368078423
Energy: 1.5352778066590935
Energy: 1.5063528441218403
Energy: 1.6250285053349127
Energy: 1.6376440036571347
Energy: 1.5206106708112563
Energy: 1.5167461070747326
Energy: 1.5694069794937062
Energy: 1.484397004418713
Energy: 1.4943953997084214
Energy: 1.5282756615239956
Energy: 1.5230800741947375
Energy: 1.496861540026897
Energy: 1.532277730350672
Energy: 1.555370348940738
Energy: 1.5903751035540827
Energy: 1.4503670438309981
Energy: 1.4393525027109977
Energy: 1.4998509881890296
Energy: 1.5527810196320737
Energy: 1.548111444386135
Energy: 1.4503382469477524
Energy: 1.5178869077361996
Energy: 1.4615601523128439
Energy: 1.5476127377542337
Energy: 1.5743759346116801
Energy: 1.5176104134348862
Energy: 1.5490375252313273
Energy: 1.5352221242226185
Energy: 1.5059790185806285
Energy: 1.5485022293531094
Energy: 1.4875303773528255
Energy: 1.6329321322280763

minimum gb energy = 1.3943790775741425 eV
minimum distance =  2.44184906097754 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.514620359135806
Energy: 1.3944173478480983
Energy: 1.360001857479482
Energy: 1.3532012382456555
Energy: 1.3243010318587627
Energy: 1.4507128597639252
Energy: 1.4004948418941756
Energy: 1.3816122614942727
Energy: 1.3968689512576793
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Energy: 1.3986960456743442
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Energy: 1.5910153129945512
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Energy: 1.398928813473096
Energy: 1.3940270988548609
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Energy: 1.3708931173627512
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Energy: 1.3793018044465095
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Energy: 1.3951062610308833
Energy: 1.5067598367897221
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Energy: 1.4481637957865414
Energy: 1.385794980711023
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Energy: 1.3844355692224821
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Energy: 1.4037372178240817
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Energy: 1.3739537922595382
Energy: 1.399971073120102
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Energy: 1.4588238595117125
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Energy: 1.4091694814725626
Energy: 1.4402655221325207
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Energy: 1.4104820718153068
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Energy: 1.4849309168100853
Energy: 1.4699740838163868
Energy: 1.4719114121096557
Energy: 1.3904533291375618
Energy: 1.4001587204361856
Energy: 1.487382378958455
Energy: 1.4753081370958037
Energy: 1.5364278535618336
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Energy: 1.373434534241874
Energy: 1.5764761992075151
Energy: 1.4415933758925776
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Energy: 1.3997609827827624
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Energy: 1.4642816796639626
Energy: 1.3853660375584598
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Energy: 1.4106835966206175
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Energy: 1.4080216937007264
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Energy: 1.402863016849934
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Energy: 1.372074440702095
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Energy: 1.3986840522779644
Energy: 1.4711653284444508
Energy: 1.5112806799673848
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Energy: 1.4661090881829941
Energy: 1.4062286625290736
Energy: 1.5763735208435825
Energy: 1.451487828069563
Energy: 1.4084517294056143
Energy: 1.478937665318483
Energy: 1.4022159394232632
Energy: 1.5767818216195457
Energy: 1.4510790690663575
Energy: 1.5518919206193225
Energy: 1.36043957046086
Energy: 1.3624074336520773
Energy: 1.3611620726779665
Energy: 1.4017057725755289
Energy: 1.3846483823989368
Energy: 1.3646154693712238
Energy: 1.3658604243448422
Energy: 1.3585252295187051
Energy: 1.337093573510156
Energy: 1.5348252339708226
Energy: 1.3823138830032102
Energy: 1.3576265226904067
Energy: 1.4514709764504927
Energy: 1.336202218862522
Energy: 1.5333712124117769
Energy: 1.4044933661583656
Energy: 1.3941128355945027
Energy: 1.4573938649383238
Energy: 1.4136364635827796
Energy: 1.4965369025658737
Energy: 1.4174700703152525
Energy: 1.3574494895658267
Energy: 1.3581866436755483
Energy: 1.434767998182218
Energy: 1.434038084648402
Energy: 1.3973245733983297
Energy: 1.3572681851641104
Energy: 1.4113674762610522
Energy: 1.5011297226443001
Energy: 1.3770010278128861
Energy: 1.4601375229679152
Energy: 1.4606962036016655
Energy: 1.378564738716785
Energy: 1.7260161415958832
Energy: 1.3402644112877742
Energy: 1.4340182954754899
Energy: 1.434364909482573
Energy: 1.4496470867858053

minimum gb energy = 1.3243010318587627 eV
minimum distance =  2.43313658097998 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.8374656188530054
Energy: 0.8392761207855324
Energy: 1.1457333419391378
Energy: 1.0769741566417226
Energy: 0.6234393478833199
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Energy: 0.6786360179848416
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Energy: 0.5703060200183669
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Energy: 1.1718753009981435
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Energy: 1.0512588488962205
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Energy: 1.2852580350351115
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Energy: 0.5149889403810792
Energy: 0.515038112442284
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Energy: 1.1620103776922344
Energy: 1.0461787784270093
Energy: 0.5150593699506589
Energy: 0.5150213602776275
Energy: 1.156215660448272
Energy: 1.2166037783764416
Energy: 1.137700587952125
Energy: 1.1356814957277108
Energy: 0.5157498402522116
Energy: 1.1455287938374439
Energy: 1.1775751848740703
Energy: 1.1356047865496757
Energy: 0.9559678833708672
Energy: 1.1386449302112063
Energy: 1.1328122420200313
Energy: 1.1776105305573024
Energy: 1.0918786526801239
Energy: 0.6441315176893145
Energy: 1.1456025901252989
Energy: 1.2781014370549468
Energy: 1.1820860899450971
Energy: 1.16002124940246
Energy: 0.6301601593246761
Energy: 1.047091088936429
Energy: 1.2781819751429593
Energy: 1.174231492217379
Energy: 0.5703910770045171
Energy: 0.5695187671086469
Energy: 1.11341897067823
Energy: 1.1568728002808357
Energy: 1.080581798018237
Energy: 0.6245986034074943
Energy: 0.6238294485072393
Energy: 1.130817220866446
Energy: 1.1544463205898097
Energy: 1.042076202565824
Energy: 1.109687727571442
Energy: 1.0899996110235026
Energy: 1.1425245866590326
Energy: 1.1718006445947957
Energy: 1.1184196994040985
Energy: 1.094983773103652
Energy: 1.139873436412104
Energy: 1.1450484397246952
Energy: 1.1637226496528648
Energy: 1.1209289570323526
Energy: 0.8391018976760498
Energy: 1.0344486048189443
Energy: 1.1592035255854598
Energy: 1.275633007752736
Energy: 1.1443483651563342
Energy: 0.6231867039764469
Energy: 1.163462330978791
Energy: 1.150873903015323
Energy: 1.2708129889169095
Energy: 0.8388631269381451

minimum gb energy = 0.5149889403810792 eV
minimum distance =  2.51117141398894 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 2.0911745522926157
Energy: 1.2801811896076642
Energy: 1.3042557709587856
Energy: 1.306574863314232
Energy: 1.2452062481817174
Energy: 1.2478844218429292
Energy: 1.2483106283261551
Energy: 1.377636755633621
Energy: 1.30699996152069
Energy: 1.28590026902793
Energy: 1.2603560404042504
Energy: 1.246207719916561
Energy: 1.2574172663496281
Energy: 1.2570051043898205
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Energy: 1.291748536235251
Energy: 1.309360300034774
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Energy: 1.3270944866281709
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Energy: 1.275734104728999
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Energy: 1.2753718164561425
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Energy: 1.2963263408952796
Energy: 1.2759203106045662
Energy: 1.4894641524875385
Energy: 1.309803598707404
Energy: 1.2987730772226165
Energy: 1.2754949943594045
Energy: 1.3103509654709073
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Energy: 1.2753028889265825
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Energy: 1.3093198484607451
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Energy: 1.330636406800951
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Energy: 1.2744237613746907
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Energy: 1.275233429099256
Energy: 1.2758325254103284
Energy: 1.2755365869239403
Energy: 1.35973952641038
Energy: 1.2967205111593325
Energy: 1.4359815559974245
Energy: 1.3402549841485951
Energy: 1.261168064790729
Energy: 1.2759445561804212
Energy: 1.2969223386606408
Energy: 1.3411164869924448
Energy: 1.3319449767823028
Energy: 1.259377119113643
Energy: 1.5210657134144927
Energy: 1.5799118350253218
Energy: 1.275119188471633
Energy: 1.2751340433989116
Energy: 1.2941391088666763
Energy: 1.5305025961953909
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Energy: 1.328446637883097
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Energy: 1.3300274088318362
Energy: 1.3984046422009697
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Energy: 1.2585597030231528
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Energy: 1.2876341255273898
Energy: 1.3208045242348554
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Energy: 1.2602227555371464
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Energy: 1.2909377792440795
Energy: 1.2940035389807603
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Energy: 1.256994978606567
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Energy: 1.2486752440463231
Energy: 1.2593500642417168
Energy: 1.2975883763661862
Energy: 1.3758746731596119

minimum gb energy = 1.2358455889280047 eV
minimum distance =  2.38643913346956 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.9880985884698568
Energy: 1.5138475964235303
Energy: 1.5452153400609259
Energy: 1.5132783376613679
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Energy: 1.4635486081015987
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Energy: 1.5624085714580869
Energy: 1.5161608791555632
Energy: 1.514916062009523
Energy: 1.4658523601438613
Energy: 1.5758423035495615
Energy: 1.5130162876549031
Energy: 1.5163310437086788
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Energy: 1.4654667237830703
Energy: 1.576382035300068
Energy: 1.5112236153018903
Energy: 1.5119638556455566
Energy: 1.5150580992370852
Energy: 1.5130179957808851
Energy: 1.5098911262425672
Energy: 1.5101262006798692
Energy: 1.5099330604977228
Energy: 1.5150711127319612
Energy: 1.5145650744954557
Energy: 1.643940573892502
Energy: 1.510765358382211
Energy: 1.5096846216043078

minimum gb energy = 1.4585799615692265 eV
minimum distance =  2.45770902122025 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 2.30830959910573
Energy: 1.6642621493216547
Energy: 1.7323644731469225
Energy: 1.6535034838994187
Energy: 1.6549971041491698
Energy: 1.6545784787946252
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Energy: 1.900220286107649
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Energy: 1.6951848801135194
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Energy: 1.6804132892332082
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Energy: 1.6806101554430843
Energy: 1.6979740190668773
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Energy: 1.6304685346401953
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Energy: 1.638785547234009
Energy: 1.6190292323054771
Energy: 1.6143822696167405
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Energy: 1.685684637501416
Energy: 1.7255830241762689
Energy: 1.668396680795906
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Energy: 1.616554724875881
Energy: 1.7834544799764458
Energy: 1.6887454086490081
Energy: 1.6647266746041978
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minimum gb energy = 1.5715681328853657 eV
minimum distance =  2.40061395852295 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.6561472330882663
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Energy: 1.6442098628531645
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Energy: 1.6851254709382422
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Energy: 1.7148567904293543
Energy: 1.6115037449969496
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Energy: 1.715999955278487
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Energy: 1.6237645270325578
Energy: 1.6375580147960143
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Energy: 1.5906025387197518
Energy: 1.6212884620565666
Energy: 1.6252006814635303
Energy: 1.5470846888302532
Energy: 1.612948079193784
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Energy: 1.6391029370112398
Energy: 1.5426016446884563
Energy: 1.698350879573801
Energy: 1.6109934947418274
Energy: 1.7564677944667109
Energy: 1.642913651784209
Energy: 1.71506241369593
Energy: 1.7264288607317961
Energy: 1.621704301683471
Energy: 1.6038031574708431
Energy: 1.6942087996696829
Energy: 1.5432722676730255
Energy: 1.7158557348941035
Energy: 1.6220815390682455
Energy: 1.6022498549240856
Energy: 1.6938587732034538
Energy: 1.5411311875615072
Energy: 1.607838541361097
Energy: 1.5983915422313806
Energy: 1.6164420285596646
Energy: 1.7867060092561933
Energy: 1.7411436268242984
Energy: 1.6077040477765685
Energy: 1.6021614875523784
Energy: 1.6216515635719344
Energy: 1.7888964705751813
Energy: 1.7432344058823381
Energy: 1.6088796574024278
Energy: 1.6401991735520407
Energy: 1.6111343107266214
Energy: 1.8126541946405295
Energy: 1.5993039368272028
Energy: 1.6117090305474824
Energy: 1.6228231590915352
Energy: 1.610128395499638
Energy: 1.8136733301142631
Energy: 1.5990707418879264
Energy: 1.6027926963204038
Energy: 1.6469421809230316
Energy: 1.6108588427038903
Energy: 1.6290571572507928
Energy: 1.7871423011540566
Energy: 1.655169512426827
Energy: 1.6471446518695232
Energy: 1.613787389365557
Energy: 1.629524677305529
Energy: 1.7888366669780367
Energy: 1.7484977731168454
Energy: 1.6103872249315363
Energy: 1.6011543146868947
Energy: 1.6032401505063256
Energy: 1.7882182616172209
Energy: 1.7495765132464332
Energy: 1.7485880446198596
Energy: 1.6016582133695505
Energy: 1.6050201140379667
Energy: 1.7868514703125056
Energy: 1.5339291519121003
Energy: 1.6053145068906336
Energy: 1.8620479967184242
Energy: 1.5998557063270649
Energy: 1.6275890231583654
Energy: 1.5339708607619345
Energy: 1.605519316582261
Energy: 1.8565492925079137
Energy: 1.6008980164896414
Energy: 1.542174541378816

minimum gb energy = 1.5289928233690886 eV
minimum distance =  2.40742105678356 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.4721359442558488
Energy: 1.5115581196853929
Energy: 1.504786494785151
Energy: 1.6377336444542288
Energy: 1.4849785801562398
Energy: 1.473312910214534
Energy: 1.5106484940737572
Energy: 1.506772260146317
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Energy: 1.4847351095139905
Energy: 1.479246990317925
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Energy: 1.6585232973674655
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Energy: 1.512441084262328
Energy: 1.5110675042057733
Energy: 1.5136923063009666
Energy: 1.5063393724183132
Energy: 1.5115291941289757
Energy: 1.5121933331381792
Energy: 1.5135645272898934
Energy: 1.5105695092636322
Energy: 1.508572272980227
Energy: 1.5098490881984346
Energy: 1.512365968922479
Energy: 1.6612456911766742
Energy: 1.5049527425469595
Energy: 1.4762370200867103
Energy: 1.4831881362182702
Energy: 1.516199486702822
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Energy: 1.511812113534447
Energy: 1.5100902554175715
Energy: 1.5134152446610165
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Energy: 1.652026543350449
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Energy: 1.4743999934580805
Energy: 1.480138519079767
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Energy: 1.5146880589165095
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Energy: 1.480517639233511
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Energy: 1.4790342446255773
Energy: 1.5110130804065036
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Energy: 1.5103058985619606
Energy: 1.7123514538498061
Energy: 1.7337200170289904
Energy: 1.6745254149732922
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Energy: 1.4794719330571466
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Energy: 1.505131876348593
Energy: 1.67818717867868
Energy: 1.485107673814644
Energy: 1.4740607454975037
Energy: 1.5095342241444811
Energy: 1.6718792811547558
Energy: 1.5081707058502583
Energy: 1.4842362419520838
Energy: 1.6629839643172954
Energy: 1.5096782155070287
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Energy: 1.7226101380494658
Energy: 1.4788797271377843
Energy: 1.4832776105284948
Energy: 1.5152374869483496
Energy: 1.5054062974185352
Energy: 1.5088627714676022
Energy: 1.476844542903341
Energy: 1.4839577571560325
Energy: 1.5151909988326948
Energy: 1.6469349257628665
Energy: 1.513090756316751
Energy: 1.4819725359731526
Energy: 1.4756035257628857
Energy: 1.5119562254233376
Energy: 1.5114696580468703
Energy: 1.5094430142574478
Energy: 1.4830361308746232
Energy: 1.4769658695113181
Energy: 1.5172022992586232
Energy: 1.5121946933819972
Energy: 1.5081695429313333
Energy: 1.7005457953372103
Energy: 1.6370420766682583
Energy: 1.5092923052347387
Energy: 1.529861147455825
Energy: 1.5118963535266685
Energy: 1.5080605321883898
Energy: 1.6607604402636187
Energy: 1.5111508068684807
Energy: 1.531656118427994
Energy: 1.7340980372290071
Energy: 1.4815787215496956
Energy: 1.5100217581785293
Energy: 1.5098945333881157
Energy: 1.513406706828948
Energy: 1.7354736701359503
Energy: 1.479564994251171
Energy: 1.5089265482423289
Energy: 1.5106985635028944
Energy: 1.5140928814926389
Energy: 1.6335914120396982
Energy: 1.7228262009362043
Energy: 1.7236134256894498
Energy: 1.4744482613993928
Energy: 1.4805805192779988
Energy: 1.636890518768265
Energy: 1.7203663480861886
Energy: 1.5116732880470538
Energy: 1.4736864434565773
Energy: 1.481790034141612
Energy: 1.5093189366896633
Energy: 1.5300155926232921
Energy: 1.511824222855976
Energy: 1.4807498561952037
Energy: 1.5106063321969234
Energy: 1.5091523079128895
Energy: 1.5120596001355218
Energy: 1.5119725344247523
Energy: 1.4795271548001785
Energy: 1.5112193792168434
Energy: 1.5111409438108716
Energy: 1.5107411234574277
Energy: 1.720996734753723
Energy: 1.6375725974753974
Energy: 1.6759634463869664
Energy: 1.507106642271432
Energy: 1.5132230380848721
Energy: 1.827568623519847
Energy: 1.6379434736445289
Energy: 1.5074206306655562
Energy: 1.4798914304112631
Energy: 1.5104466026487016
Energy: 1.6438877298249517
Energy: 1.7174437981289237
Energy: 1.657079341338562
Energy: 1.4797541221641195
Energy: 1.510518970495543
Energy: 1.4785256812176748
Energy: 1.7168949585106417
Energy: 1.653484576227971

minimum gb energy = 1.4721359442558488 eV
minimum distance =  2.41403458679438 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.537201478781865
Energy: 1.6274406541268105
Energy: 1.750341362751582
Energy: 1.6727246581775586
Energy: 1.532279972384093
Energy: 1.5983760755769523
Energy: 1.7442809273087645
Energy: 1.6496355464997148
Energy: 1.689396875835868
Energy: 1.7145182435228692
Energy: 1.5452889143643396
Energy: 1.7276301722887872
Energy: 1.6442865366013348
Energy: 1.6467444949713967
Energy: 1.7183954949082183
Energy: 1.557044381334559
Energy: 1.7262871495839507
Energy: 1.6460994004109475
Energy: 1.7710077931992014
Energy: 1.689682185226867
Energy: 1.7964590516840533
Energy: 1.7451792964589041
Energy: 1.6927664835358858
Energy: 1.7097881705039921
Energy: 1.796219625561897
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Energy: 1.6786377859673585
Energy: 1.5799364714093487
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Energy: 1.8175899412907215
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Energy: 1.742574363621445
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Energy: 1.6213889972347206
Energy: 1.5569622138152468
Energy: 1.70021559069564
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Energy: 1.6129479042395363
Energy: 1.694442981781221
Energy: 1.7921333347454333
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Energy: 1.7583553718787799
Energy: 1.868504351478964
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Energy: 1.784439584114337
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Energy: 1.7173059458814557
Energy: 1.8312530270443526
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Energy: 1.6203768859485546
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Energy: 1.8333139843378459
Energy: 1.630544425845773
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Energy: 1.625831552548907
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Energy: 1.6362123569636016
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Energy: 1.6000787677547945
Energy: 1.5972041905991134
Energy: 1.5972557119090953
Energy: 1.7246079501793936
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Energy: 1.7263722782924038
Energy: 1.610519129772375
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Energy: 1.5977396876870285
Energy: 1.6507569542291227
Energy: 1.7550060070345168
Energy: 1.6020863992585122
Energy: 1.6684156299675468
Energy: 1.6703006807180598
Energy: 1.6963154587527969
Energy: 1.7301646374598174
Energy: 1.600014578827875
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Energy: 1.6418453571130178
Energy: 1.6059916814545656
Energy: 1.6102423513711075
Energy: 1.6192073490035868
Energy: 1.8706012838693151
Energy: 1.6991072641747473
Energy: 1.6057150161732427
Energy: 1.6117267995942992
Energy: 1.609865597392817
Energy: 1.8700854652996297
Energy: 1.7018243105855801
Energy: 1.6071042933528885
Energy: 1.6070347214548657
Energy: 1.613516758031586
Energy: 1.6530194169842511
Energy: 1.6062259090164657
Energy: 1.6072292061690858
Energy: 1.6086793892233306
Energy: 1.559695514184249
Energy: 1.6590952680136346
Energy: 1.6057104789327634
Energy: 1.607508259666619
Energy: 1.7190699506521732
Energy: 1.7915126603535747
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Energy: 1.6150327559917432
Energy: 1.7675367411901666
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Energy: 1.7026666803169568
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Energy: 1.701974926857751
Energy: 1.7509888963095022
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Energy: 1.6074358442183667
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Energy: 1.7779144348736025
Energy: 1.8208906247190093
Energy: 1.742570852532695
Energy: 1.719233208556442
Energy: 1.6432660450184697
Energy: 1.7083872144207957
Energy: 1.7022478193682227
Energy: 1.6000095461547967
Energy: 1.6505150855893116
Energy: 1.6429270203657493
Energy: 1.7103769974416603
Energy: 1.7027690790678405
Energy: 1.8112337689974027
Energy: 1.743521647042311
Energy: 1.703504686731249
Energy: 1.5965746817869124
Energy: 1.7955862849203141
Energy: 1.813982902456554
Energy: 1.7789232013826797
Energy: 1.7034135048503438
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Energy: 1.7900299457850821
Energy: 1.8315397674356493
Energy: 1.7691090086597923
Energy: 1.8066963847549364
Energy: 1.7904381487439627
Energy: 1.791090078092788
Energy: 1.8338256166181344
Energy: 1.7929526303120618
Energy: 1.8048305854746889
Energy: 1.7917265142905083
Energy: 1.8636251536436208
Energy: 1.6440733172083994
Energy: 1.8614722385783442
Energy: 1.6898183352933962
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Energy: 1.689049400627537
Energy: 1.5566798458954356
Energy: 1.8754119678405683
Energy: 1.5976266322452468
Energy: 1.6325703269853997
Energy: 1.8887338562924343
Energy: 1.8781500134352809
Energy: 1.875963473563659
Energy: 1.5988214190611807
Energy: 1.6265853922177902
Energy: 1.88941250658069
Energy: 1.9842658017726373
Energy: 1.6060698339689148
Energy: 1.595234605846666
Energy: 1.6274933038750858
Energy: 1.6351651366851454
Energy: 1.774191708569
Energy: 1.604984739893669
Energy: 1.5974833942847297
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Energy: 1.7746369742873231
Energy: 1.6046169817766913
Energy: 1.5955824353856556
Energy: 1.6017848326365542
Energy: 1.566461371946141
Energy: 1.690011875518795
Energy: 1.612411127471501
Energy: 1.597505636391676
Energy: 1.6014695196662196
Energy: 1.8328055152729907
Energy: 1.6129112994875108
Energy: 1.6529930861765754
Energy: 1.6820132009477877
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Energy: 1.7033197837083347
Energy: 1.6787556172941984
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Energy: 1.7245192811416081
Energy: 1.6061226678434115
Energy: 1.6717824279758948
Energy: 1.8614359665815217
Energy: 1.6060339546485007
Energy: 1.6037934506887557
Energy: 1.6149798749798672
Energy: 1.6722122840082203
Energy: 1.8208787452054094
Energy: 1.6022856666901104
Energy: 1.5997306834794243
Energy: 1.6068653320009827
Energy: 1.7855467790306592
Energy: 1.6533386861240684
Energy: 1.6052293875881
Energy: 1.6045355731770055
Energy: 1.6028788822415951
Energy: 1.7959567852450515
Energy: 1.7187310677677483
Energy: 1.6031854018757203
Energy: 1.5965652101058052
Energy: 1.5996242306198931
Energy: 1.7960581915609986
Energy: 1.7155199686470333
Energy: 1.620233930248925
Energy: 1.5587829896507632
Energy: 1.7852810462955369
Energy: 1.7931108847810384
Energy: 1.7219527553812262
Energy: 1.6215070609759394
Energy: 1.5750877257801694
Energy: 1.8232263734583676
Energy: 1.7525015718924464
Energy: 1.642630122698463
Energy: 1.817778546049298
Energy: 1.6015321220919214
Energy: 1.7022628099686248
Energy: 1.6236759862559509
Energy: 1.672836022128293
Energy: 1.8346370328049293
Energy: 1.636234495458229
Energy: 1.747787002817755
Energy: 1.640152405728186
Energy: 1.6973944071528915
Energy: 1.7356167588729263
Energy: 1.661366647054948
Energy: 1.63064682677288
Energy: 1.6411837205854172
Energy: 1.7624879909969489
Energy: 1.6378205088647029
Energy: 1.677073641212951
Energy: 1.689712013004439
Energy: 1.6930388120079147
Energy: 1.71550775167856
Energy: 1.7900421700655251
Energy: 1.7406108824975786
Energy: 1.7654323738031281
Energy: 1.6833991642225825
Energy: 1.6914813211977942
Energy: 1.7893132991407232
Energy: 1.743365184224774
Energy: 1.7151943978709294
Energy: 1.8101152840046688
Energy: 1.7935255032523807
Energy: 1.7884497840111695
Energy: 1.8104127903830411
Energy: 1.6557238603540163
Energy: 1.8085095743256854
Energy: 1.786502961571298
Energy: 1.7832691381283492
Energy: 1.812662925447183
Energy: 1.6581330345965772
Energy: 1.7479559927895723
Energy: 1.7052505581115587
Energy: 1.559501362130789
Energy: 1.6248406896506609
Energy: 1.7219887350621716
Energy: 1.65882410798274
Energy: 1.7387792339823107
Energy: 1.5802345123783519
Energy: 1.6921369099407209
Energy: 2.2511048415433828
Energy: 1.804856008164368
Energy: 1.8987160233367046
Energy: 1.874954322763389
Energy: 1.868697538511458
Energy: 1.6190862598855638
Energy: 1.8865868860084518
Energy: 1.8759668891339978
Energy: 1.8761204937260179
Energy: 1.6051170478760297
Energy: 1.5931766136530912
Energy: 1.5947588036312874
Energy: 1.8000296020819428
Energy: 1.6094087943780366
Energy: 1.6028542356504327
Energy: 1.5966710070082435
Energy: 1.6243276653969085
Energy: 1.7991770262801747
Energy: 1.6039357794141158
Energy: 1.59485050553971
Energy: 1.6038050771409995
Energy: 1.600788993762878
Energy: 1.7243907032500412
Energy: 1.6025171910637208
Energy: 1.6011976469166895
Energy: 1.5930938864570556
Energy: 1.682343826667829
Energy: 1.7257304673015657
Energy: 1.6105222266012835
Energy: 1.5951558630391374
Energy: 1.5940779720960179
Energy: 1.614110690126291
Energy: 1.7510003101722424
Energy: 1.7243059464053851
Energy: 1.6398444749587346
Energy: 1.605333619062214
Energy: 1.7020287449020521
Energy: 1.5660281787063879
Energy: 1.7144261674072243
Energy: 1.6685454001903524
Energy: 1.6258753246507163
Energy: 1.5950325253663253
Energy: 1.5989304199763086
Energy: 1.5999621632142134
Energy: 1.872353119349823
Energy: 1.544996089453954
Energy: 1.60200671187031
Energy: 1.615274910156708
Energy: 1.73013449519834
Energy: 1.8708248162964423
Energy: 1.5466152147811585
Energy: 1.5965876512439239
Energy: 1.5961559410058561
Energy: 1.6052366985205837
Energy: 1.5957886665980092
Energy: 1.6192334929131085
Energy: 1.6061528384072417
Energy: 1.6139054706880989
Energy: 1.6122996563445537
Energy: 1.600737620179926
Energy: 1.5955474290626814
Energy: 1.600073412046893
Energy: 1.5716537584236625
Energy: 1.7884505360809513
Energy: 1.789346151177189
Energy: 1.6029996272294669
Energy: 1.6074160587801152
Energy: 1.6150873859374297
Energy: 1.7893919359463437
Energy: 1.6906526347751816
Energy: 1.598502658728793
Energy: 1.6349543810646894
Energy: 1.6311236342807345
Energy: 1.6906741567081867
Energy: 1.6017051109805822
Energy: 1.6076884901553528
Energy: 1.5950764421408559
Energy: 1.7430027070159313
Energy: 1.692111846149627
Energy: 1.7398994029685084
Energy: 1.6436862973052024

minimum gb energy = 1.532279972384093 eV
minimum distance =  2.35830461094285 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.057189867352976
Energy: 1.684397736923574
Energy: 1.7953112702705962
Energy: 1.5549663645952925
Energy: 1.6512116511831014
Energy: 2.011216295272769
Energy: 1.6732475445367885
Energy: 1.75230235033159
Energy: 1.5544882687024169
Energy: 1.7164946281169287
Energy: 1.6358671347678877
Energy: 1.7753123530576083
Energy: 1.7230619688123479
Energy: 1.7298503021618115
Energy: 1.6092414586749622
Energy: 1.641035195698251
Energy: 1.778117330688872
Energy: 1.7237949838058426
Energy: 1.64861644242473
Energy: 1.6485771075759201
Energy: 1.6296575559382762
Energy: 1.685819295217391
Energy: 1.64589332527229
Energy: 1.5492933617041182
Energy: 1.628861886557862
Energy: 1.6335016886061933
Energy: 1.6906669662356046
Energy: 1.6526084736363524
Energy: 1.5508136805093475
Energy: 1.6281188426285902
Energy: 1.5479765359496167
Energy: 1.5506310521771631
Energy: 1.6405934054067643
Energy: 1.6083032682112528
Energy: 1.6286371322421997
Energy: 1.5502483785888064
Energy: 1.5468662462909457
Energy: 1.640598815583031
Energy: 1.6297798011601954
Energy: 1.6281685124565288
Energy: 1.6232118233240758
Energy: 1.642116416961282
Energy: 1.5479605851883969
Energy: 1.567567105745087
Energy: 1.6547358335640827
Energy: 1.604592116622817
Energy: 1.6427403509756537
Energy: 1.5478217329331054
Energy: 1.5761868969218407
Energy: 1.5666792738080917
Energy: 1.563102477651881
Energy: 1.5484059498409155
Energy: 1.6265889891172318
Energy: 1.592272870709858
Energy: 1.5179775221028227
Energy: 1.569225774142045
Energy: 1.548159832005099
Energy: 1.6262559151434635
Energy: 1.5946392000297045
Energy: 2.0607370782068064
Energy: 1.6474647133204596
Energy: 1.6225515272460662
Energy: 1.6263031399286956
Energy: 1.6354483214335331
Energy: 1.6625686616669848
Energy: 1.6453618524421225
Energy: 1.6210394057487116
Energy: 1.6206445990464529
Energy: 1.6320493730772865
Energy: 1.6296505963102057
Energy: 1.6918432231742337
Energy: 1.6298057100900323
Energy: 1.550935959879876
Energy: 1.7833629601893775
Energy: 1.651251392890029
Energy: 1.6900264572755654
Energy: 1.6232963291857927
Energy: 1.549190177080508
Energy: 1.6409559384941719
Energy: 1.6518541849967212
Energy: 1.543392438942174
Energy: 1.8747649414722936
Energy: 1.5327152263933057
Energy: 1.6772852888087568
Energy: 1.6773536681614216
Energy: 1.542277876249273
Energy: 1.8726056950149972
Energy: 1.5285206101234936
Energy: 1.6524363219855558
Energy: 1.6782767062071149
Energy: 1.5336805541652283
Energy: 1.6730396008759338
Energy: 1.5302811259709463
Energy: 1.6586522762596403
Energy: 1.7944548226213126
Energy: 1.6179569045595317
Energy: 1.6731993658054998
Energy: 1.5585591358763988
Energy: 1.6577242893206188
Energy: 1.798386824965461
Energy: 1.5217666298551573
Energy: 1.523115169466757
Energy: 1.5352764976803845
Energy: 1.5237781737771414
Energy: 1.522055675011659
Energy: 1.5224032633808822
Energy: 1.5237196558879005
Energy: 1.5372475506804908
Energy: 1.5232889635159441
Energy: 1.5496208639105116
Energy: 1.521998497326553
Energy: 1.5248124973216537
Energy: 1.537271012203571
Energy: 1.6733412115965502
Energy: 1.5319259473365814
Energy: 1.5214947477076979
Energy: 1.5285118993076354
Energy: 1.537080276241519
Energy: 1.6225549083483168
Energy: 1.5328672193608865
Energy: 1.5223925947463937
Energy: 1.5293766292869941
Energy: 1.8688790183020796
Energy: 1.8642838396729153
Energy: 1.5344757298717913
Energy: 1.5241187220720935
Energy: 1.5374242906194966
Energy: 1.868674171520695
Energy: 1.8621870697739897
Energy: 1.5370877139607961
Energy: 1.7217737983707946
Energy: 1.537607283504522
Energy: 1.6531399345981372
Energy: 1.7838881674499183
Energy: 1.5224628952667174
Energy: 1.7322944254628776
Energy: 1.534683846733336
Energy: 1.5819510872267126
Energy: 1.5635369991830423
Energy: 1.5656386757418777

minimum gb energy = 1.5179775221028227 eV
minimum distance =  2.49796717877646 Angstroms
sigma value = 33