Model name: model_name=Sim_LAMMPS_ADP_WangXuQian_2021_AuRh__SM_066295357485_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Rh
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.79999965429306
cohesive_energy=5.750452262625298
mass=102.905
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.94866189897994e-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, 6.11928934883424e-19, 5.1736686776811e-19, 3.9581613525306595e-19, 2.38955031901296e-19, 3.58498237093938e-20, -2.30923320435054e-19, -5.93095348550754e-19, -1.095074911925928e-18, -1.7976421833479998e-18, -2.7843907286959194e-18, -4.17093040952586e-18, -6.117030279780299e-18, -8.842589082475739e-18, -1.2652260704567279e-17, -1.79573559315354e-17, -2.56168817656992e-17, -3.71028860548452e-17, -5.5182167628228e-17, -8.63616464495118e-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: 0.024583497904191516
Energy: 0.9810452674757972
Energy: 0.9774040268655579
Energy: 1.3053261600731756
Energy: 1.3068157070351571
Energy: 0.5818717725057855
Energy: 0.02571788674216027
Energy: 0.27255974198803856
Energy: 1.306101636932584
Energy: 0.39987298585273257
Energy: 1.251535106282986
Energy: 1.1313010563045098
Energy: 0.025746111076271047
Energy: 0.2728262078108829
Energy: 0.025870044472230642
Energy: 1.3052332934579838
Energy: 1.2484880933334301
Energy: 1.2526408393020954
Energy: 1.133656169956852
Energy: 0.27235137330794434
Energy: 0.27224289857829637
Energy: 0.024672314993831566
Energy: 0.9832715922070219
Energy: 1.2487724078076026
Energy: 1.3054071745641262
Energy: 1.306104655717944
Energy: 0.2742834735910517
Energy: 0.02537301777249267
Energy: 0.5821060230197528
Energy: 1.3048069791897459
Energy: 0.39973943717544824
Energy: 0.9768073701173902
Energy: 0.9352078716669859
Energy: 0.02555229229101935
Energy: 0.27264229733494755
Energy: 0.025074340139966744
Energy: 1.3061299709327712
Energy: 1.248481654187561
Energy: 1.252213154211253
Energy: 1.1335999466226625
Energy: 0.2721845905988433
Energy: 0.27200246611432854

minimum gb energy = 0.024583497904191516 eV
minimum distance =  2.66335609763592 Angstroms
sigma value = 5


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

Energy: 1.8429564307254553
Energy: 2.1955144961819153
Energy: 1.8826069988054748
Energy: 2.0350301121034273
Energy: 1.8739204908027314
Energy: 1.9705028444471302
Energy: 1.7914701252922813
Energy: 1.6654209098289785
Energy: 1.7405193023894268
Energy: 1.7375785344511563
Energy: 1.8404693850680987
Energy: 1.7089258438322548
Energy: 1.7229395869067907
Energy: 1.705643664374679
Energy: 1.8514382280410553
Energy: 1.9741761433119562
Energy: 1.9644814834612938
Energy: 1.905993078154761
Energy: 1.933435060621624
Energy: 1.9336939015308392
Energy: 1.9133722742509858
Energy: 1.6082065907338445
Energy: 1.9354572240071293
Energy: 1.7770189828835175
Energy: 1.8185138005500665
Energy: 1.8765075174418773
Energy: 1.825053129074906
Energy: 1.8981449988268428
Energy: 1.853522038607069
Energy: 1.940753954098921
Energy: 1.8131068307195806
Energy: 1.8762328079978121
Energy: 1.8592129156491097
Energy: 1.9666505637576066
Energy: 2.0526907904688136
Energy: 1.770152394450008
Energy: 1.6459948609123833
Energy: 1.6606499244978252
Energy: 1.8637661814543498
Energy: 1.886165589574354
Energy: 1.6844021691268531
Energy: 2.051904319013768
Energy: 1.7429306181482445
Energy: 1.8711498533009763
Energy: 1.6851604946430727
Energy: 1.7816000976675042
Energy: 1.856445870217194
Energy: 1.6771928418920297
Energy: 1.8804110428477054
Energy: 1.6955179169965233
Energy: 2.046619581416104
Energy: 1.602230266678464
Energy: 1.8579262667291936
Energy: 1.9079753778888502
Energy: 1.7370281088960355
Energy: 1.7959753653155466
Energy: 1.7368344456697664
Energy: 1.8123008304268724
Energy: 1.835841926065645
Energy: 1.887733430911084
Energy: 1.8300579273031796
Energy: 1.9062230114767498
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Energy: 1.812207691018796
Energy: 1.862962802754644
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Energy: 1.804005169876201
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Energy: 1.8717590532863004
Energy: 1.6854593472175832
Energy: 1.8711857472078348
Energy: 1.8742287501851598
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Energy: 1.892466346831257
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Energy: 2.0342173266996855
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Energy: 1.9058293336918197
Energy: 1.7740246590781554
Energy: 1.8347437003279254
Energy: 1.8582899841567555
Energy: 1.7895612553887217
Energy: 1.9328609964156798
Energy: 1.8520995491958856
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Energy: 1.8391110168439537
Energy: 1.8712629210400111
Energy: 1.9624523339610018
Energy: 1.6325119197111826
Energy: 1.7951104367089097
Energy: 1.8159474479860391
Energy: 1.7491096995531723
Energy: 1.7430393303152667
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Energy: 1.8488645472650542
Energy: 1.9012661114379752
Energy: 1.8608221826078197
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Energy: 1.879413627034887
Energy: 1.7309069552956817
Energy: 2.011563621162615
Energy: 1.7788536766120453
Energy: 1.8274888174095933
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Energy: 1.7865611271024373
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Energy: 1.7767774911836602
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Energy: 1.9020697322609588
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Energy: 2.068543687153975
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Energy: 1.8889488319364292
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Energy: 1.8641942679766128
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Energy: 1.9649328368476275
Energy: 1.7543910105998273
Energy: 1.6896153636723017
Energy: 1.821125140987803
Energy: 1.6642534097767119
Energy: 1.8800411801479096
Energy: 1.8754220406696893
Energy: 1.68789094587685
Energy: 1.752522150153563
Energy: 1.8415624104785584
Energy: 1.8531872946741348
Energy: 1.8705023808051555
Energy: 1.9607796927586887
Energy: 1.8969063358597513
Energy: 1.8116939598737862
Energy: 1.8463568200148108
Energy: 1.6486487561404333
Energy: 1.7782105802247972
Energy: 1.8189901078174904
Energy: 1.9900169676404476
Energy: 1.6734483747710025
Energy: 1.710715083222187
Energy: 1.7065260963388351
Energy: 1.7672807169790947
Energy: 1.9804149084784934
Energy: 1.6071044800888779
Energy: 1.8393252344319062
Energy: 1.837187440049942
Energy: 1.8952678953312578
Energy: 1.9059721763543132
Energy: 1.6114900919961606
Energy: 1.9154002270790593
Energy: 1.7105540002667592
Energy: 1.9081491688120853
Energy: 1.857976105385771
Energy: 1.8343221188033447
Energy: 1.894896950220374
Energy: 1.804004346033684
Energy: 1.9443341626288246
Energy: 1.814662832198114
Energy: 1.8205678973392596
Energy: 1.864751314643012
Energy: 1.9357273521788503
Energy: 2.054166830018269
Energy: 1.7096832165397606
Energy: 1.9257000215084943
Energy: 1.7589281689220904
Energy: 1.7426377244767166
Energy: 1.8217065992839312
Energy: 1.6464099679502409
Energy: 2.0765308155037703
Energy: 1.7392966930950502
Energy: 1.8711836977230583
Energy: 1.67145289106538
Energy: 1.9105342487414012
Energy: 1.9024470544923797
Energy: 1.8186248027449659
Energy: 1.8975022806592916
Energy: 1.7780495335992408
Energy: 1.944232378926009
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Energy: 1.8288431993521856
Energy: 1.7414174055799452
Energy: 1.9389958244293042
Energy: 1.6857053832191053
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Energy: 1.8400888154442694
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Energy: 1.8575845029591245
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Energy: 1.826846817659654
Energy: 1.9988600646013936
Energy: 1.904365553929253
Energy: 1.8274250673574273
Energy: 1.927042755205574
Energy: 1.6828747344622528
Energy: 1.8486587172877451
Energy: 1.6983921321208237
Energy: 1.9343743421158304
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Energy: 1.6433946409480806
Energy: 1.8684296585179598
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Energy: 1.880137428949582
Energy: 1.934944796261093
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Energy: 1.747492557901753
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Energy: 1.7603411089347905
Energy: 1.7594325496164693
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Energy: 1.7529824450826066
Energy: 1.76010547552048
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Energy: 1.7991851857005565
Energy: 1.8629227713568697
Energy: 1.8726348921391485
Energy: 1.9200437795067753
Energy: 1.8852544251389243
Energy: 1.8584960888603395
Energy: 1.8380383938964877
Energy: 1.7242260941188385
Energy: 1.8498774459358558
Energy: 1.6700348722871932
Energy: 1.8875881254121116
Energy: 1.9011248821461804
Energy: 1.6902588752555627
Energy: 1.8917743484315952
Energy: 1.860754383485379
Energy: 1.884895387428877
Energy: 1.7963007217469436
Energy: 1.9531224005849213
Energy: 1.8540792161849386
Energy: 1.7682727996524006
Energy: 1.9337658712506998
Energy: 1.7286074692847462
Energy: 2.0087338854325356
Energy: 1.768251273837267
Energy: 1.7481360170278382
Energy: 1.7497526787505564
Energy: 1.7878887793885598
Energy: 2.002415616250351
Energy: 1.9537263443519597
Energy: 1.821838707592464
Energy: 1.8174122197065048
Energy: 1.8507729442292105
Energy: 1.9558751185705223
Energy: 1.896118762248656
Energy: 2.008329053278888
Energy: 1.7033259826324374
Energy: 1.7278858144119669
Energy: 1.656942372552032
Energy: 1.7414149231340956
Energy: 1.7230928283118487
Energy: 1.6608850185700792
Energy: 1.810201008813154
Energy: 1.882657269025749
Energy: 1.8442013751137452
Energy: 1.865890756990166
Energy: 1.9296017615292382
Energy: 1.804859289870738
Energy: 1.8529197013542036
Energy: 1.992241335487892
Energy: 1.6004488374104164
Energy: 1.7860511177502332
Energy: 1.720343305087336
Energy: 1.8022580272109525
Energy: 1.738921912053439
Energy: 1.7480670901121942
Energy: 1.828465842168842
Energy: 1.5997299010207986
Energy: 1.9088470610901254
Energy: 1.7922450817220466
Energy: 1.9646601372769181
Energy: 1.9106436243190148
Energy: 1.803784426589627
Energy: 1.7568448013682538
Energy: 1.714804887467521
Energy: 1.8405101752020494
Energy: 1.66142918620221
Energy: 1.877281629509477
Energy: 1.8262427224532423
Energy: 1.6909153427956278
Energy: 1.822155040232339
Energy: 1.7898226751250035
Energy: 1.8632086907769148
Energy: 1.8706183732592379
Energy: 1.941446159175792
Energy: 1.9025850939816487
Energy: 1.8389935171400484
Energy: 1.9037778676304156

minimum gb energy = 1.5973209702614186 eV
minimum distance =  2.43905632612316 Angstroms
sigma value = 401


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

Energy: 1.796807679191259
Energy: 1.9463310797003004
Energy: 1.6771610594284108
Energy: 1.6577337019094545
Energy: 1.7444149282422168
Energy: 1.8229981709390597
Energy: 1.80516713952939
Energy: 1.6240836385489124
Energy: 1.6306595974926894
Energy: 1.7425758241933826
Energy: 1.8890582631149975
Energy: 1.6431658861006067
Energy: 1.7435466869613478
Energy: 1.8236445708833349
Energy: 1.6353774390628997
Energy: 1.764305410563914
Energy: 1.8678836120317066
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Energy: 1.7483830515413725
Energy: 1.8267839072577605
Energy: 1.859582364747169
Energy: 1.800781960571274
Energy: 1.7923628348488831
Energy: 1.821239491819325
Energy: 1.6862684925266482
Energy: 1.6173269151556438
Energy: 1.6258348757918966
Energy: 1.694187259606576
Energy: 1.6566338241205787
Energy: 1.9009459134674553
Energy: 1.8866678206648317
Energy: 1.7218019538843137
Energy: 1.7422005623915522
Energy: 1.8961913485009625
Energy: 1.8864056499140984
Energy: 1.6720354891215365
Energy: 1.844512927467729
Energy: 1.7048689002798558
Energy: 1.720109321687216
Energy: 1.7022757522733576
Energy: 1.6330439948434232
Energy: 2.0047209527503673
Energy: 1.756479211991544
Energy: 1.8599648381182432
Energy: 1.9669460987577876
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Energy: 1.6250835072221748
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Energy: 1.7032258545927939
Energy: 1.7380661159736464
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Energy: 1.6274599375647854
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Energy: 1.7479138335650182
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Energy: 1.650778006422492
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Energy: 1.6600546969819832
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Energy: 1.6839744305582665
Energy: 1.952935786818888
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Energy: 1.6529713235391041
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Energy: 1.5985969549083348
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Energy: 1.6160369271557247
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Energy: 1.6081929490025346
Energy: 1.6965089916644158
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Energy: 1.6998376062585323
Energy: 1.698755650925201
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Energy: 1.8166270847332286
Energy: 1.7788838090863826
Energy: 1.728838689926205
Energy: 1.6399205817301823
Energy: 1.8696533959578414
Energy: 1.7196534732982933
Energy: 1.79603200119566
Energy: 1.7489816639451083
Energy: 1.6788218919108875
Energy: 1.6288150302633881
Energy: 1.8638644603389383
Energy: 1.930131838970054
Energy: 1.9032115806726628
Energy: 1.6835464284618449
Energy: 1.6832003571817724
Energy: 1.6608127494832658
Energy: 1.723368616591281
Energy: 1.692074592256794
Energy: 1.911927709176476
Energy: 1.6802978929094334
Energy: 1.7611724843144192
Energy: 1.7382094830298378
Energy: 1.6504797243851583
Energy: 1.714137704672474
Energy: 1.815124476356222
Energy: 1.8283622674062665
Energy: 1.8362797585649258
Energy: 1.7877549020518977
Energy: 1.7411302422190245
Energy: 1.68284747513928
Energy: 1.6189194999770304
Energy: 1.6479178883779615
Energy: 1.6709244893244188
Energy: 1.8017912009372221
Energy: 1.8469692523077959
Energy: 1.8142423016779712
Energy: 1.9345280820229518
Energy: 1.7915956744158543
Energy: 1.8666508427103092
Energy: 1.711115556716899
Energy: 1.719290280177685
Energy: 1.610198496785422
Energy: 1.9159310686541853
Energy: 1.7581772597179774
Energy: 1.8237013184847868
Energy: 1.7499323704616707
Energy: 1.6528908232416721
Energy: 1.753759625517387
Energy: 1.6792488084610153
Energy: 1.9475896393123489
Energy: 1.6960658310702394
Energy: 1.741991884293991
Energy: 1.6817050660359512
Energy: 1.6667154270812101
Energy: 1.7007417992549823
Energy: 1.883151361430645
Energy: 1.852012656676038
Energy: 1.8465437440648675
Energy: 1.7696404064172035
Energy: 1.622536456973376
Energy: 1.6322699671125558
Energy: 1.610929766014677
Energy: 1.624933692197778
Energy: 1.6106471123955066
Energy: 1.594157161504615
Energy: 1.9903332350503207
Energy: 1.8536190341849232
Energy: 1.6214087994489426
Energy: 1.6842252642652291
Energy: 1.8120635149941746
Energy: 1.8120037716370092
Energy: 1.7646017517488097
Energy: 1.7941135296022295
Energy: 1.773188596130111
Energy: 1.6918601595573561
Energy: 1.7232174741620654
Energy: 1.7814321200095524
Energy: 1.7768375175873663
Energy: 1.6810284593501903
Energy: 1.6384163327417065
Energy: 1.8782165198501253
Energy: 1.6522278017189826
Energy: 1.9547739551450922
Energy: 1.8064741381517464
Energy: 1.6887363927829733
Energy: 1.6482128458612526
Energy: 1.7160404587886862
Energy: 1.7673728338855097
Energy: 1.6096866951410829
Energy: 1.650005642867602
Energy: 1.7673288133661054
Energy: 1.744034219820587
Energy: 1.6595885847239438
Energy: 1.6168320029155419
Energy: 1.8333659092389056
Energy: 2.064354027353018
Energy: 1.8375406383714976
Energy: 1.780757796918769
Energy: 1.742201367197245
Energy: 1.6767127041698398
Energy: 1.6981553379077348
Energy: 1.6590788771689031
Energy: 1.6439777665186641
Energy: 1.7797187043082778
Energy: 1.8142667191818906
Energy: 1.7697761656607303
Energy: 1.911635209902923
Energy: 1.760299756963299
Energy: 1.8617279314253639
Energy: 1.663600169697983
Energy: 1.6754803829420768
Energy: 1.5991100823439601
Energy: 1.952479798825612
Energy: 1.7889048837903774
Energy: 1.7853204296255363
Energy: 1.7159845963425135
Energy: 1.6449521001514458
Energy: 1.6728133859471785
Energy: 1.6461508708548538
Energy: 1.8690176238295606
Energy: 1.8361118438855313
Energy: 1.8002748279135614
Energy: 1.6301285997234454
Energy: 1.6643443484136586
Energy: 1.6275959319479627
Energy: 1.8854082601245716
Energy: 1.8530568028383856
Energy: 1.7874298994144424
Energy: 1.7847954204830347
Energy: 1.6164389871042186
Energy: 1.7049334502148414
Energy: 1.6091004622949285
Energy: 1.6173675052407122
Energy: 1.7170224858665075
Energy: 1.868224801335062
Energy: 1.9298734843188745
Energy: 1.8543421636051833
Energy: 1.6537971229235253
Energy: 1.6779929586472757
Energy: 1.6131826542271794
Energy: 1.8761822071936187
Energy: 1.712744111661844
Energy: 1.808617598607065
Energy: 1.6773621574818112
Energy: 1.7472141032554251
Energy: 1.669528668063919
Energy: 1.7937081717836345
Energy: 1.7901140856320679
Energy: 1.635943642962863
Energy: 1.6921640118794683
Energy: 1.8746381841413164
Energy: 2.1295955907407103
Energy: 1.850800709932394
Energy: 1.7656015152234008
Energy: 1.7658159045865363
Energy: 1.6320218133092343
Energy: 1.6291195514859174
Energy: 1.7691889638256713
Energy: 2.13713683759473
Energy: 1.7920388883286094
Energy: 1.7995648025814301
Energy: 1.731501975708517

minimum gb energy = 1.594157161504615 eV
minimum distance =  2.44237333507421 Angstroms
sigma value = 311


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

Energy: 1.868927634874888
Energy: 1.749678105340125
Energy: 1.7669790108856014
Energy: 1.8761249937681665
Energy: 1.7844445139953866
Energy: 1.710873054553109
Energy: 1.6901557776135157
Energy: 1.7174417672703357
Energy: 1.8332306942956664
Energy: 1.645015537744192
Energy: 1.7218694145355469
Energy: 1.7197656783275255
Energy: 1.8041900171814613
Energy: 1.9464688266600545
Energy: 1.7598479505669555
Energy: 1.7343091255886869
Energy: 1.868778132023664
Energy: 1.9035287377519883
Energy: 1.684387849798983
Energy: 1.7485438861462543
Energy: 1.8240052722269506
Energy: 1.6329884575324678
Energy: 1.759754900753125
Energy: 1.7411322256130153
Energy: 1.8938954796336167
Energy: 1.747072006604902
Energy: 1.6841300701459725
Energy: 1.8010141639746398
Energy: 1.800279870658392
Energy: 1.7552686039574883
Energy: 1.7908469765239103
Energy: 1.8180441065127386
Energy: 1.719409414657387
Energy: 1.7992563037821436
Energy: 1.852523436651803
Energy: 1.6688394309402321
Energy: 1.7255938288843586
Energy: 1.7242956670730614
Energy: 1.702446367190822
Energy: 1.6967655966408026
Energy: 1.6248663169082078
Energy: 1.7328816115572194
Energy: 1.7362930379630506
Energy: 1.8550654943950033
Energy: 1.8034487613367722
Energy: 1.7502822270450553
Energy: 1.8505514039478845
Energy: 1.69225567795434
Energy: 1.7668205089574922
Energy: 1.7460363907954075
Energy: 1.8731719429237088
Energy: 1.7555394520523027
Energy: 1.746500555357331
Energy: 1.6815972701080697
Energy: 1.7338842592762909
Energy: 1.8765432106117141
Energy: 1.7394284713797996
Energy: 1.7211605711869769
Energy: 1.7924109717481547
Energy: 1.755296079612989
Energy: 1.768224091932329
Energy: 1.6862527400879643
Energy: 1.7160797900419233
Energy: 1.6530604253414436
Energy: 1.8214679439435
Energy: 1.62498750216311
Energy: 1.7848808770518194
Energy: 1.8080207526273215
Energy: 1.734660802796957
Energy: 1.9432297335933395
Energy: 1.8294154728935728
Energy: 1.829167949138684
Energy: 1.746914513831269
Energy: 1.8462448524253496
Energy: 1.7227506253845115
Energy: 1.842090524170899
Energy: 1.8238882948685524
Energy: 1.688884907752407
Energy: 1.7653479068155862
Energy: 1.718275513959473
Energy: 1.6987247047126068
Energy: 1.7424250725899466
Energy: 1.6289709943763397
Energy: 1.7719770457842272
Energy: 1.7960044623293394
Energy: 1.8113105502675835
Energy: 1.7409965544184978
Energy: 1.8355182270797703
Energy: 1.7443664125870506
Energy: 1.7012926720285464
Energy: 1.7326247096487595
Energy: 1.738025505950557
Energy: 1.9128061636708509
Energy: 1.7379513940322853
Energy: 1.788089884257756
Energy: 1.7151246553435164
Energy: 1.8069212279513887
Energy: 1.887661191289864
Energy: 1.6816622993322057
Energy: 1.7943938280104952
Energy: 1.7499542545269187
Energy: 1.7768642643676709
Energy: 1.7950058311922275
Energy: 1.7005910084630858
Energy: 1.6529282973082444
Energy: 1.673611815136075
Energy: 1.8505656737118135
Energy: 1.7391837060975996
Energy: 1.6689549385249924
Energy: 1.8512570909467907
Energy: 1.7115155211354054
Energy: 1.7714012619145818
Energy: 1.8275036903352924
Energy: 1.7901466252770504
Energy: 1.729534965475945
Energy: 1.8705802838225536
Energy: 1.8115784019844359
Energy: 1.7660732769794503
Energy: 1.7524803643466202
Energy: 1.6729606731242619
Energy: 1.7444784629216645
Energy: 1.618873268651323
Energy: 1.7646212257834055
Energy: 1.716871131706847
Energy: 1.8048700266829047
Energy: 1.7905307520721485
Energy: 1.793218719165569
Energy: 1.719042159162216
Energy: 1.7382694706159403
Energy: 1.7585177285489013
Energy: 1.7199079416739849
Energy: 1.6392226489743378
Energy: 1.7951606377443845
Energy: 1.7862492046709768
Energy: 1.8263566372243367
Energy: 1.7105332884505153
Energy: 1.8147231928844256
Energy: 1.76851784022191
Energy: 1.7568487073189054
Energy: 1.8883682769953627
Energy: 1.7668953563162892
Energy: 1.691631904722668
Energy: 1.723837537269024
Energy: 1.7682616507968807
Energy: 1.7108616949341429
Energy: 1.6430033335795156
Energy: 1.6774710201513143
Energy: 1.6598584839931658
Energy: 1.8033165779460953
Energy: 1.7036533265844702
Energy: 1.7834840834613024
Energy: 1.859773630835419
Energy: 1.7039185087375457
Energy: 1.7354219861654088
Energy: 1.8777502610566659
Energy: 1.8019407652297588
Energy: 1.7925330823246974
Energy: 1.856749108250249
Energy: 1.7638823211016303
Energy: 1.7692597772513534
Energy: 1.7885619282824312
Energy: 1.701941835916994
Energy: 1.7674244233245648
Energy: 1.7278795141117476
Energy: 1.817775891538836
Energy: 1.866105547868067
Energy: 1.7349001960169088
Energy: 1.814303563396697
Energy: 1.7170729651757963
Energy: 1.7730141325917017
Energy: 1.7981824774012571
Energy: 1.7639083086034557
Energy: 1.7414256463819215
Energy: 1.8083390965128574
Energy: 1.7791448440053037
Energy: 1.7627841156714166
Energy: 1.971270901490432
Energy: 1.7658578571670311
Energy: 1.723047364838104
Energy: 1.8659704491561122
Energy: 1.7593459642100007
Energy: 1.8853853036961468
Energy: 1.6871603177291454
Energy: 1.730889231140541
Energy: 1.699149959332954
Energy: 1.7412463299611274
Energy: 1.7478475201538821
Energy: 1.7016281463008358
Energy: 1.6932461282499136
Energy: 1.7094723717722202
Energy: 1.744988664091844
Energy: 1.7445648795885338
Energy: 1.7127888855671713
Energy: 1.7997335966451695
Energy: 1.678404537727324
Energy: 1.7756916398788112
Energy: 1.876183222021379
Energy: 1.7454584603421022
Energy: 1.7225296969025594
Energy: 1.8315769456665052
Energy: 1.716854512731616
Energy: 1.7807994428955267
Energy: 1.7937424516717366
Energy: 1.7122897879928063
Energy: 1.7381538459769181
Energy: 1.6866726381817052
Energy: 1.8405260303449238
Energy: 1.753341863704457
Energy: 1.6593239220882225
Energy: 1.7838066867081852
Energy: 1.7246870372154222
Energy: 1.8138329907553568
Energy: 1.8096420463349823
Energy: 1.7944662893286487
Energy: 1.7888659669695017
Energy: 1.7670352989164468
Energy: 1.805203845387089
Energy: 1.773428707796325
Energy: 1.8638651889378457
Energy: 1.7478034059875107
Energy: 1.849975992288399
Energy: 1.7342722578487555
Energy: 1.7356052598846368
Energy: 1.8362315436481984
Energy: 1.7390096104695174
Energy: 1.7097733058585631
Energy: 1.704498615681517
Energy: 1.797986412843809
Energy: 1.852328821187668
Energy: 1.6567376115577113
Energy: 1.7415675681770695
Energy: 1.6694987833091983
Energy: 1.730412211603505
Energy: 1.814613454423354
Energy: 1.7578526893794595
Energy: 1.8421286171076054
Energy: 1.6827082659795713
Energy: 1.7783026614633666
Energy: 1.734107160693617
Energy: 1.7962332210090506
Energy: 1.7073140261668736
Energy: 1.8669516725225286
Energy: 1.7357959084842491
Energy: 1.8143098649517726
Energy: 1.8932354740329487
Energy: 1.6535138438284795
Energy: 1.8097732753271605
Energy: 1.7899175191996708
Energy: 1.8639766025913571
Energy: 1.7884379670639596
Energy: 1.7250096924073985
Energy: 1.8136692314621088

minimum gb energy = 1.618873268651323 eV
minimum distance =  2.4176995569124 Angstroms
sigma value = 39


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

Energy: 1.6283709877158834
Energy: 1.9451248581834155
Energy: 1.7750167457771737
Energy: 1.9629795967254697
Energy: 1.7085066740504333
Energy: 1.766780771687902
Energy: 1.577832218636955
Energy: 1.6351481682366584
Energy: 1.7652301796773742
Energy: 1.7187109306216946
Energy: 1.6337724223306826
Energy: 1.5962821949755408
Energy: 1.6298981466477316
Energy: 1.7558104848084968
Energy: 1.6250142821056146
Energy: 1.6626579986228254
Energy: 1.7174591414788423
Energy: 1.6001939734766852
Energy: 1.5827119588114031
Energy: 1.6440301819309053
Energy: 1.6419339390613006
Energy: 1.6363155359048924
Energy: 1.5842051615543666
Energy: 1.582203351517602
Energy: 1.6957918447983524
Energy: 1.6334656693401641
Energy: 1.7039357342088273
Energy: 1.8382731754488033
Energy: 1.652286707932341
Energy: 1.585475437748893
Energy: 1.6020967985382404
Energy: 1.8020049411366044
Energy: 1.7369510112226048
Energy: 1.7186219533277827
Energy: 1.6418058945848752
Energy: 1.539779483770925
Energy: 1.5817238916026302
Energy: 1.6765705060304443
Energy: 1.7525900376723904
Energy: 1.7269444969976802
Energy: 1.6948655943772601
Energy: 1.6480674751328659
Energy: 1.7211829436467614
Energy: 1.936431970039059
Energy: 1.6516711355323785
Energy: 1.763303245985432
Energy: 1.5766702225184932
Energy: 1.5722104037494156
Energy: 1.6903337660657554
Energy: 1.5707705957354643
Energy: 1.7236147627676557
Energy: 1.7478678631113875
Energy: 1.7562582449568895
Energy: 1.8046360345513128
Energy: 1.7351066874194911
Energy: 1.6425490258565694
Energy: 1.571237041538606
Energy: 1.7240736297429882
Energy: 1.7464049073209449
Energy: 1.610919018427444
Energy: 1.6108069614364093
Energy: 1.729852448666484
Energy: 1.6327145165934038
Energy: 1.7241028915854753
Energy: 1.7109830484574595
Energy: 1.707136924988334
Energy: 1.6337252299764435
Energy: 1.581621430247004
Energy: 1.6439803369361206
Energy: 1.8564164989802585
Energy: 1.6260163474894835
Energy: 1.619022560527313
Energy: 1.7032683343304733
Energy: 1.613337525046642
Energy: 1.5864888236008141
Energy: 1.6589524812568286
Energy: 1.8414117412317006
Energy: 1.662284592001308
Energy: 1.5863057472281892
Energy: 1.614750242161295
Energy: 1.6947840663761389
Energy: 1.63404448001157
Energy: 1.6779960836583858
Energy: 1.6898473889074699
Energy: 1.5696917422280197
Energy: 1.58160106952766
Energy: 1.6319083857351786
Energy: 1.7016306155400394
Energy: 1.7187209440940459
Energy: 1.7334583637916736
Energy: 1.6379790099670288
Energy: 1.7022653165642518
Energy: 1.6636472215951776
Energy: 1.6975813588174162
Energy: 1.6370665208046058
Energy: 1.5781347992804495
Energy: 1.5725678575137558
Energy: 1.759405606187298
Energy: 1.551550512643703
Energy: 1.7601691030573117
Energy: 1.6541287219738259
Energy: 1.7101439992137388
Energy: 1.5656890170883808
Energy: 1.5602385287439
Energy: 1.7554079671158644
Energy: 1.5667343989963594
Energy: 1.5808274757406617
Energy: 1.746215118925182
Energy: 1.6984083088916135
Energy: 1.7080781605426922
Energy: 1.7962176253196607
Energy: 1.5799266539433734
Energy: 1.640961159602673
Energy: 1.7643910754140522
Energy: 1.718451007887693
Energy: 1.6335848164735682
Energy: 1.5976753212552939
Energy: 1.6323689031505946
Energy: 1.7805860375895284
Energy: 1.6274747052424337
Energy: 1.6618521599743297
Energy: 1.7170684040293183
Energy: 1.5993977822316785
Energy: 1.582545261053768
Energy: 1.6455568430686012
Energy: 1.6416195265675844
Energy: 1.6363166123263602
Energy: 1.5806376383696537
Energy: 1.5818205179655744
Energy: 1.6957083356129177
Energy: 1.6332771893524411
Energy: 1.704995163646459
Energy: 1.8363819257367069
Energy: 1.6529895132051087
Energy: 1.5853241395317728
Energy: 1.6019605041342744
Energy: 1.801605554502753
Energy: 1.7362710903982925
Energy: 1.7173851086683207
Energy: 1.6420862151292013
Energy: 1.5404940146124888
Energy: 1.581461377977871
Energy: 1.6767574678324413
Energy: 1.7588620661700585
Energy: 1.72641272660833
Energy: 1.5613237605173191
Energy: 1.785639021542257
Energy: 1.7177447771220427
Energy: 1.710149721424405
Energy: 1.6515600149404526
Energy: 1.763119148305652
Energy: 1.5755514105802884
Energy: 1.5768319939180886
Energy: 1.691828638312908
Energy: 1.570321221691033
Energy: 1.7249182524592785
Energy: 1.7478025564342194
Energy: 1.756526529977692
Energy: 1.7966447034819166
Energy: 1.734864540667236
Energy: 1.6376090662875493
Energy: 1.571402033238664
Energy: 1.7250531930389321
Energy: 1.7459530967483339
Energy: 1.610837283931924
Energy: 1.610317809612042
Energy: 1.6539692158637023
Energy: 1.6315787809217779
Energy: 1.7253086061426675
Energy: 1.7085762572455816
Energy: 1.7083538069902335
Energy: 1.6338658717035983
Energy: 1.5809996016682257
Energy: 1.6438899863855339
Energy: 1.8545188443025513
Energy: 1.624905377906589
Energy: 1.6190778375424133
Energy: 1.7057753818059311
Energy: 1.6144382757538154
Energy: 1.584520892901422
Energy: 1.7042051906619555
Energy: 1.9690040787135674
Energy: 1.6612375721172234
Energy: 1.5844313868430713
Energy: 1.6141543227925226
Energy: 1.6948752038423105
Energy: 1.6345636119438425
Energy: 1.8423024535076533
Energy: 1.6945265442722401
Energy: 1.5689740022212484
Energy: 1.5815758044061718
Energy: 1.6315162659105344
Energy: 1.7016236746539726
Energy: 1.7212045526534079
Energy: 1.7334081110803925
Energy: 1.638900573332704
Energy: 1.7020513712858625
Energy: 1.6639152662954744
Energy: 1.6982014538634238
Energy: 1.6367331222508272
Energy: 1.5778719069548388
Energy: 1.572482766835657
Energy: 1.7338333115954294
Energy: 1.5500893534275995
Energy: 1.7608205531012313
Energy: 1.65123680155276
Energy: 1.708362543549694
Energy: 1.5657537180948657
Energy: 1.5614469101200723
Energy: 1.7686694863439516

minimum gb energy = 1.539779483770925 eV
minimum distance =  2.49488110018679 Angstroms
sigma value = 21


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

Energy: 2.0376293039835534
Energy: 2.080783980441371
Energy: 1.6080003859111336
Energy: 1.659209636363111
Energy: 1.7277453866636523
Energy: 1.704515739412033
Energy: 1.9613930064617686
Energy: 1.6292132291754855
Energy: 1.7889032589674654
Energy: 1.8482138840610447
Energy: 1.8921353836950363
Energy: 1.8117266907155847
Energy: 1.7591836476867926
Energy: 1.9834924905532028
Energy: 1.6569024457619541
Energy: 1.8015277238723708
Energy: 1.7181414189040203
Energy: 1.897462252908625
Energy: 1.833557708184673
Energy: 1.5626023872433217
Energy: 1.8706117178062018
Energy: 1.5605671593815496
Energy: 1.8229834196789363
Energy: 1.7185177308496975
Energy: 1.720891437249367
Energy: 1.7294012010054558
Energy: 1.6768757808841979
Energy: 1.6555997475384625
Energy: 1.562234968673298
Energy: 1.815491054495344
Energy: 1.600696789901938
Energy: 1.6600388506921566
Energy: 1.7792147803450309
Energy: 1.618561406831222
Energy: 1.6580991994119332
Energy: 1.5085123172809414
Energy: 1.6524018238190097
Energy: 1.604493410268524
Energy: 1.595777488790538
Energy: 1.7689972289583287
Energy: 1.6762245546027916
Energy: 1.6322617779528048
Energy: 1.6220155302710775
Energy: 1.720637828743135
Energy: 1.6332698097111575
Energy: 1.8218800038729632
Energy: 1.6036209535636687
Energy: 1.5075978670002046
Energy: 1.630153882538215
Energy: 1.6104619367681647
Energy: 1.655423521362265
Energy: 1.7170931107573313
Energy: 1.780816747377025
Energy: 1.83403006052754
Energy: 1.5629969073120578
Energy: 1.6585166124498794
Energy: 1.632510078019803
Energy: 1.6001331924080116
Energy: 1.6840164322965934
Energy: 1.9224270164761545
Energy: 1.8687699986450503
Energy: 2.0496939695697676
Energy: 1.6011773663163587
Energy: 1.5606509048075436
Energy: 1.8523620084773162
Energy: 1.6460164710166707
Energy: 1.6610906761687316
Energy: 1.577717359598818
Energy: 1.6935844189520388
Energy: 1.6408612633162512
Energy: 1.7900842591307686
Energy: 1.727676701114777
Energy: 1.6240165926792312
Energy: 1.6546420012330756
Energy: 1.5908576417914537
Energy: 1.5096896613960384
Energy: 2.086308404110252
Energy: 1.659028931217859
Energy: 1.7026551558130343
Energy: 1.7990026215395947
Energy: 1.856200177532279
Energy: 1.5222942470235057
Energy: 1.5080968566083952
Energy: 1.9263864553764287
Energy: 1.7727227472207745
Energy: 1.782016778584755
Energy: 1.6464957187475695
Energy: 1.799362907020564
Energy: 1.7884770855723384
Energy: 1.6917190835544336
Energy: 1.6397797448377727
Energy: 1.774374168780762
Energy: 1.8130212664523127
Energy: 1.7973798240914922
Energy: 1.6869326228882897
Energy: 1.8090544064379959
Energy: 1.8788238560570982
Energy: 1.9206302910706403
Energy: 1.655135394627031
Energy: 1.799722800907972
Energy: 1.6945081507320836
Energy: 1.8982236527500718
Energy: 1.8458901391960707
Energy: 1.6232113803462387
Energy: 1.9289646715391588
Energy: 1.5609215160689291
Energy: 1.872454579944241
Energy: 1.7026919462225618
Energy: 1.6559489172582749
Energy: 1.7214530240516481
Energy: 1.941767082396993
Energy: 1.6608270675707064
Energy: 1.5608375030529988
Energy: 1.8338443384016547
Energy: 1.5922578283912545
Energy: 1.5809036693746734
Energy: 1.5635826652232685
Energy: 1.573738792644942
Energy: 1.654702104869586
Energy: 1.507824799268123
Energy: 1.68997235103422
Energy: 1.7587201774376464
Energy: 1.7795691043943014
Energy: 1.7531736959795539
Energy: 1.6304587191475315
Energy: 1.665035456507631
Energy: 1.5086267153598294
Energy: 1.5885498962316242
Energy: 1.7361970698744258
Energy: 1.5908827568526096
Energy: 1.6046681777922394
Energy: 1.507979509303457
Energy: 1.6302363829483482
Energy: 1.736172785954961
Energy: 1.6557779854917416
Energy: 1.73963280407835
Energy: 1.80205815492388
Energy: 1.719032593734654
Energy: 1.5635944235867356
Energy: 1.659019641035161
Energy: 1.6360957151220503
Energy: 1.6025947276477002
Energy: 1.945470743725986
Energy: 1.8660254350614967
Energy: 1.795482074074519
Energy: 1.6557236895466532
Energy: 1.6607736897115497
Energy: 1.5633088547101137
Energy: 1.8505424613635206
Energy: 1.6458973378596746
Energy: 1.6579428926438076
Energy: 1.6849807444575233
Energy: 1.6382960930716763
Energy: 1.8958255906692307
Energy: 1.8941068628280961
Energy: 1.808467273721775
Energy: 1.9383953284760047
Energy: 1.8729465934905827
Energy: 1.6439979712823407
Energy: 1.9164585385328003
Energy: 1.9497318893045712
Energy: 1.6325662985181622
Energy: 1.7311453809966506
Energy: 1.771061446814491
Energy: 1.8696025257975608
Energy: 1.9614567387417545
Energy: 1.843876457385482
Energy: 1.7994948702113365
Energy: 1.7741982712376192
Energy: 1.7535391093604367
Energy: 1.7976330301135153
Energy: 1.7001269572841866
Energy: 1.6461178603354591
Energy: 1.9153093507633954
Energy: 1.7749622440847228

minimum gb energy = 1.5075978670002046 eV
minimum distance =  2.47480559573737 Angstroms
sigma value = 113


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

Energy: 1.896739785708582
Energy: 2.1614862266970887
Energy: 1.8972136946409284
Energy: 1.9626631661591545
Energy: 1.976700762234578
Energy: 1.9733115330340867
Energy: 2.180322569879745
Energy: 2.0634951627298705
Energy: 2.0333181575736714
Energy: 2.0267917383273306
Energy: 2.099229616037005
Energy: 2.086028810661535
Energy: 2.0197388382411456
Energy: 2.0517038217289407
Energy: 1.9272351509057324
Energy: 1.9963019992818585
Energy: 1.9503998231632913
Energy: 1.979443722746294
Energy: 1.9891625892564138
Energy: 1.899408633421886
Energy: 2.015771608433094
Energy: 1.8905370755744952
Energy: 2.0404679453038685
Energy: 1.8774560337111008
Energy: 2.0316089078193067
Energy: 1.9890919357341683
Energy: 1.9506760945770403
Energy: 2.180657398857184
Energy: 1.8533874508020622
Energy: 2.0195766018172048
Energy: 1.9243701150751673
Energy: 1.947599359175324
Energy: 1.9293756627748797
Energy: 1.9106050213373194
Energy: 1.939284364333402
Energy: 1.8632784543474155
Energy: 1.8593431626667785
Energy: 1.9173928678454202
Energy: 1.863877798282832
Energy: 1.7854258123512208
Energy: 1.8190538047707514
Energy: 1.875598690062464
Energy: 1.902635404047655
Energy: 1.862845182124974
Energy: 1.7633485463949996
Energy: 1.820663961773717
Energy: 1.8472157621981953
Energy: 1.9041003051749559
Energy: 1.8406005814991204
Energy: 1.7917902452807029
Energy: 1.725368179994349
Energy: 1.766334527156848
Energy: 1.9808799226874751
Energy: 1.882591519640429
Energy: 1.7679866251335492
Energy: 1.757655276307603
Energy: 1.8067788647284715
Energy: 1.8758328904467096
Energy: 1.8603252660197422
Energy: 1.7101044902717795
Energy: 1.7622243758935983
Energy: 1.8677696201097964
Energy: 1.9559851171641613
Energy: 1.8815305547622028
Energy: 1.9057529796386252
Energy: 1.8757451818662125
Energy: 1.855296447593703
Energy: 1.8687713211740313
Energy: 1.8110604270656692
Energy: 1.8232364288396874
Energy: 1.8641954473386342
Energy: 1.8044987455380395
Energy: 1.8076558915321463
Energy: 1.7257846636697447
Energy: 1.7208148029391659
Energy: 1.792000869665426
Energy: 1.7939104802431194
Energy: 1.7815747652537812
Energy: 1.7940695904756503
Energy: 1.861972003892741
Energy: 1.7676219001812365
Energy: 1.715223756882414
Energy: 1.7783388342808713
Energy: 1.8815022824295227
Energy: 1.882238582916592
Energy: 1.7102210803560043
Energy: 1.7114493305347251
Energy: 1.8816701388502195
Energy: 1.8864635473140599
Energy: 1.7357919540066986
Energy: 1.7329040980328874
Energy: 1.8203292408434741
Energy: 1.873953651863195
Energy: 1.7964002989339884
Energy: 1.7842000358273662
Energy: 1.725790292416611
Energy: 1.709018677307057
Energy: 1.949281619247877
Energy: 1.781889286451345
Energy: 1.9514360639347768
Energy: 1.8485823539263966
Energy: 1.6834510643386746
Energy: 1.6697600540848954
Energy: 1.8187999415066731
Energy: 1.89206857902576
Energy: 1.8337599744509725
Energy: 1.8796887734058287
Energy: 1.8413670633798007
Energy: 1.8900477003695435
Energy: 1.9811712095660439
Energy: 1.8296840583389358
Energy: 1.8637820287863796
Energy: 1.8653548405494451
Energy: 2.0945348445412946
Energy: 1.9360884016160635
Energy: 1.968103627255373
Energy: 1.9385101940185956
Energy: 1.952325483770673
Energy: 2.0842276259672965
Energy: 1.8506399899651376
Energy: 1.8967028781211832
Energy: 1.924032669515592
Energy: 1.8953596037551639
Energy: 1.8430819172199886
Energy: 2.004900722712922
Energy: 1.9414665322868192
Energy: 1.9517348139059794
Energy: 1.9976727680520965
Energy: 1.941042335826727
Energy: 1.9064588868475936
Energy: 2.029166741366965
Energy: 2.0765969061900567
Energy: 2.0432802374948666
Energy: 1.8744029180760249
Energy: 2.043912191149888
Energy: 1.9142561734536925
Energy: 2.023016049270055
Energy: 1.9284212613688532
Energy: 1.7824903807460015
Energy: 2.0725799797180366
Energy: 1.9367466333624148
Energy: 1.9457776099068762
Energy: 1.802561219899158
Energy: 1.9302759854283116
Energy: 1.9418993853471622
Energy: 1.8543703447501176
Energy: 1.911196094214337
Energy: 1.9683208139655526
Energy: 1.9147264364950294
Energy: 1.8793824773412147
Energy: 1.9350533637372829
Energy: 1.9476524388901273
Energy: 1.8836929765618817
Energy: 1.9129237868203053
Energy: 1.868136521792375
Energy: 2.1224907330791356
Energy: 1.8973389609460845
Energy: 2.01901081788825
Energy: 2.0176340442215555
Energy: 1.8794079264589387
Energy: 2.125341660630719
Energy: 2.0281449547200547
Energy: 2.082263856197238
Energy: 1.9242963977715775
Energy: 2.065583831001347
Energy: 1.9948707570521584
Energy: 2.006810473480382
Energy: 2.067132546301398
Energy: 1.8391781598846415
Energy: 1.9495097296480821
Energy: 1.9599831890350135
Energy: 1.9825683904348173
Energy: 1.851295014534792
Energy: 1.9085486674240792
Energy: 1.9525625860550437
Energy: 1.8709036592370467
Energy: 2.114382534211524
Energy: 1.9428754605311573
Energy: 1.988401878277643
Energy: 1.99797935461938
Energy: 1.909791249450528
Energy: 2.1417185271983805
Energy: 1.8335932101591705
Energy: 2.0201838699911754
Energy: 1.9078595176232693
Energy: 1.9603954977137186
Energy: 2.0480473057266413
Energy: 1.9038535817657027
Energy: 1.9495649660127217
Energy: 1.8229249241130743
Energy: 1.8418488297565596
Energy: 1.821755457248225
Energy: 1.827510690791816
Energy: 1.7207282552808443
Energy: 1.8642589231308593
Energy: 1.8720243185030194
Energy: 1.8214280198267296
Energy: 1.8810795091460693
Energy: 1.8428695222041207
Energy: 1.9096394054197905
Energy: 1.8424218203701377
Energy: 1.872645982404547
Energy: 1.9912582815097595
Energy: 1.8091488491563046
Energy: 1.7248196082478633
Energy: 1.6744624956514516
Energy: 1.9801680818079508
Energy: 1.9378281819502527
Energy: 1.7183990193760896
Energy: 1.7592862522301402
Energy: 1.8125118698478533
Energy: 1.842592969306827
Energy: 1.9117256864710557
Energy: 1.7103246257999298
Energy: 1.7669280602608466
Energy: 1.8413581993871624
Energy: 1.9383000903606808
Energy: 1.8678398178110056
Energy: 1.909935478356154
Energy: 1.8276209270596409
Energy: 1.8070793359439572
Energy: 1.7565998942088064
Energy: 1.8403793984988364
Energy: 1.8224973750156472
Energy: 1.8944385352317612
Energy: 1.8129520172871973
Energy: 1.8513311258205332
Energy: 1.8542252352068
Energy: 1.7982465342094844
Energy: 1.7909279669169844
Energy: 1.7973207343627136
Energy: 1.8441374868019613
Energy: 1.7969541427097
Energy: 1.8617690744311703
Energy: 1.7667512374029692
Energy: 1.8497637222832461
Energy: 1.8569157564653496
Energy: 1.8828221520900719
Energy: 1.9121965645395989
Energy: 1.7024242079438
Energy: 1.7901513914720004
Energy: 1.881407935226501
Energy: 1.8816715381000635
Energy: 1.6795815977913755
Energy: 1.7323133076545978
Energy: 1.917560203714114
Energy: 1.870502133288799
Energy: 1.9077011545178972
Energy: 1.8188249035677342
Energy: 1.7255331053087102
Energy: 1.7563049941429305
Energy: 1.9354999082272861
Energy: 1.840026626512613
Energy: 1.937882425271353
Energy: 1.8445350771316054
Energy: 1.732167848875062
Energy: 1.6706705117791247
Energy: 1.850082482346358
Energy: 1.8485853532922054
Energy: 1.8324156972472145
Energy: 1.8814747659966886
Energy: 1.8532799146917847
Energy: 1.9494390382256392
Energy: 2.008489629439407
Energy: 1.832320615720597
Energy: 1.8588871805318326
Energy: 1.8487529900239628
Energy: 2.0238636434415085
Energy: 1.9337667786385282
Energy: 1.9679951216017277
Energy: 1.9435473878205427
Energy: 1.928034003716068
Energy: 2.0629973176484877
Energy: 1.8158793067345038
Energy: 1.932626130475636
Energy: 1.9008646444362924
Energy: 1.890204615212719
Energy: 1.9796937227295917
Energy: 1.992097023178931
Energy: 1.9491587594657551
Energy: 2.0291619864693677
Energy: 2.0348548940221036
Energy: 2.0344230658046945
Energy: 1.962371250247168
Energy: 2.062472377706731
Energy: 2.0476839326300156
Energy: 2.0676225321274324
Energy: 1.8859817353496482
Energy: 2.026396037420952
Energy: 1.873483805073231
Energy: 2.091070395762602
Energy: 1.8941313531790411
Energy: 1.7806491160731113
Energy: 2.0457615954431025
Energy: 1.9627736854162614
Energy: 1.990235019060216
Energy: 1.8153804142505088
Energy: 2.0787315765228023
Energy: 1.9701980391716822
Energy: 1.8209560818654373
Energy: 1.9181623962062921
Energy: 1.9665828695149383
Energy: 1.9726611053831937
Energy: 1.861009181465342
Energy: 1.9302172012634073
Energy: 1.9618731833802288
Energy: 1.8893629212768255
Energy: 2.018382690133904
Energy: 1.8652467363805498
Energy: 2.0056352067499486
Energy: 1.8797569227045234
Energy: 2.0211905831610952
Energy: 1.9709596362856197
Energy: 1.95716697102035
Energy: 2.0336561917225495

minimum gb energy = 1.6697600540848954 eV
minimum distance =  2.39091151122406 Angstroms
sigma value = 365


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

Energy: 1.7833545925994398
Energy: 1.930153151393271
Energy: 1.7546804658195272
Energy: 1.751014998558671
Energy: 1.7513257999135132
Energy: 1.753688558001291
Energy: 1.7592108665119008
Energy: 1.8453782866403017
Energy: 1.9338903617416798
Energy: 1.7196510482160532
Energy: 1.7345831628785013
Energy: 1.7315842218796833
Energy: 1.7205239390427907
Energy: 1.935833685346485
Energy: 1.7629143946419557
Energy: 1.877492623800613
Energy: 1.7252041859426719
Energy: 1.7359682232097826
Energy: 1.7338267491609938
Energy: 1.742226301479668
Energy: 1.7386926931558995
Energy: 1.796492061385716
Energy: 1.882827615760549
Energy: 1.727299876978361
Energy: 1.7371752158444478
Energy: 1.7382336819761062
Energy: 1.7322706297736181
Energy: 1.741580854285422
Energy: 1.6209026155963482
Energy: 1.9302463209993428
Energy: 1.5110715400203674
Energy: 1.9362335746539034
Energy: 1.7342176540469325
Energy: 1.5098639568910064
Energy: 1.9350034632812865
Energy: 1.7834181349869378
Energy: 1.8728476021815568
Energy: 1.7354549400060453
Energy: 1.7514397060663864
Energy: 1.751911568011526
Energy: 1.74420531056725
Energy: 1.7389863505742966
Energy: 1.8120026303666668
Energy: 1.9518739617549161
Energy: 1.720160588189262
Energy: 1.7342440499867826
Energy: 1.7308860976536933
Energy: 1.718868419986146
Energy: 1.9425784549801237
Energy: 1.8273414948614723
Energy: 1.8756267034022174
Energy: 1.723737118189665
Energy: 1.7345265347612604
Energy: 1.7318083380143576
Energy: 1.7206326811974326
Energy: 1.9573853510146653
Energy: 1.7878441785023371
Energy: 1.8766251493471569
Energy: 1.7285712640047064
Energy: 1.7516353001907554
Energy: 1.7510476543797673
Energy: 1.7402304210208785
Energy: 1.741863381637617
Energy: 1.6261746029367083
Energy: 1.974464398617438
Energy: 1.512070441814197
Energy: 1.9376995516072242
Energy: 1.9351065650697878
Energy: 1.5105782188213963
Energy: 1.934585500178874
Energy: 1.7558039355527053
Energy: 1.8821930687443484
Energy: 1.727635917920981
Energy: 1.7377832564036046
Energy: 1.752615156838052
Energy: 1.7322877622959274
Energy: 1.7439282918349335
Energy: 1.7700650220432472
Energy: 1.8859380804169945
Energy: 1.7248036236945037
Energy: 1.7357408280385922
Energy: 1.7334211176691698
Energy: 1.7221475811655271
Energy: 1.9713323968534482
Energy: 1.841070982769253
Energy: 1.9518278296010865
Energy: 1.7183257185257097
Energy: 1.7325398937907799
Energy: 1.732031414786126
Energy: 1.7189531711537005
Energy: 1.9372258240908957
Energy: 1.7835478937377132
Energy: 1.8725334474245363
Energy: 1.7348922972108383
Energy: 1.75103248063046
Energy: 1.7517703632291581
Energy: 1.7437625446911325
Energy: 1.7586698725457393
Energy: 1.5898247290262533
Energy: 1.9315495757945371
Energy: 1.510468866436289
Energy: 1.7356851712408397
Energy: 1.7314206762397206
Energy: 1.7190817898902688
Energy: 1.9351705565236874
Energy: 1.7556980548718295
Energy: 1.881724081577921
Energy: 1.727355319621735
Energy: 1.7368382828842184
Energy: 1.7381091163577842
Energy: 1.729004850194039
Energy: 1.7399174222380422
Energy: 1.7657844102025253
Energy: 1.8762544558349332
Energy: 1.7251838208824468
Energy: 1.7375901289570381
Energy: 1.7335650400425473
Energy: 1.7270721679574212
Energy: 1.7397323413688581
Energy: 1.591877115848868
Energy: 1.932834872008214
Energy: 1.7180461337288337
Energy: 1.7331927585220148
Energy: 1.7325166697615562
Energy: 1.7184121489947974
Energy: 1.9336995683930993
Energy: 1.7829499509866915
Energy: 1.8693245264054443
Energy: 1.736002254306812
Energy: 1.750822959958901
Energy: 1.75173736434768
Energy: 1.7539439085231932
Energy: 1.7608557581557718
Energy: 1.844367235976222
Energy: 1.9382136640077448
Energy: 1.7180030580164625
Energy: 1.7347550172049
Energy: 1.7302594794653536
Energy: 1.716913205020548
Energy: 1.9373597543795296

minimum gb energy = 1.5098639568910064 eV
minimum distance =  2.47421587094877 Angstroms
sigma value = 23