Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_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=3.8000004738569264
cohesive_energy=5.750452274017433
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, 6.12025065481464e-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: 0.024583487262163833
Energy: 0.025543719568668917
Energy: 1.003680124505611
Energy: 1.4669944658771858
Energy: 1.4668737942481396
Energy: 0.6157596772636389
Energy: 0.02550385494496887
Energy: 0.025033114099521393
Energy: 1.5195685036439772
Energy: 0.45232009575239207
Energy: 1.0037698073073444
Energy: 1.0024297442039372
Energy: 0.025525484128094904
Energy: 0.2724736223721771
Energy: 0.02504732579703394
Energy: 1.4656026831410123
Energy: 1.3304472403657686
Energy: 1.327650660979352
Energy: 1.2399530121861257
Energy: 0.272487911214791
Energy: 0.2724117099473175
Energy: 0.024653471905264516
Energy: 1.0037648172230957
Energy: 1.0035847710701071
Energy: 1.4671971670021644
Energy: 1.4662104743252187
Energy: 0.2730380072730449
Energy: 0.025671735941083868
Energy: 0.27407615230391347
Energy: 0.616278147312303
Energy: 0.4522808561396958
Energy: 1.0031952974962761
Energy: 1.022618339846881
Energy: 0.025355288465429632
Energy: 0.2726683229226852
Energy: 0.025024732709642648
Energy: 1.0036012591763663
Energy: 1.329571970938732
Energy: 1.3289245626647395
Energy: 1.2387697844391694
Energy: 0.2725787052058066
Energy: 0.2720272356258298

minimum gb energy = 0.024583487262163833 eV
minimum distance =  2.66538377685293 Angstroms
sigma value = 5


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

Energy: 1.7980405923400988
Energy: 1.9261640410857523
Energy: 1.838804506408925
Energy: 1.9493658175075175
Energy: 1.632465936291471
Energy: 1.8286031640414004
Energy: 1.879726370212329
Energy: 1.6014169936593
Energy: 1.666379292382521
Energy: 1.577328191126898
Energy: 1.7930363428273413
Energy: 1.7189317139708933
Energy: 1.6714721449646133
Energy: 1.709011228353774
Energy: 1.685030933420035
Energy: 1.7359431223847335
Energy: 1.7941240595505565
Energy: 1.8202492215514259
Energy: 1.8334093430607814
Energy: 1.792409022229217
Energy: 1.8889716453416499
Energy: 1.5786244853738582
Energy: 1.726571655364947
Energy: 1.6318343097957821
Energy: 1.8285545102011354
Energy: 1.7075676906005124
Energy: 1.586355927231945
Energy: 1.7400752433433908
Energy: 1.7964560766587108
Energy: 1.796173958859076
Energy: 1.7481476458809964
Energy: 1.6126504364535317
Energy: 1.8480656444385972
Energy: 1.8975464482575883
Energy: 1.7887599217502894
Energy: 1.7011166131961901
Energy: 1.7070246358578225
Energy: 1.6758041528814485
Energy: 1.5872861571709909
Energy: 1.605449715730565
Energy: 1.666358714162885
Energy: 1.847126080353087
Energy: 1.7515921714045695
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Energy: 1.6283773624369022
Energy: 1.7910486407409962
Energy: 1.8934423563585228
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Energy: 1.6598482086951405
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Energy: 1.5644014844637162
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Energy: 1.7107519157580375
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Energy: 1.6801153784463372
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Energy: 1.5737304010902977
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Energy: 1.6792106075602393
Energy: 1.7639790466809453
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Energy: 1.7787404380297784
Energy: 1.721857830963701
Energy: 1.912831569260008
Energy: 1.5783663044698062
Energy: 1.797896373546917
Energy: 1.7541693394857805
Energy: 1.6512100245172707
Energy: 1.8822347292409665
Energy: 1.5776293772080392
Energy: 1.7642200522014804
Energy: 1.630383131157355
Energy: 1.8727649332792577
Energy: 1.7299711028900955
Energy: 1.5879091478543437
Energy: 1.786174883200078
Energy: 1.777867340922891
Energy: 1.8491808501992129
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Energy: 1.8068609932102433
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Energy: 1.7069328556729355
Energy: 1.702677034799475
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Energy: 1.671488507216095
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Energy: 1.741358009606652
Energy: 1.8157063705616863
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Energy: 1.686282941368877
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Energy: 1.818639803052141
Energy: 1.6396455262362921
Energy: 1.6225206911455456
Energy: 1.878697369248778
Energy: 1.85671125211368
Energy: 1.6696056538909918
Energy: 1.7998145682703157
Energy: 1.8228997624928118
Energy: 1.8250825485076099
Energy: 1.8097051013757233
Energy: 1.756372588297908
Energy: 1.6884181630475095
Energy: 1.9624439316541624
Energy: 1.6801432496330757
Energy: 1.7100193126807142
Energy: 1.7270889783598702
Energy: 1.7518129661090809
Energy: 1.943186869770948
Energy: 1.6750858171936442
Energy: 1.6884992022961132
Energy: 1.7137529374682785
Energy: 1.6670701207555083
Energy: 1.8323908561542368
Energy: 1.9350589290336484
Energy: 1.8671128501988974
Energy: 1.6544838804697695
Energy: 1.6955365009838894
Energy: 1.6779412040281656
Energy: 1.5628714420603402
Energy: 1.5940703379298402
Energy: 1.6155235871047464
Energy: 1.7738174258694497
Energy: 1.8515298958278248
Energy: 1.6897620425629853
Energy: 1.8219630667222508
Energy: 1.75149840306792
Energy: 1.818085558692762
Energy: 1.8241883947085538
Energy: 1.9864439898607862
Energy: 1.5681645143307434
Energy: 1.6965145669669388
Energy: 1.6125786566913463
Energy: 1.5988374758325634
Energy: 1.6546518861534434
Energy: 1.6598672385621025
Energy: 1.7201936177615051
Energy: 1.5650826927299144
Energy: 1.6928093028318312
Energy: 1.7811446776829996
Energy: 1.7921485943735238
Energy: 1.71221274703356
Energy: 1.6863719011615936
Energy: 1.6191620584632165
Energy: 1.6525504887148676
Energy: 1.6690526800357273
Energy: 1.7627817716971197
Energy: 1.8120132335809986
Energy: 1.6381808761522167
Energy: 1.6384741096294286
Energy: 1.6902089484309046
Energy: 1.741213520540656
Energy: 1.6760200555373035
Energy: 1.6587862017083566
Energy: 1.8731740484004258
Energy: 1.8562744891241671
Energy: 1.6836067036330415
Energy: 1.5683945294593753

minimum gb energy = 1.5606888048031413 eV
minimum distance =  2.41154184078086 Angstroms
sigma value = 401


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

Energy: 1.6550736597086804
Energy: 1.654789802333056
Energy: 1.713709952762414
Energy: 1.6945645775731715
Energy: 1.905606512508642
Energy: 1.6859084071656822
Energy: 1.656760029703067
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Energy: 1.6093394096303935
Energy: 1.5887048781603779
Energy: 1.6889870794477353
Energy: 1.6519171847889813
Energy: 1.595072046336823
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Energy: 1.6951984896846544
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Energy: 1.612645631432085
Energy: 1.6183033707001022
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Energy: 1.633047350520325
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Energy: 1.5899318550303396
Energy: 1.5996251820664857
Energy: 1.610413895024269
Energy: 1.802308264735736
Energy: 1.5935650780843922
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Energy: 1.672446558734137
Energy: 1.6035212256420763
Energy: 1.6600021358248935
Energy: 1.7349329815328114
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Energy: 1.6152905211830935
Energy: 1.7437666705393926
Energy: 1.5730494311543621
Energy: 1.7722135662929457
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Energy: 1.6938007022612842
Energy: 1.756856759425058
Energy: 1.6774644933209113
Energy: 1.7473983880319746
Energy: 1.5711206803854787
Energy: 1.7599484437031192
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Energy: 1.6644991773312856
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Energy: 1.6902138666343105
Energy: 1.9640366483317504
Energy: 1.6678158130846363
Energy: 1.6792889040906387
Energy: 1.679634521138732
Energy: 1.6457046726940368
Energy: 1.6660419024362756
Energy: 1.5644402388511482
Energy: 1.6891671534290311
Energy: 1.5744160796035451
Energy: 1.680372700298885
Energy: 1.5762262461689758
Energy: 1.6451603778782862
Energy: 1.5671198087536973
Energy: 1.5638709538416211
Energy: 1.7011940188902506
Energy: 1.7519471824593418
Energy: 1.6426954322924796
Energy: 1.7623258682557987
Energy: 1.6350623395937363
Energy: 1.6872214020132086
Energy: 1.7918829797111413
Energy: 1.6650239982302593
Energy: 1.6392010515408029
Energy: 1.7073034610123905
Energy: 1.6625487741782745
Energy: 1.6293829862715998
Energy: 1.7307637309950867
Energy: 1.6590034617546823
Energy: 1.6893689003392138
Energy: 1.6448155123398924
Energy: 1.7274727574657553
Energy: 1.5861059104694741
Energy: 1.7311579714869532
Energy: 1.6023213555984366
Energy: 1.592217423275191
Energy: 1.6777088443994186
Energy: 1.5993151942600332
Energy: 1.604852521438779
Energy: 1.8022490120270422
Energy: 1.6471483072012405
Energy: 1.5736711868858864
Energy: 1.6841005510733307
Energy: 1.6029165248891388
Energy: 1.5931267964168074
Energy: 1.587040994953271
Energy: 1.7915438442696778
Energy: 1.6023735904168237
Energy: 1.7138770537885255
Energy: 1.6459292255319145
Energy: 1.5897254426288365
Energy: 1.604255458034129
Energy: 1.588826233610489
Energy: 1.6738099922780783
Energy: 1.582520844169996
Energy: 1.7650209780493777
Energy: 1.6929946417152406
Energy: 1.693363508307736
Energy: 1.8229944633194555
Energy: 1.712993730852101
Energy: 1.749277921772353
Energy: 1.682330634308241
Energy: 1.6894009839504756
Energy: 1.578165038704944
Energy: 1.7246305353423117
Energy: 1.5995538122326112
Energy: 1.6207132350205837
Energy: 1.6442319532318708
Energy: 1.6057128762443909
Energy: 1.690251370997314
Energy: 1.5979935824354334
Energy: 1.6977046792617707
Energy: 1.783444282829699
Energy: 1.6686836241616074
Energy: 1.682113585958652
Energy: 1.6160492280793664
Energy: 1.590949495398747
Energy: 1.8568463346476751
Energy: 1.584924183654055
Energy: 1.7828664895162787
Energy: 1.5923461753470922
Energy: 1.5866102279187821
Energy: 1.620424991556926
Energy: 1.5670295074632559
Energy: 1.562287005017683
Energy: 1.7815171294104772
Energy: 1.756076933732181
Energy: 1.5892527074454077
Energy: 1.750737637094562
Energy: 1.6681173458277108
Energy: 1.591840461401864
Energy: 1.7936315758731802
Energy: 1.728285563444098
Energy: 1.632034752139325
Energy: 1.7747637963351932
Energy: 1.653133739344315
Energy: 1.843469739251679
Energy: 1.6906820163267902
Energy: 1.8196900477233
Energy: 1.7168189336430777
Energy: 1.7127259620419566
Energy: 1.7274423839338175
Energy: 1.586523677333994
Energy: 1.6435384724481832
Energy: 1.887940662271687
Energy: 1.6496471106477555
Energy: 1.6323273618522738
Energy: 1.6003960757634283
Energy: 1.5939140976201458
Energy: 1.8272756574435578
Energy: 1.7315161698583146
Energy: 1.6020744135341487
Energy: 1.631435476119372
Energy: 1.6260304184639893

minimum gb energy = 1.562287005017683 eV
minimum distance =  2.38915357394188 Angstroms
sigma value = 311


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

Energy: 1.7655922006713072
Energy: 1.6736032371517406
Energy: 1.7482604173568133
Energy: 1.7960290248380544
Energy: 1.717332422652714
Energy: 1.6125906445987273
Energy: 1.756592990956925
Energy: 1.619917928731684
Energy: 1.8208961810969888
Energy: 1.6283924518382769
Energy: 1.640781275000746
Energy: 1.641117233339554
Energy: 1.6301388303349964
Energy: 1.7256576073328207
Energy: 1.6545367175547712
Energy: 1.645154777948574
Energy: 1.6437659808960787
Energy: 1.6708300703131382
Energy: 1.6511632065394781
Energy: 1.6518346986846528
Energy: 1.6474595893207076
Energy: 1.595444219153403
Energy: 1.8456612037173774
Energy: 1.6008952971894275
Energy: 1.666000646561574
Energy: 1.6717435811555745
Energy: 1.6041698244118356
Energy: 1.5943964266964705
Energy: 1.7466833815386502
Energy: 1.7377034840830803
Energy: 1.6605022121646826
Energy: 1.8213890446200898
Energy: 1.7097520084301085
Energy: 1.7864892378091772
Energy: 1.719874846231725
Energy: 1.6367568706353044
Energy: 1.7332842725896593
Energy: 1.6731920584982911
Energy: 1.693669378989988
Energy: 1.6956465001172574
Energy: 1.5949993629231927
Energy: 1.7072686069140426
Energy: 1.7479411687691702
Energy: 1.8199700992501493
Energy: 1.7470046284420437
Energy: 1.679167486114166
Energy: 1.8527727131831304
Energy: 1.6114157239204936
Energy: 1.7546752047144734
Energy: 1.6252539235578103
Energy: 1.821380888371818
Energy: 1.6312907855079708
Energy: 1.668421388644346
Energy: 1.6726085855992092
Energy: 1.6320997847596814
Energy: 1.6740411355350278
Energy: 1.7614558275948446
Energy: 1.6449235761590086
Energy: 1.7336010151939263
Energy: 1.8045554433386433
Energy: 1.6711871369823297
Energy: 1.6509538837811988
Energy: 1.7168669539262278
Energy: 1.5954055070089033
Energy: 1.7553887079542285
Energy: 1.59625549026242
Energy: 1.6771731291608316
Energy: 1.6621018038370887
Energy: 1.603895950832072
Energy: 1.821052590958034
Energy: 1.7076512969849622
Energy: 1.7044328315369661
Energy: 1.6753651778111984
Energy: 1.8216564192576041
Energy: 1.6621445518123972
Energy: 1.7855966071698948
Energy: 1.6943740784915817
Energy: 1.5942309467467308
Energy: 1.7111423102299996
Energy: 1.6730459718426054
Energy: 1.6927590148728722
Energy: 1.6617493665203709
Energy: 1.5960096567115551
Energy: 1.7255356015793097
Energy: 1.789840535036902
Energy: 1.7375462313793923
Energy: 1.7463818576797427
Energy: 1.6811490335965023
Energy: 1.8522615037440793
Energy: 1.6117069712434504
Energy: 1.7531470268489724
Energy: 1.592547591599718
Energy: 1.903128335479503
Energy: 1.6405287784708258
Energy: 1.6705242500253035
Energy: 1.684293007498313
Energy: 1.6298332665857138
Energy: 1.8341711652449304
Energy: 1.7123634891722452
Energy: 1.7159050160726046
Energy: 1.7077012772548923
Energy: 1.6481940499540857
Energy: 1.6728811332635223
Energy: 1.650837341281474
Energy: 1.6572132421343602
Energy: 1.598944565385936
Energy: 1.7482720325642682
Energy: 1.5995515633629969
Energy: 1.6758764729818518
Energy: 1.7195839495847864
Energy: 1.6195626919154487
Energy: 1.8204030556924526
Energy: 1.8184966096488608
Energy: 1.7066860782602733
Energy: 1.682409700985828
Energy: 1.8355125899802434
Energy: 1.6809936812380684
Energy: 1.7855728158052722
Energy: 1.6932071817801426
Energy: 1.5917977331814652
Energy: 1.7119931571874263
Energy: 1.5927410391372196
Energy: 1.705102986009233
Energy: 1.7831284985209048
Energy: 1.6809978623981867
Energy: 1.691856557338662
Energy: 1.7637655306706488
Energy: 1.6935545468055928
Energy: 1.747259537028478
Energy: 1.680293554988228
Energy: 1.7547605357633722
Energy: 1.7035691057944728
Energy: 1.7564273682630138
Energy: 1.6303078478030038
Energy: 1.8172601654630671
Energy: 1.6029362182094395
Energy: 1.797485384185681
Energy: 1.6403129264401832
Energy: 1.6734670040896997
Energy: 1.9077845935384132
Energy: 1.699937166214597
Energy: 1.6526920318429845
Energy: 1.7028216227487702
Energy: 1.6502210973041629
Energy: 1.5845520977151384
Energy: 1.760623587788841
Energy: 1.6576636898763852
Energy: 1.5997344660264512
Energy: 1.7287049200015097
Energy: 1.592182438552635
Energy: 1.6764850761433656
Energy: 1.6706994725473232
Energy: 1.5956742309265723
Energy: 1.6453313468104687
Energy: 1.5967483208626159
Energy: 1.7095553491615192
Energy: 1.6707292093939132
Energy: 1.844495293930427
Energy: 1.6736023122924766
Energy: 1.8118164992919286
Energy: 1.706028611339258
Energy: 1.6003983840374916
Energy: 1.6593983538651629
Energy: 1.5982249590787256
Energy: 1.7857394294911548
Energy: 1.7820634608423183
Energy: 1.6801301248987495
Energy: 1.7679268707457882
Energy: 1.760933382903923
Energy: 1.6485793290962982
Energy: 1.747165783937152
Energy: 1.675985853461721
Energy: 1.7540493074793628
Energy: 1.7042835300862222
Energy: 1.6805186793899078
Energy: 1.672386274347568
Energy: 1.7510482913310734
Energy: 1.691729239909733
Energy: 1.8021891336725184
Energy: 1.6826563979484614
Energy: 1.668390824541412
Energy: 1.7475626947431098
Energy: 1.7008908442913138
Energy: 1.6504839462413319
Energy: 1.6989926585211073
Energy: 1.6583738332473004
Energy: 1.8175405159792926
Energy: 1.6182132399099713
Energy: 1.6552189041583663
Energy: 1.6751203640784706
Energy: 1.726324858331021
Energy: 1.724969527306059
Energy: 1.6664600368325082
Energy: 1.7445076642776698
Energy: 1.5972452552741694
Energy: 1.746517362459515
Energy: 1.6653936911182285
Energy: 1.7090787198554518
Energy: 1.6729273314965456
Energy: 1.8383267791485831
Energy: 1.6642977296332384
Energy: 1.8117616953784674
Energy: 1.6957500864476305
Energy: 1.5985778418477004
Energy: 1.7889479495783196
Energy: 1.692203329614245
Energy: 1.791139471698134
Energy: 1.7820301554820879
Energy: 1.6079380242398766
Energy: 1.83389900331296
Energy: 1.7553623626487533
Energy: 1.6555394181043401
Energy: 1.752397268354839
Energy: 1.7540484291800005
Energy: 1.7561139561654602
Energy: 1.667672582014781
Energy: 1.6822567462779503
Energy: 1.742151944238355
Energy: 1.7475380503525269
Energy: 1.6466400379371013
Energy: 1.7991751327571277
Energy: 1.6825179514297912
Energy: 1.6522279410399865
Energy: 1.6506589153590923
Energy: 1.6683153978005214
Energy: 1.6518042624645515
Energy: 1.665385055625463
Energy: 1.6425499603097442
Energy: 1.7860643948394903
Energy: 1.635332604514535
Energy: 1.6580045395913972
Energy: 1.6971728269842437
Energy: 1.6523962306028668
Energy: 1.7363218084128884
Energy: 1.6652726801358892
Energy: 1.7436053548926236
Energy: 1.6528742024132386
Energy: 1.744274934343911
Energy: 1.6703917026549702
Energy: 1.709124495231037
Energy: 1.6647056752917604
Energy: 1.8416346484021568
Energy: 1.6643119058171798
Energy: 1.8142775013243984
Energy: 1.8305917435442607
Energy: 1.5979283290376127
Energy: 1.8330103094736794
Energy: 1.6930095427520289
Energy: 1.798005708187242
Energy: 1.7370425803142837
Energy: 1.6083300254060033
Energy: 1.7689815236389554

minimum gb energy = 1.5845520977151384 eV
minimum distance =  2.35545670586946 Angstroms
sigma value = 39


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

Energy: 1.574660984688448
Energy: 1.5343901007469827
Energy: 1.6086507283294527
Energy: 1.6804932348106354
Energy: 1.6866225133510906
Energy: 1.7375360169209277
Energy: 1.5352182708013722
Energy: 1.5271466905340882
Energy: 1.6892811474994482
Energy: 1.6878047823115387
Energy: 1.6373978703914382
Energy: 1.5971116897763136
Energy: 1.6045850041582497
Energy: 1.6665615631446398
Energy: 1.6065204983900383
Energy: 1.5641217725464929
Energy: 1.679738421692588
Energy: 1.605745238481577
Energy: 1.5621908946479786
Energy: 1.6071784221559575
Energy: 1.6034504747540435
Energy: 1.6042317393655299
Energy: 1.6004789245944155
Energy: 1.5622090516465001
Energy: 1.6719225650365956
Energy: 1.6046709910334538
Energy: 1.6752824031177675
Energy: 1.7169864270721473
Energy: 1.6056964764710693
Energy: 1.566171169857032
Energy: 1.606545727214807
Energy: 1.6761642212152472
Energy: 1.7305475739429945
Energy: 1.7045978301029334
Energy: 1.6032477243472707
Energy: 1.5309130915943034
Energy: 1.5631072581247607
Energy: 1.654658718942245
Energy: 1.7523739841918557
Energy: 1.7177759831657755
Energy: 1.6551662487875147
Energy: 1.601261728737406
Energy: 1.6845485888023262
Energy: 1.6911729886915685
Energy: 1.634019878561708
Energy: 1.772169098595936
Energy: 1.5314117720133136
Energy: 1.5221280682429092
Energy: 1.6461704557923909
Energy: 1.5149234359771278
Energy: 1.680944518220937
Energy: 1.7756624177846092
Energy: 1.6895198829593132
Energy: 1.7415920846244233
Energy: 1.6985227902783657
Energy: 1.6857196560804197
Energy: 1.5220631527164903
Energy: 1.6831406253093089
Energy: 1.7554975545344775
Energy: 1.5997012393265804
Energy: 1.5990578300627354
Energy: 1.6314927749918837
Energy: 1.6668725948198804
Energy: 1.6864168965257416
Energy: 1.6025433586401336
Energy: 1.675540043580094
Energy: 1.636780888025999
Energy: 1.5629002058433294
Energy: 1.606001042918445
Energy: 1.6023456451178701
Energy: 1.6101017137247788
Energy: 1.6103217568445973
Energy: 1.6807659606632221
Energy: 1.601956732319992
Energy: 1.5637509870938284
Energy: 1.6145191695380436
Energy: 1.7136881978191834
Energy: 1.6336627682844944
Energy: 1.5636527276551169
Energy: 1.6010554933220131
Energy: 1.6743103247291946
Energy: 1.636379843265067
Energy: 1.6557514098681305
Energy: 1.6462055641736966
Energy: 1.5205937926751367
Energy: 1.5622440374917064
Energy: 1.604920619168269
Energy: 1.6754267624594563
Energy: 1.6839180123840312
Energy: 1.6988544704968103
Energy: 1.6021807816603033
Energy: 1.6829718230553172
Energy: 1.6033027871134344
Energy: 1.6765770021825366
Energy: 1.7537107192814296
Energy: 1.5320009117090654
Energy: 1.523941682148119
Energy: 1.7211563306435724
Energy: 1.5276220212956466
Energy: 1.691259298554424
Energy: 1.6322964266975162
Energy: 1.756017602364402
Energy: 1.5241764100358408
Energy: 1.5153971119285046
Energy: 1.6668211119742768
Energy: 1.5152400061499018
Energy: 1.5622941753152675
Energy: 1.754322879546027
Energy: 1.6806578125127065
Energy: 1.687653591600953
Energy: 1.737485657752229
Energy: 1.534749572158976
Energy: 1.6049698716052054
Energy: 1.6895466188381847
Energy: 1.690543403392513
Energy: 1.637420930247826
Energy: 1.5978796800876582
Energy: 1.6041078360829573
Energy: 1.6673599352331234
Energy: 1.6062352221208638
Energy: 1.5644864165418197
Energy: 1.6794102682022787
Energy: 1.6057276433071825
Energy: 1.5619153489038329
Energy: 1.6078539566212506
Energy: 1.603456164806695
Energy: 1.604351926091337
Energy: 1.5627709655416113
Energy: 1.5620231646837417
Energy: 1.6715364118559168
Energy: 1.6383662256506024
Energy: 1.6754064899059329
Energy: 1.7168592113970091
Energy: 1.606236774034396
Energy: 1.5661587097919185
Energy: 1.6067043991671577
Energy: 1.675737295423621
Energy: 1.730410030509844
Energy: 1.7055395069100585
Energy: 1.6030979515741413
Energy: 1.5319786549306562
Energy: 1.563024865933708
Energy: 1.65443343323244
Energy: 1.7525744089137738
Energy: 1.7180912964012174
Energy: 1.5313409791193344
Energy: 1.601378144760331
Energy: 1.683291315242377
Energy: 1.6905417367644051
Energy: 1.63314782576725
Energy: 1.7717217733103985
Energy: 1.5316349750987535
Energy: 1.5226438273416305
Energy: 1.6468661761642167
Energy: 1.515472447333833
Energy: 1.68000529272929
Energy: 1.7732405950488552
Energy: 1.6898302748093719
Energy: 1.7425348182306584
Energy: 1.698312172536834
Energy: 1.6011148947742992
Energy: 1.5248757648497244
Energy: 1.7190826041371587
Energy: 1.755562833910368
Energy: 1.5998743442077048
Energy: 1.5994630058504102
Energy: 1.6345157852896113
Energy: 1.6673420097840712
Energy: 1.6884030072734828
Energy: 1.6889236250379016
Energy: 1.7114991453850843
Energy: 1.6371200323523056
Energy: 1.5627062793702253
Energy: 1.6053591033682115
Energy: 1.6014307000557988
Energy: 1.6090307075596277
Energy: 1.6100687773678402
Energy: 1.6820314099018885
Energy: 1.6010568322358603
Energy: 1.563419039925622
Energy: 1.6774755925614575
Energy: 1.7167257232871025
Energy: 1.6358689548057972
Energy: 1.5639139938378113
Energy: 1.5992068211184503
Energy: 1.6358550844385982
Energy: 1.6363937205665482
Energy: 1.654692482175655
Energy: 1.6468120294327067
Energy: 1.5216975147842924
Energy: 1.5624354741188968
Energy: 1.6048669636088102
Energy: 1.6751945427084454
Energy: 1.7061167822336973
Energy: 1.6988180435229665
Energy: 1.6021683375768696
Energy: 1.682736518915941
Energy: 1.6003147737268333
Energy: 1.676320598150042
Energy: 1.7537211386578204
Energy: 1.5318662273283061
Energy: 1.5241545032961081
Energy: 1.721922183555285
Energy: 1.527205756308892
Energy: 1.691703429069837
Energy: 1.6321483986725518
Energy: 1.7630795789449714
Energy: 1.5234230061755634
Energy: 1.5257629130277466
Energy: 1.6670725124912258

minimum gb energy = 1.5149234359771278 eV
minimum distance =  2.37509121917313 Angstroms
sigma value = 21


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

Energy: 1.9785176231222252
Energy: 1.905396043435032
Energy: 1.7301793285397475
Energy: 1.6531920261436803
Energy: 1.7245380363677396
Energy: 1.6566064458782306
Energy: 1.512903234884112
Energy: 1.637707366797803
Energy: 1.563833090004386
Energy: 1.8316434835190272
Energy: 1.8749235031577554
Energy: 1.5629618118613453
Energy: 1.7580743956180518
Energy: 1.839562109389378
Energy: 1.5751570692225527
Energy: 1.7286138935549888
Energy: 1.6862795195829328
Energy: 1.8784606801679866
Energy: 1.8099571123906826
Energy: 1.5472836708796176
Energy: 1.5541419189837886
Energy: 1.5465405760317466
Energy: 1.6238288552730453
Energy: 1.7090557253607281
Energy: 1.718907570600172
Energy: 1.7220189548490317
Energy: 1.6029016347125034
Energy: 1.6550854336911915
Energy: 1.547208356582575
Energy: 1.7138692092214625
Energy: 1.5947045676365548
Energy: 1.5782914460625241
Energy: 1.5574103329111675
Energy: 1.5981275739940792
Energy: 1.6566533293635588
Energy: 1.499030260012316
Energy: 1.5657394270706662
Energy: 1.7429745833504549
Energy: 1.6211700259729231
Energy: 1.5625455623322841
Energy: 1.565609702457242
Energy: 1.6307797312690064
Energy: 1.5446934995687949
Energy: 1.5621987512799667
Energy: 1.6024003819361456
Energy: 1.5626601451922923
Energy: 1.4985337312711517
Energy: 1.498844605784566
Energy: 1.657281548216379
Energy: 1.6608530113316187
Energy: 1.5799011534508849
Energy: 1.6882164315836152
Energy: 1.77383289270297
Energy: 1.5642257646203443
Energy: 1.548498906337529
Energy: 1.654762598484959
Energy: 1.5754516572733062
Energy: 1.6208181012280258
Energy: 1.6433512100031473
Energy: 1.9302406765028752
Energy: 1.6214627187320023
Energy: 1.6551972383602034
Energy: 1.6490730969685818
Energy: 1.5475607155714826
Energy: 1.7746448017318304
Energy: 1.623802830565577
Energy: 1.6527129398168423
Energy: 1.5824416908080907
Energy: 1.6522822168019347
Energy: 1.629436160373505
Energy: 1.5689874284891376
Energy: 1.6860571539946558
Energy: 1.6224849644636006
Energy: 1.6174159980804077
Energy: 1.5141583591334695
Energy: 1.5125189138031054
Energy: 1.7175650460158642
Energy: 1.5749905104108484
Energy: 1.5626990678048618
Energy: 1.6956350858052325
Energy: 1.879242826323295
Energy: 1.49882690842669
Energy: 1.500458870150312
Energy: 1.839427926055274
Energy: 1.4979945277220552
Energy: 1.5611866129369325
Energy: 1.6241080674297683
Energy: 1.6949351280812854
Energy: 1.6349294086807913
Energy: 1.575515489109565
Energy: 1.511258031395385
Energy: 1.5085250260073773
Energy: 1.7523749837849527
Energy: 1.5326501227683835
Energy: 1.679850902051083
Energy: 1.5950977787335985
Energy: 1.6538425960182757
Energy: 1.7851891520574745
Energy: 1.6570438860743697
Energy: 1.7305531219763473
Energy: 1.6243094484801837
Energy: 1.8812261476613208
Energy: 1.7738749137657817
Energy: 1.6036745566527046
Energy: 1.8093031916636082
Energy: 1.5463930269581232
Energy: 1.5801105544121046
Energy: 1.657180524011994
Energy: 1.618000461373453
Energy: 1.7132898070261888
Energy: 1.68922340253119
Energy: 1.654997431484368
Energy: 1.5476237039432783
Energy: 1.8118474627915218
Energy: 1.5999558499831168
Energy: 1.5825907079532102
Energy: 1.5636946664919253
Energy: 1.5760614380939537
Energy: 1.654005246907647
Energy: 1.4992950277482222
Energy: 1.563985274191456
Energy: 1.6585560013381222
Energy: 1.7799166606443186
Energy: 1.5630561998248553
Energy: 1.6360795178898777
Energy: 1.656655507944001
Energy: 1.4990186680643138
Energy: 1.6429476815945223
Energy: 1.6234764754722237
Energy: 1.5963757210070566
Energy: 1.4984835048550034
Energy: 1.4994614121083163
Energy: 1.6312447488798796
Energy: 1.5839957078542783
Energy: 1.5826276996997732
Energy: 1.6739471377633197
Energy: 1.631941220711252
Energy: 1.7228948323969313
Energy: 1.5487424753813022
Energy: 1.656492636151843
Energy: 1.6034579585789208
Energy: 1.5846158279483147
Energy: 1.6610437887422873
Energy: 1.797379278490703
Energy: 1.7986446069400368
Energy: 1.6049532407064513
Energy: 1.608812216803913
Energy: 1.5479928772758593
Energy: 1.7764518561677305
Energy: 1.6240643212226262
Energy: 1.6521532346571848
Energy: 1.6870799449932723
Energy: 1.562360874239273
Energy: 1.6286623946175358
Energy: 1.7561804912820982
Energy: 1.7940260097522136
Energy: 1.9294209381915315
Energy: 1.8706175980940878
Energy: 1.613131059533563
Energy: 1.832324906880224
Energy: 1.756292334367071
Energy: 1.65858415658217
Energy: 1.7300877876176235
Energy: 1.7780280712603769
Energy: 1.8608526819161766
Energy: 1.5003495411212502
Energy: 1.500281975519435
Energy: 1.783805233694848
Energy: 1.5069655224641743
Energy: 1.6915036565447559
Energy: 1.6023325568716398
Energy: 1.6780982110093352
Energy: 1.6138940086278744
Energy: 1.8320970780941932
Energy: 1.787455921444177

minimum gb energy = 1.4979945277220552 eV
minimum distance =  2.36957331136381 Angstroms
sigma value = 113


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

Energy: 1.8297731292778783
Energy: 2.0537638079351663
Energy: 1.8627466599717264
Energy: 1.916799162450096
Energy: 1.8579192080845086
Energy: 1.922287908590001
Energy: 1.9741310813727178
Energy: 1.911191952834887
Energy: 2.026369398959032
Energy: 2.0390382577418418
Energy: 2.0901326216735807
Energy: 2.0161941992011227
Energy: 2.0165131458702046
Energy: 2.027094681400236
Energy: 1.97272288883479
Energy: 1.9554917150905893
Energy: 1.9508180340774903
Energy: 1.9826703812957602
Energy: 1.9008064757172651
Energy: 1.7610381003334414
Energy: 1.8051789771730173
Energy: 1.597402582351057
Energy: 2.0798211553255204
Energy: 1.8926688597999628
Energy: 1.7965040673624164
Energy: 1.8553104009641663
Energy: 1.9287214136408408
Energy: 1.8734013301266363
Energy: 1.7783638129462558
Energy: 2.023049487862289
Energy: 1.8991513088033016
Energy: 1.8666792740275242
Energy: 1.9470420376189936
Energy: 1.9160851892278725
Energy: 1.8946981047151508
Energy: 1.722834499644558
Energy: 1.8055363378542946
Energy: 1.8510690166480648
Energy: 1.8494565491617725
Energy: 1.7004437291512982
Energy: 1.756018112191358
Energy: 1.8291329306685358
Energy: 1.9336384179322297
Energy: 1.8321408297295882
Energy: 1.7477948629880442
Energy: 1.6974515181943888
Energy: 1.836871179614016
Energy: 1.8138053983663633
Energy: 1.8400471480414127
Energy: 1.729646616261815
Energy: 1.698077665166266
Energy: 1.752076234676604
Energy: 1.936772349595673
Energy: 1.8466541941054708
Energy: 1.8319810562513816
Energy: 1.7678825661729443
Energy: 1.6783864694092512
Energy: 1.7586203162735368
Energy: 1.9011507539412278
Energy: 1.6706920915491752
Energy: 1.6305641307913077
Energy: 1.8007273300416462
Energy: 1.899715453020288
Energy: 1.8449732943310755
Energy: 1.7930326601535624
Energy: 1.862321516824844
Energy: 1.6536758728121577
Energy: 1.668192850778259
Energy: 1.7869121047654095
Energy: 1.7814817549758917
Energy: 1.8462483133929326
Energy: 1.7080784431408258
Energy: 1.7785079035062634
Energy: 1.7193819743584897
Energy: 1.7055391640503335
Energy: 1.816244838148629
Energy: 1.800326080828764
Energy: 1.651335150767082
Energy: 1.7952741942477621
Energy: 1.8975788933074207
Energy: 1.7629687679038035
Energy: 1.762743297949327
Energy: 1.885284242452736
Energy: 1.763629748492848
Energy: 1.8412342523207395
Energy: 1.6651544383049521
Energy: 1.78091599612324
Energy: 1.8735295218194135
Energy: 1.881138932683073
Energy: 1.7547925161435876
Energy: 1.7346989105007744
Energy: 1.9019475909995698
Energy: 1.7577487308384923
Energy: 1.968504524942859
Energy: 1.6949062816698903
Energy: 1.716046081583139
Energy: 1.7052706704778926
Energy: 1.894740603899527
Energy: 1.6905227432201406
Energy: 1.856140064252451
Energy: 1.799680471286326
Energy: 1.6825515241654787
Energy: 1.657730637796839
Energy: 1.7400261579648582
Energy: 1.8220557753526654
Energy: 1.8339786714214426
Energy: 1.8397531074439029
Energy: 1.7942505759154026
Energy: 1.8662764259723807
Energy: 1.808367983123745
Energy: 1.9222261205526943
Energy: 1.8736613101674395
Energy: 1.8055855054913832
Energy: 1.8992350434505716
Energy: 1.8105868364323963
Energy: 1.8720808434706728
Energy: 1.8960621222338747
Energy: 1.8955065464103669
Energy: 2.0454671112342306
Energy: 1.8028720381132057
Energy: 1.8617075172021993
Energy: 1.8529296725924795
Energy: 1.8970131304473143
Energy: 1.7992631038046323
Energy: 1.75546214678358
Energy: 1.8727121794847952
Energy: 1.9079751036749715
Energy: 2.0507073966754668
Energy: 1.9796136428117188
Energy: 1.8658207206680268
Energy: 2.026719201895756
Energy: 2.044731781578693
Energy: 1.8928017265845833
Energy: 1.9117592104756171
Energy: 2.002362247680447
Energy: 1.8441277563072167
Energy: 1.8418516268028335
Energy: 1.8369397987230194
Energy: 1.9203619081716856
Energy: 1.9804774725151464
Energy: 1.9673098362161878
Energy: 1.9427201815214437
Energy: 1.7642675915902923
Energy: 1.9159359161812108
Energy: 1.8757392410896316
Energy: 1.824838721310345
Energy: 1.8239173296808322
Energy: 1.9671430045453924
Energy: 1.9259952708576573
Energy: 1.8811033021259216
Energy: 1.9432764119297234
Energy: 1.9169664702595173
Energy: 1.8349638644437851
Energy: 2.0280858427697708
Energy: 1.8567142785815522
Energy: 1.9686319798249858
Energy: 1.8656185189496415
Energy: 1.9626392137474786
Energy: 1.8437121898422788
Energy: 1.9128766382950335
Energy: 1.9738105337552634
Energy: 1.9854413741567336
Energy: 2.0343680883948716
Energy: 1.9495307287895844
Energy: 2.0749815475211535
Energy: 2.0296443301745133
Energy: 2.018780984242289
Energy: 2.0516489219606413
Energy: 1.8145699309941294
Energy: 1.8630396382695387
Energy: 1.9577168112834036
Energy: 1.982722806973204
Energy: 1.8031109375620125
Energy: 1.9141944974731566
Energy: 1.7860807847053202
Energy: 1.6032183591398355
Energy: 2.0741142371027945
Energy: 1.8931356085023583
Energy: 1.8539321051217266
Energy: 1.9169992990441374
Energy: 1.9317247938862268
Energy: 1.8724752770507975
Energy: 1.9115365339536257
Energy: 2.0243136533418093
Energy: 1.9443746641542
Energy: 1.8652358209266369
Energy: 1.892395471919876
Energy: 1.9112519211178682
Energy: 1.8960170328181893
Energy: 1.732355479546571
Energy: 1.8090936118906098
Energy: 1.7992244043132686
Energy: 1.847395048570298
Energy: 1.704709818705957
Energy: 1.7927589918050233
Energy: 1.8321500389442729
Energy: 1.9352443336251839
Energy: 1.8717070980635069
Energy: 1.804017243885188
Energy: 1.8746801480956699
Energy: 1.8505505274753662
Energy: 1.8318192201748134
Energy: 1.9987539256441187
Energy: 1.7256056292436388
Energy: 1.696062988476225
Energy: 1.7672011983560552
Energy: 1.935175705215493
Energy: 1.8455200863314265
Energy: 1.758050807991696
Energy: 1.7680459603895287
Energy: 1.5947212321890565
Energy: 1.7609117982687252
Energy: 1.880634181977282
Energy: 1.6621149485888371
Energy: 1.6294301268373166
Energy: 1.8877987682447521
Energy: 1.901680775852503
Energy: 1.8079782396740476
Energy: 1.8699164420015002
Energy: 1.8618087724257282
Energy: 1.6776798422976282
Energy: 1.6743613421221404
Energy: 1.8359301811748987
Energy: 1.7638765339339606
Energy: 1.8485576436246283
Energy: 1.7095601079052414
Energy: 1.7434453425216887
Energy: 1.7105450508052074
Energy: 1.723073121817837
Energy: 1.820858981925885
Energy: 1.8068223205849698
Energy: 1.6252729345557213
Energy: 1.7983006832819757
Energy: 1.9227250792803408
Energy: 1.7694599292609452
Energy: 1.8333655362786416
Energy: 1.884719472997273
Energy: 1.9354672775808237
Energy: 1.7304805746635585
Energy: 1.6651113637292159
Energy: 1.772672780415859
Energy: 1.8717264958101878
Energy: 1.857749120937741
Energy: 1.6941413489244521
Energy: 1.7343564451036746
Energy: 1.8896518919661724
Energy: 1.7619653733114435
Energy: 1.7439348612840828
Energy: 1.6970761549250857
Energy: 1.7142788131640152
Energy: 1.7068019595939943
Energy: 1.8925708652169349
Energy: 1.6915748771254993
Energy: 1.8560269459603245
Energy: 1.7934782586492175
Energy: 1.6809443731915548
Energy: 1.656351858469494
Energy: 1.830577271051681
Energy: 1.7669869891982652
Energy: 1.8331649542416621
Energy: 1.8430536974278462
Energy: 1.811345690594358
Energy: 1.7968871772301758
Energy: 1.8574384879055585
Energy: 1.9235522344991587
Energy: 1.876025165966941
Energy: 1.6985320100405312
Energy: 2.04111819712362
Energy: 1.8137986245267794
Energy: 1.84857967066441
Energy: 1.8930676521064442
Energy: 1.8325979023726093
Energy: 2.0430286089881293
Energy: 1.8013341397861922
Energy: 1.860409341881211
Energy: 1.853020636179534
Energy: 1.8942980744714306
Energy: 1.899278074594474
Energy: 1.755987546293968
Energy: 1.869329888956257
Energy: 1.9014029506758083
Energy: 1.9209666012410203
Energy: 2.0031974380582
Energy: 1.8681262206395162
Energy: 2.018300780576436
Energy: 1.8690842742794374
Energy: 1.8943999819020756
Energy: 1.9107661734601753
Energy: 1.9885337198137045
Energy: 1.8431180699257566
Energy: 1.9256078124613618
Energy: 1.8376525848914014
Energy: 1.9287905941368975
Energy: 1.984685965146351
Energy: 1.832065336018521
Energy: 1.9480999582645433
Energy: 1.8041096870159508
Energy: 1.9441717193326784
Energy: 1.9170984561298998
Energy: 1.8226756807796436
Energy: 1.8224602409961854
Energy: 1.9774737683096584
Energy: 1.9255514012133452
Energy: 1.8805571589997698
Energy: 1.9139470902289206
Energy: 1.875779296921343
Energy: 1.8376125051408176
Energy: 2.0452750948484817
Energy: 1.8520895306601979
Energy: 1.9675802204480124
Energy: 1.839127878668347
Energy: 1.8456932354181654
Energy: 1.8437372002741461
Energy: 1.928352306065377
Energy: 1.9738074961275573

minimum gb energy = 1.5947212321890565 eV
minimum distance =  2.32435653425351 Angstroms
sigma value = 365


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

Energy: 1.720527104472138
Energy: 1.7251964610895512
Energy: 1.6978708772429079
Energy: 1.7111074709437193
Energy: 1.708446697265545
Energy: 1.6984227431623067
Energy: 1.723193128980002
Energy: 1.5633915806297651
Energy: 2.029293043267929
Energy: 1.7538201887950162
Energy: 1.7042900985745701
Energy: 1.7027678210322328
Energy: 1.70424140259879
Energy: 2.0275715024529233
Energy: 1.7628998686535906
Energy: 1.9546711901932508
Energy: 1.6911227300124436
Energy: 1.7126940652362153
Energy: 1.712253315647446
Energy: 1.6945246879880471
Energy: 1.7131446704007938
Energy: 1.7376742051791838
Energy: 1.9559994091543162
Energy: 1.692628359395132
Energy: 1.714283865894072
Energy: 1.7140865515544308
Energy: 1.6964708364293632
Energy: 1.7161511181002127
Energy: 1.5635183399647155
Energy: 2.029523296791647
Energy: 1.56429643682275
Energy: 2.046453005627892
Energy: 1.7060842954375477
Energy: 1.5621170571642724
Energy: 2.0271673668330337
Energy: 1.7222996275034224
Energy: 1.9670296399231506
Energy: 1.699465166059918
Energy: 1.7113414279803765
Energy: 1.7079762872799575
Energy: 1.7001976954785905
Energy: 1.7206880051567797
Energy: 1.7494097187786946
Energy: 1.9612107798040557
Energy: 1.7539756014739876
Energy: 1.7056683691792567
Energy: 1.7054305732424675
Energy: 1.70318720831207
Energy: 2.02254278083678
Energy: 1.7473785261739845
Energy: 1.9560097601595152
Energy: 1.6912096221124837
Energy: 1.714195646615761
Energy: 1.710521238123933
Energy: 1.69493018481144
Energy: 1.9582015092928466
Energy: 1.7250435231696095
Energy: 1.960058188122527
Energy: 1.6998553469655178
Energy: 1.7130590111919308
Energy: 1.7123065761140397
Energy: 1.7013540708804076
Energy: 1.7185370662801034
Energy: 1.5633733942928518
Energy: 2.030642721510199
Energy: 1.5649563096586985
Energy: 1.9987752278555968
Energy: 2.0177574125069437
Energy: 1.562423858543197
Energy: 2.0290394009937556
Energy: 1.7286434469413356
Energy: 1.958627548442146
Energy: 1.7001693210108706
Energy: 1.7136622035111002
Energy: 1.7107134469105143
Energy: 1.7031598814021986
Energy: 1.7179850636940428
Energy: 1.745236839215674
Energy: 1.957788724781189
Energy: 1.6907078337071022
Energy: 1.7123917574246772
Energy: 1.7113330860183167
Energy: 1.6962717801400222
Energy: 1.9637035449453435
Energy: 1.7510750682532856
Energy: 1.9530857017708467
Energy: 1.7585138186175255
Energy: 1.704968838096882
Energy: 1.7043578852372652
Energy: 1.7036458334688656
Energy: 2.019254444106979
Energy: 1.720728415714785
Energy: 1.9691337785150753
Energy: 1.6971955780367758
Energy: 1.7131112875483956
Energy: 1.7079229991483103
Energy: 1.700005354279698
Energy: 1.7235590446105116
Energy: 1.563385326510642
Energy: 2.0287729733963626
Energy: 1.5638801646116995
Energy: 1.7056558604355143
Energy: 1.7035259639169391
Energy: 1.7044600819756515
Energy: 2.027265672676826
Energy: 1.7424879379055844
Energy: 1.956092817092044
Energy: 1.6934838936770236
Energy: 1.7147373017088732
Energy: 1.7134548504388516
Energy: 1.6948863465386867
Energy: 1.7164450137539147
Energy: 1.7460834236753864
Energy: 1.9555764769555373
Energy: 1.6924301781894555
Energy: 1.714579210424464
Energy: 1.7113018822903254
Energy: 1.6944257430400536
Energy: 1.7159899711033144
Energy: 1.5633366382170257
Energy: 2.0285437315393064
Energy: 1.7533309568819326
Energy: 1.7040743368006026
Energy: 1.7032141353519197
Energy: 1.7043043530856063
Energy: 1.9734614087096027
Energy: 1.7199752741726548
Energy: 1.9675919130997126
Energy: 1.6988900756570844
Energy: 1.7101200005523014
Energy: 1.7074098436676428
Energy: 1.7036567050807485
Energy: 1.722318295047507
Energy: 1.7525057429847573
Energy: 1.9568755025073543
Energy: 1.7604216107388262
Energy: 1.704370733860498
Energy: 1.7045855603092748
Energy: 1.701655787587472
Energy: 2.0281244850170177

minimum gb energy = 1.5621170571642724 eV
minimum distance =  2.33927995380279 Angstroms
sigma value = 23