Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6111526265740403
cohesive_energy=4.249969113925499
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 0.0, 2.3958628949509198e-20, 1.6376167811440797e-19, 3.1426854893573397e-19, 4.29412177091412e-19, 5.057478828183419e-19, 5.49174880482912e-19, 5.707706193325979e-19, 5.886909649838879e-19, 6.04470802652154e-19, 6.183312327128879e-19, 6.304533011257319e-19, 6.40986010317648e-19, 6.5005913659598985e-19, 6.577832301485039e-19, 6.642560237498639e-19, 6.69559228408404e-19, 6.73766544249288e-19, 6.76946864867778e-19, 6.791546642694299e-19, 6.80446018636434e-19, 6.808657889145419e-19, 6.804139751037539e-19, 6.789511878369119e-19, 6.76297983331008e-19, 6.722396699170859e-19, 6.66518297157072e-19, 6.588278493138719e-19, 6.48796621408398e-19, 6.3597600398313e-19, 6.198020308629e-19, 5.974965277643519e-19, 5.66596949201028e-19, 5.2637110045119e-19, 4.7639120035355995e-19, 4.1620223074408197e-19, 3.44854100878794e-19, 2.60491490215524e-19, 1.6014075892156799e-19, 3.9723406157415597e-20, -1.074007891365462e-19, -2.9355560941138197e-19, -5.31948277314144e-19, -8.45401318343172e-19, -1.375255550796678e-18, -2.13486832127232e-18, -3.08705791662486e-18, -4.28715230255622e-18, -6.108218308293299e-18, -9.038375067150539e-18, -1.40918644755153e-17, -2.34492969975606e-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: 0.02011883706554752
Energy: 0.7846931832584203
Energy: 1.3463615415753956
Energy: 1.3484845805054189
Energy: 1.4625716706045453
Energy: 0.4589338201793505
Energy: 0.020845911400564777
Energy: 0.5605902378578219
Energy: 1.143782464653877
Energy: 0.38913976565285757
Energy: 1.1356918875950748
Energy: 0.8026572963873135
Energy: 0.021584086615190075
Energy: 0.10970293139995733
Energy: 0.020480991734880643
Energy: 0.7749966705138026
Energy: 0.8345057646235248
Energy: 1.1335591271775327
Energy: 0.8004859996265743
Energy: 0.10608441893856871
Energy: 0.10954508303044225
Energy: 0.023326759641621047
Energy: 1.1176135540529213
Energy: 0.8348404906758858
Energy: 1.348049716183835
Energy: 1.4635223171851794
Energy: 0.10595789992485208
Energy: 0.02122165382234823
Energy: 0.6014197785161945
Energy: 1.2151072517673334
Energy: 0.39136215512888634
Energy: 1.0817771711655444
Energy: 0.9294410139945141
Energy: 0.021263005601213737
Energy: 0.11065158932898021
Energy: 0.020475445059457142
Energy: 0.7758906904840106
Energy: 0.8344277395362296
Energy: 0.9262656312503408
Energy: 0.7986661504343846
Energy: 0.10592470272152797
Energy: 0.10894503062269739

minimum gb energy = 0.02011883706554752 eV
minimum distance =  2.52967169158379 Angstroms
sigma value = 5


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

Energy: 1.5422803683875124
Energy: 1.7818086874329562
Energy: 1.7515539131130557
Energy: 1.9588427489619789
Energy: 1.8048631312615753
Energy: 1.7031399756572057
Energy: 1.7386949702609955
Energy: 1.3972272286506484
Energy: 1.6212973259567827
Energy: 1.6380369871323588
Energy: 1.7416547302424779
Energy: 1.7389044806154197
Energy: 1.6411870277990894
Energy: 1.6275782866090416
Energy: 1.7044182802483572
Energy: 1.6276103779296032
Energy: 1.6969486211128864
Energy: 1.6470776053761154
Energy: 1.663460175791802
Energy: 1.6281802997830839
Energy: 1.7007135027626252
Energy: 1.7553419941157302
Energy: 1.7703541809856957
Energy: 1.5638107148273073
Energy: 1.622753201815395
Energy: 1.6373530409517196
Energy: 1.6732611667087582
Energy: 1.772760041819136
Energy: 1.6669817034296073
Energy: 1.702681998396642
Energy: 1.5442344650006015
Energy: 1.5615682533377682
Energy: 1.5128619553060492
Energy: 1.6832524902305364
Energy: 1.7763687990260728
Energy: 1.6851019469056525
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Energy: 1.6030576192417316
Energy: 1.531526640756105
Energy: 1.4872833901145923
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Energy: 1.744920980177927
Energy: 1.7397847644749975
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Energy: 1.6313142216446022
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Energy: 1.681279583802622
Energy: 1.6597010616004588
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Energy: 1.5866280689155958
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Energy: 1.6869086593201958
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Energy: 1.6693093292921903
Energy: 1.6897662785584924
Energy: 1.6607068964760083
Energy: 1.6404503932757126
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Energy: 1.6197889450971146
Energy: 1.7719328339148004
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Energy: 1.6228341044751418
Energy: 1.6371045738585421
Energy: 1.6667799004708794
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Energy: 1.852225195629909
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Energy: 1.7936342366359748
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Energy: 1.522773541846435
Energy: 1.5685627117224539
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Energy: 1.7050394838076224
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Energy: 1.6658914630745716
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Energy: 1.6636885559708894
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Energy: 1.560649383483677
Energy: 1.5770690038341553
Energy: 1.628091631254398
Energy: 1.7108330829878073
Energy: 1.57634613998866
Energy: 1.6396544461308002
Energy: 1.6227774066515088
Energy: 1.5837289074958358
Energy: 1.5849958414449192
Energy: 1.7064289123850058
Energy: 1.7274052017074735
Energy: 1.762328294744697
Energy: 1.6554491648235197
Energy: 1.5375734568653037
Energy: 1.5590939137209052
Energy: 1.5671647018201111
Energy: 1.631420706097249
Energy: 1.8013557225660561
Energy: 1.7127063748331053
Energy: 1.6625122333140872
Energy: 1.5601608727649618
Energy: 1.5630968921744406
Energy: 1.5673843538606609
Energy: 1.6313057122312193
Energy: 1.6757196801427698
Energy: 1.697797208866122
Energy: 1.7577763802076833
Energy: 1.5899129708329067
Energy: 1.5859404409456208
Energy: 1.541509402289181
Energy: 1.6615357829302695
Energy: 1.7826377959574236
Energy: 1.466247396228579
Energy: 1.6387239517066963
Energy: 1.6864195938965967
Energy: 1.5953038898096001
Energy: 1.6007734924674428
Energy: 1.704213920476254
Energy: 1.6245823928812506
Energy: 1.6823996048075467
Energy: 1.6217415680196337
Energy: 1.7087531605225612
Energy: 1.7616385457005646
Energy: 1.732701365670055
Energy: 1.6251279340191525
Energy: 1.5722061276614885
Energy: 1.5150132055751373
Energy: 1.6233942167493904
Energy: 1.7648816444124669
Energy: 1.8594304579305934
Energy: 1.6416105483146919
Energy: 1.6488904962883972
Energy: 1.611972042264842
Energy: 1.5153798907249258
Energy: 1.6904281778240111
Energy: 1.7141175799582602
Energy: 1.7790030744248564
Energy: 1.7604981281346512
Energy: 1.65670786533045
Energy: 1.6445008537034982

minimum gb energy = 1.3972272286506484 eV
minimum distance =  2.22509665583388 Angstroms
sigma value = 401


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

Energy: 1.4065354179313008
Energy: 1.7077053131164164
Energy: 1.7606966150625973
Energy: 2.017583820032147
Energy: 1.7604834019885227
Energy: 1.643419381852799
Energy: 1.4436161081623502
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Energy: 1.7983412597357538
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Energy: 1.6215482390058502
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Energy: 1.7258703702109879
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Energy: 1.5353693132911113
Energy: 1.6964635664134402
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Energy: 1.7155965963943924
Energy: 1.569448297800577
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Energy: 1.4173777868815822
Energy: 1.5864536364398953
Energy: 1.7172543472030062
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Energy: 1.5845766914139863
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Energy: 1.4807109419080098
Energy: 1.5393715975320919
Energy: 1.6589809105562547
Energy: 1.8081023259051583
Energy: 1.7357556076916216
Energy: 1.4633922873771161
Energy: 1.476603007382014
Energy: 1.4794166273933496
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Energy: 1.6979536911017445
Energy: 1.582123027347842
Energy: 1.4892226930431343
Energy: 1.6425660990071986
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Energy: 1.7190496759447529
Energy: 1.7388820120867696
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Energy: 1.4510762929934153
Energy: 1.3733843714758294
Energy: 1.683393304060024
Energy: 1.7297914004007302
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Energy: 1.5685577089083291
Energy: 1.373931468251908
Energy: 1.4171002300734372
Energy: 1.6793886792250055
Energy: 1.7182829179611137
Energy: 2.1106542622873374
Energy: 1.7079357574447085
Energy: 1.5827917646683873
Energy: 1.493015709402527
Energy: 1.4451407954311246
Energy: 1.5095047531125294
Energy: 1.696735486713525
Energy: 2.108044961800115
Energy: 1.7586129781237834
Energy: 1.5585765401005034
Energy: 1.5150259662673662
Energy: 1.5165612758130147
Energy: 1.6032522083438203
Energy: 1.6812595566306487
Energy: 1.8913200681636813
Energy: 1.4800078917035726
Energy: 1.6738403533933102
Energy: 1.6753116815320725
Energy: 1.7644222315484104
Energy: 1.6103114766284297
Energy: 1.5907497412405223
Energy: 1.6112881952732445
Energy: 1.4764570502329009
Energy: 1.550189537751318
Energy: 1.723021568622183
Energy: 2.0273893644756793
Energy: 1.6747437114116597
Energy: 1.4469593083299903
Energy: 1.5005918083532124
Energy: 1.4806744561046454
Energy: 1.5156859606536177
Energy: 1.8595068072593959
Energy: 1.8438042459619972
Energy: 1.7584711217494555
Energy: 1.3679170912146428
Energy: 1.458851564330152
Energy: 1.412939050905153
Energy: 1.5569935834860031
Energy: 1.8248450691954132
Energy: 1.9359529242478606
Energy: 1.7481980070539336
Energy: 1.6852998925162057
Energy: 1.550887681290871
Energy: 1.4501763691514697
Energy: 1.6787773945614008
Energy: 1.5831226574159827
Energy: 1.7547092208669943
Energy: 1.806856288056583
Energy: 1.52004902096142
Energy: 1.5361053575533858
Energy: 1.643295798508778
Energy: 1.419566320320755
Energy: 1.5907784110014962
Energy: 1.5351101816489356
Energy: 1.6264756557200273
Energy: 1.6767768083267252
Energy: 1.75109050135131
Energy: 1.6076728638346736
Energy: 1.5722738691850369
Energy: 1.451858638012883
Energy: 1.4629101272026488
Energy: 1.5287059243571854
Energy: 1.8643954973630847
Energy: 1.7895478207395232
Energy: 1.6686632934333565
Energy: 1.81324554547287
Energy: 1.4481582024502881
Energy: 1.4023514534294632
Energy: 1.6780979357788148
Energy: 1.7654378194725429
Energy: 2.08216918264452
Energy: 1.7961641468713612
Energy: 1.5310076586828711
Energy: 1.5217102515620275
Energy: 1.4550188449956976
Energy: 1.5170579039136134
Energy: 1.7102408183070532
Energy: 1.795469611648401
Energy: 1.8104720722463592
Energy: 1.6573865256565454
Energy: 1.435343285300561
Energy: 1.5297579822082765
Energy: 1.6096704174991505
Energy: 1.6433353579664784
Energy: 1.8610880951888895
Energy: 1.4134173947906077
Energy: 1.704759385558562
Energy: 1.6779279248470305
Energy: 1.6818725389083118
Energy: 1.5951088453588256
Energy: 1.6651616925669908
Energy: 1.5876449537878015
Energy: 1.5107158879466993
Energy: 1.5114242344442739
Energy: 1.7183970715278793
Energy: 1.8645055121038319
Energy: 1.658535599771122
Energy: 1.5549502301546805
Energy: 1.5198858421465749
Energy: 1.472234432705027
Energy: 1.5266617748980935
Energy: 1.870657262666241
Energy: 1.8975781193470571
Energy: 1.9075188037738637
Energy: 1.5769788866857402
Energy: 1.4373922267002772

minimum gb energy = 1.3679170912146428 eV
minimum distance =  2.23517134187685 Angstroms
sigma value = 311


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

Energy: 1.6146775009738572
Energy: 1.8225716290208176
Energy: 1.615335399392774
Energy: 1.7510627202647793
Energy: 1.5863092237130914
Energy: 1.589882259064495
Energy: 1.6587086755569984
Energy: 1.590776660369711
Energy: 1.574117533271892
Energy: 1.6018751539118505
Energy: 1.6089206588516902
Energy: 1.547046045995578
Energy: 1.667971577292014
Energy: 1.6591670360243096
Energy: 1.5983802003684207
Energy: 1.5606113791557799
Energy: 1.6462860777672592
Energy: 1.6033149759767606
Energy: 1.6100181394018687
Energy: 1.575771593854629
Energy: 1.535264252969425
Energy: 1.55759843554141
Energy: 1.6523509665469
Energy: 1.5558346202261553
Energy: 1.685491816680153
Energy: 1.5957628443074092
Energy: 1.5387595945789088
Energy: 1.638381142631095
Energy: 1.641455829081834
Energy: 1.6635500255099933
Energy: 1.604945196583436
Energy: 1.6248349585946664
Energy: 1.6689911330501996
Energy: 1.594893455857366
Energy: 1.5571226072043345
Energy: 1.6820924389414598
Energy: 1.5846636230727436
Energy: 1.6201733265750717
Energy: 1.5666876905800609
Energy: 1.5541336736506932
Energy: 1.6407582547472275
Energy: 1.43748337324083
Energy: 1.6102611842901549
Energy: 1.6183961850237099
Energy: 1.5869611502525665
Energy: 1.7246369019525978
Energy: 1.6928283537964381
Energy: 1.59230795141489
Energy: 1.6615689980624793
Energy: 1.5209468901396337
Energy: 1.5431822026872837
Energy: 1.584727488551143
Energy: 1.5874708430575863
Energy: 1.5506470479014953
Energy: 1.6637206187473657
Energy: 1.6465516517319259
Energy: 1.5845105578567453
Energy: 1.5834658121999645
Energy: 1.6338521911253616
Energy: 1.5598621627621372
Energy: 1.5943638791370376
Energy: 1.6155844102681471
Energy: 1.5224749487081866
Energy: 1.556652768956108
Energy: 1.55447459138302
Energy: 1.5486294124088227
Energy: 1.6989196062058243
Energy: 1.53802131276628
Energy: 1.5449489069798383
Energy: 1.5951869557623317
Energy: 1.6292636213783165
Energy: 1.6765065458641313
Energy: 1.5915950436662967
Energy: 1.6568193983994506
Energy: 1.6354818260949926
Energy: 1.635318555376056
Energy: 1.6018786195742354
Energy: 1.609650433369128
Energy: 1.5917626615927192
Energy: 1.6210990395214604
Energy: 1.5776246635322713
Energy: 1.5918553490919112
Energy: 1.645860943240489
Energy: 1.4242881403489764
Energy: 1.6307115475632479
Energy: 1.6270230458349535
Energy: 1.6135639939153537
Energy: 1.6561050211889017
Energy: 1.6440203239728264
Energy: 1.599803051576193
Energy: 1.6576995836399306
Energy: 1.5171390423609388
Energy: 1.5203251884075832
Energy: 1.552442232597394
Energy: 1.5897993927988148
Energy: 1.555861465755431
Energy: 1.6266796960810632
Energy: 1.616008620393046
Energy: 1.5711833081208102
Energy: 1.5201648743800573
Energy: 1.5693579938491498
Energy: 1.5723557246991473
Energy: 1.6262539310341109
Energy: 1.6070228246119516
Energy: 1.4758969746150514
Energy: 1.5544015579300032
Energy: 1.5826554613075048
Energy: 1.5630360006383295
Energy: 1.6043216146836805
Energy: 1.5163130771811135
Energy: 1.6020319622871966
Energy: 1.5058461385391542
Energy: 1.626505296070852
Energy: 1.6855036159324814
Energy: 1.6236586793433094
Energy: 1.6554283029273225
Energy: 1.6091636095240547
Energy: 1.6377922243238392
Energy: 1.5925435135421306
Energy: 1.6516351066226869
Energy: 1.549530053863128
Energy: 1.7315132828097781
Energy: 1.5151025103238496
Energy: 1.5792432339279203
Energy: 1.6568754361863465
Energy: 1.511302159447605
Energy: 1.6373336424445226
Energy: 1.65866010659596
Energy: 1.5900704927453924
Energy: 1.6011698097731721
Energy: 1.657360512006942
Energy: 1.600449624934078
Energy: 1.5957987812151393
Energy: 1.5071984066694075
Energy: 1.5879653390513166
Energy: 1.5437302094535896
Energy: 1.5872456177145373
Energy: 1.5630577709614826
Energy: 1.6533678515325199
Energy: 1.6230878039420866
Energy: 1.6063696326790735
Energy: 1.5103982325633825
Energy: 1.573125347961158
Energy: 1.5784020870956308
Energy: 1.6064325906675199
Energy: 1.5553402547613508
Energy: 1.4782434449979958
Energy: 1.5073490865110308
Energy: 1.6214786822981917
Energy: 1.6900760755474717
Energy: 1.6347666175588995
Energy: 1.5419499179352305
Energy: 1.605739802780208
Energy: 1.4974217132012373
Energy: 1.586621201905691
Energy: 1.8649685154148854
Energy: 1.6170596761884173
Energy: 1.6567392191027435
Energy: 1.6419678767076316
Energy: 1.6494045678751463
Energy: 1.7521372590346571
Energy: 1.639365360656033
Energy: 1.5380573151105756
Energy: 1.7177529427306728
Energy: 1.5193808968441647
Energy: 1.5744288860334594
Energy: 1.638003855606219
Energy: 1.5104859152108314
Energy: 1.6310555447960626
Energy: 1.5242618368976255
Energy: 1.6184897340084938
Energy: 1.4611604945119203
Energy: 1.6552007297747724
Energy: 1.6098479594507604
Energy: 1.5845979658597056
Energy: 1.5046298991045992
Energy: 1.6124656448494226
Energy: 1.5524501708934173
Energy: 1.6025928890714176
Energy: 1.575990693377967
Energy: 1.5958792432224334
Energy: 1.6124988086260479
Energy: 1.61009254076684
Energy: 1.5166333716318925
Energy: 1.5992864820638515
Energy: 1.617216990121322
Energy: 1.6108292629542549
Energy: 1.577140578651467
Energy: 1.5292610168295475
Energy: 1.624668775610867
Energy: 1.5749378144557253
Energy: 1.6352825266874789
Energy: 1.6199375673570993
Energy: 1.5409775263142724
Energy: 1.6053569256006326
Energy: 1.5486779072074222
Energy: 1.5863825437491106
Energy: 1.7313015568525119
Energy: 1.5901753851082532
Energy: 1.681379403311295
Energy: 1.6205548376966656
Energy: 1.6431374146677264
Energy: 1.6192457379970766
Energy: 1.6414006452524341
Energy: 1.5313261683457018
Energy: 1.639836496542663
Energy: 1.5078463398651496
Energy: 1.585111812076008
Energy: 1.611539519492805
Energy: 1.6531765203527637
Energy: 1.6378865311648134
Energy: 1.5123034553074475
Energy: 1.6740605784723313
Energy: 1.4785861894003047
Energy: 1.6667608481350182
Energy: 1.6642317009321899
Energy: 1.5052795676832855
Energy: 1.516244668535946
Energy: 1.601291906154385
Energy: 1.5597948653214817
Energy: 1.5889692965450903
Energy: 1.575744259872488
Energy: 1.5889838069883198
Energy: 1.5421114941377845
Energy: 1.5525663104421765
Energy: 1.5407137015182806
Energy: 1.586200535904818
Energy: 1.6345254485183702
Energy: 1.641594821450745
Energy: 1.5983001097967189
Energy: 1.563769730804965
Energy: 1.6171342991947668
Energy: 1.5963103474864957
Energy: 1.599525791901623
Energy: 1.6114796734522654
Energy: 1.5669736733312052
Energy: 1.5890148210362038
Energy: 1.4923711507379085
Energy: 1.5729594075150537
Energy: 1.7073367457991369
Energy: 1.5950479202748082
Energy: 1.6715323653804455
Energy: 1.620863465489271
Energy: 1.6490072800612652
Energy: 1.6245056024821494
Energy: 1.6453730320669826
Energy: 1.6848790295833282
Energy: 1.6258768349390116
Energy: 1.7318873873992373
Energy: 1.671636704376684
Energy: 1.6041693534394132
Energy: 1.695165571931122

minimum gb energy = 1.4242881403489764 eV
minimum distance =  2.24224875009433 Angstroms
sigma value = 39


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

Energy: 1.3497839486103829
Energy: 1.51080932725526
Energy: 1.747818434869412
Energy: 1.789787031617241
Energy: 1.6540751603700807
Energy: 1.6604050040560656
Energy: 1.3560797730239633
Energy: 1.378132478396686
Energy: 1.4163966476885854
Energy: 1.7639990911810899
Energy: 1.5157323091598434
Energy: 1.439671687102668
Energy: 1.4321178011363362
Energy: 1.600898620424452
Energy: 2.086629088777979
Energy: 1.4182136079525491
Energy: 1.586172888642897
Energy: 1.4721227212241261
Energy: 1.4734230661650547
Energy: 1.5228704163310187
Energy: 1.5792872593745362
Energy: 1.4277308585892374
Energy: 1.5183540175351522
Energy: 1.5334121125596467
Energy: 1.4652505182189823
Energy: 1.5198864520410433
Energy: 1.533912796073387
Energy: 1.563207643947831
Energy: 1.4454679392953365
Energy: 1.4036145942134006
Energy: 1.5311678952210512
Energy: 1.476303999630286
Energy: 1.7270617705005098
Energy: 1.8641203636627206
Energy: 1.4647439204871249
Energy: 1.372804053517492
Energy: 1.582904374782287
Energy: 1.8106059848299625
Energy: 1.953297267399882
Energy: 1.425276001259771
Energy: 1.4190599565822841
Energy: 1.5932543430529045
Energy: 1.6960309266524272
Energy: 1.4875412946408244
Energy: 1.8647402029849727
Energy: 1.7445885280558509
Energy: 1.3740900409164916
Energy: 1.389876443556819
Energy: 1.5142192416556652
Energy: 1.353835545968945
Energy: 1.4216253882536163
Energy: 1.8055316274994835
Energy: 1.3866314496243553
Energy: 1.5273999572790598
Energy: 1.5785538524481835
Energy: 1.596856490708069
Energy: 1.3542236041569349
Energy: 1.4209290381383142
Energy: 1.7620864863412113
Energy: 1.4706118956801284
Energy: 1.5564367196858935
Energy: 1.568930188235274
Energy: 1.599108843677445
Energy: 1.71145156868145
Energy: 1.654422610098484
Energy: 1.6082822239168622
Energy: 1.4889229026918784
Energy: 1.4303785956869175
Energy: 1.5110446522406609
Energy: 1.6974702629660015
Energy: 1.4285570751941734
Energy: 1.3469819273914492
Energy: 1.4662768599450915
Energy: 1.605921705268519
Energy: 1.425195628435872
Energy: 1.4991357571545392
Energy: 1.5705153090219535
Energy: 1.430545062153951
Energy: 1.410800432664775
Energy: 1.5756091567135622
Energy: 1.5058131253585587
Energy: 1.7748968561200418
Energy: 1.708254292479455
Energy: 1.6584088774977528
Energy: 1.3625110075895168
Energy: 1.391264234339218
Energy: 1.505954574102172
Energy: 1.4437430477114248
Energy: 1.534865245756184
Energy: 1.6595930880778718
Energy: 1.4585042683523886
Energy: 1.6999925358617414
Energy: 1.3935935620614928
Energy: 1.788198102730862
Energy: 1.7821543077455122
Energy: 1.3666171946183805
Energy: 1.3931238946401525
Energy: 1.6078493913062526
Energy: 1.3112175182497265
Energy: 1.5649912206558896
Energy: 1.801299934999671
Energy: 1.7920363318327646
Energy: 1.3701375186070455
Energy: 1.335637019213148
Energy: 1.59155047960007
Energy: 1.347434560711663
Energy: 1.660860671302103
Energy: 1.7475183178290663
Energy: 1.786307744520644
Energy: 1.6349211053780266
Energy: 1.6625002615815172
Energy: 1.3679642326745416
Energy: 1.4318045030454931
Energy: 1.4142385398497883
Energy: 1.743388722058972
Energy: 1.51519835025984
Energy: 1.4416514824926074
Energy: 1.435067421450271
Energy: 1.5981849993648587
Energy: 2.2880318632762315
Energy: 1.417244519203164
Energy: 1.5874952217181189
Energy: 1.4653566350995686
Energy: 1.4785022767761777
Energy: 1.5240335477052707
Energy: 1.63019130746321
Energy: 1.4195458564114345
Energy: 1.6521528942490855
Energy: 1.5182464301892826
Energy: 1.4651087481088074
Energy: 1.5424383414970153
Energy: 1.5340721022226806
Energy: 1.5635507697375859
Energy: 1.445290471693689
Energy: 1.4030136230415418
Energy: 1.5317616250164545
Energy: 1.4764278921388339
Energy: 1.6816391325715752
Energy: 1.8646013461685478
Energy: 1.4639354166748202
Energy: 1.3727549512883457
Energy: 1.5833170510576637
Energy: 1.8009309209449849
Energy: 1.9568431047891095
Energy: 1.4291321667656576
Energy: 1.3385262515822554
Energy: 1.5930242954924696
Energy: 1.69181331410747
Energy: 1.4435957904189882
Energy: 1.8650846888004637
Energy: 1.7739211503054813
Energy: 1.3705733820948676
Energy: 1.3789735817663153
Energy: 1.7169634114650894
Energy: 1.3530947644006321
Energy: 1.4393133887435519
Energy: 1.8054522300389293
Energy: 1.3868329221707656
Energy: 1.5285255523136096
Energy: 1.5789672106201496
Energy: 1.5966050778718706
Energy: 1.3530788490218681
Energy: 1.4399398514919222
Energy: 1.7617710552069386
Energy: 1.452811396273677
Energy: 1.556105713500213
Energy: 1.563617615839209
Energy: 1.5992288880077783
Energy: 1.7116895876458125
Energy: 1.6541419554271737
Energy: 1.6080449649176014
Energy: 1.4885611432829322
Energy: 1.4302267909577613
Energy: 1.5100648358430862
Energy: 1.6508818508936505
Energy: 1.4278342104532409
Energy: 1.3773696174730556
Energy: 1.4662072945679006
Energy: 1.6063408116812243
Energy: 1.4254322263905166
Energy: 1.5514882762018714
Energy: 1.5672349716657175
Energy: 1.4321796200063663
Energy: 1.422321110433782
Energy: 1.639814462765644
Energy: 1.5026650615018355
Energy: 1.7748492047828088
Energy: 1.708544689104887
Energy: 1.5562967615920875
Energy: 1.363728808078001
Energy: 1.3931103239485079
Energy: 1.5868200722250236
Energy: 1.4407569605747272
Energy: 1.5148903239877156
Energy: 1.5172693851090142
Energy: 1.458309007169582
Energy: 1.6818501811857256
Energy: 1.783701889428894
Energy: 1.7855356126126396
Energy: 1.781750160772709
Energy: 1.3723281634075482
Energy: 1.3805646129674174
Energy: 1.6070289303252947
Energy: 1.3076782613270008
Energy: 1.568079744978203
Energy: 1.8159652066434144
Energy: 1.6427316989718788
Energy: 1.3702415893634023
Energy: 1.3269827909317844
Energy: 1.5921851088924193

minimum gb energy = 1.3076782613270008 eV
minimum distance =  2.24410622533037 Angstroms
sigma value = 21


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

Energy: 1.619629596066728
Energy: 1.7523952278240855
Energy: 1.7512009058441844
Energy: 1.8785981778087588
Energy: 1.6322790202026454
Energy: 1.62490043485229
Energy: 1.6430809294759645
Energy: 1.6989170934099795
Energy: 1.908018046675686
Energy: 1.7956118999426005
Energy: 1.7530906059801896
Energy: 1.6737034086795783
Energy: 1.7001373862026734
Energy: 1.7484417730901782
Energy: 1.8690442995764498
Energy: 1.4598012239822669
Energy: 1.6223181751865507
Energy: 1.6682419400607196
Energy: 1.6633627287552704
Energy: 1.658635260419885
Energy: 1.667874343812388
Energy: 1.72931758512913
Energy: 1.6355931227800373
Energy: 1.540143866099661
Energy: 1.726675973605661
Energy: 1.5443013322511456
Energy: 1.4750494771894689
Energy: 1.7039394261375496
Energy: 1.5598617827875914
Energy: 1.5150861012672299
Energy: 1.60270405146647
Energy: 1.5607239927323944
Energy: 1.6567895500473537
Energy: 1.678866527054872
Energy: 1.596786353149041
Energy: 1.4872195254854228
Energy: 1.471403634193055
Energy: 1.6101838818678202
Energy: 1.6846607981543789
Energy: 1.6459379573236388
Energy: 1.7200270843238448
Energy: 1.552070859223616
Energy: 1.825802826031065
Energy: 1.8260941290049648
Energy: 1.4706878102955858
Energy: 1.5608467617589914
Energy: 1.3831743454449796
Energy: 1.3822242761256742
Energy: 1.6213231299942648
Energy: 1.58443962864947
Energy: 1.524542908340985
Energy: 1.6362574405427766
Energy: 1.6789133522833124
Energy: 1.6711172424952412
Energy: 1.596615920506677
Energy: 1.6396303605852875
Energy: 1.5985378903047858
Energy: 1.6176986312657544
Energy: 1.631828584956271
Energy: 1.7253942186617506
Energy: 1.6504696553765177
Energy: 1.8084940490071069
Energy: 1.7590871844266434
Energy: 1.6686208168653973
Energy: 1.6973518176819895
Energy: 1.5573080973396092
Energy: 1.5904758807028891
Energy: 1.6319814397531227
Energy: 1.6945321904841055
Energy: 1.7106258417489963
Energy: 1.6620413586840908
Energy: 1.7621864217190435
Energy: 1.483831943924354
Energy: 1.929589954902438
Energy: 1.648518668257376
Energy: 1.6736140561317734
Energy: 1.7308492746657438
Energy: 1.7173500509707726
Energy: 1.7671157781590598
Energy: 1.584519790137046
Energy: 1.8807769226112143
Energy: 1.6668915435828078
Energy: 1.624448744337436
Energy: 1.8162211031090532
Energy: 1.6160785362012473
Energy: 1.8937307612701786
Energy: 1.75186090202608
Energy: 1.6190508378112853
Energy: 1.6103648601591969
Energy: 1.582417923425191
Energy: 1.6864862997863166
Energy: 1.6084194450224982
Energy: 1.7001174903635574
Energy: 1.9085971561972697
Energy: 1.6323303039198989
Energy: 1.7212723939476249
Energy: 1.6781177376341014
Energy: 1.778370071200907
Energy: 1.6889534770049266
Energy: 1.609059354681202
Energy: 1.5827375039843707
Energy: 1.655150626915483
Energy: 1.6581188803593618
Energy: 1.6859624206844965
Energy: 1.808860099183943
Energy: 1.8698616650310436
Energy: 1.6883327540571937
Energy: 1.5539055468031688
Energy: 1.6341402593774517
Energy: 1.5449035784548255
Energy: 1.6066002754553685
Energy: 1.8119464115034152
Energy: 1.6617502896630165
Energy: 1.6010021562795431
Energy: 1.5144531134733108
Energy: 1.6336440879130698
Energy: 1.4935915650897782
Energy: 1.6133732328398105
Energy: 1.6141551559103138
Energy: 1.4655873301206677
Energy: 1.423212128246231
Energy: 1.666580414084212
Energy: 1.8052212305673063
Energy: 1.6733552952308979
Energy: 1.7917236287668301
Energy: 1.6385030071226727
Energy: 1.7354282423887162
Energy: 1.6667471854659066
Energy: 1.667244818220662
Energy: 1.458513506551015
Energy: 1.4715728862280912
Energy: 1.3755429723671488
Energy: 1.6224156593096877
Energy: 1.835567627542066
Energy: 1.6580390092647301
Energy: 1.545620401419409
Energy: 1.5601945679292801
Energy: 1.4786290846984402
Energy: 1.4537350376931062
Energy: 1.676293272892788
Energy: 1.5530730846376684
Energy: 1.7364616055619044
Energy: 1.6581338763794582
Energy: 1.777924742435265
Energy: 1.6923459177879707
Energy: 1.7819647091534467
Energy: 1.834005545075244
Energy: 1.6742237506925703
Energy: 1.717645672961346
Energy: 1.5422341445360332
Energy: 1.54951074216203
Energy: 1.701396749819002
Energy: 1.677946717851665
Energy: 1.718279778664705
Energy: 1.688974323145337
Energy: 1.7890109320887935
Energy: 1.7133603513449327
Energy: 1.7681006078517978
Energy: 1.6030038017886732
Energy: 1.6696485904875402
Energy: 1.8033268899497914
Energy: 1.728734431136635
Energy: 1.9043066158837505
Energy: 1.7235076375431317
Energy: 1.8678219988933955
Energy: 1.6434285591376683
Energy: 1.6385395900035427
Energy: 1.673457770796846
Energy: 1.605613975861935
Energy: 1.6893164499669886
Energy: 1.972184870665966
Energy: 1.7041277544661542
Energy: 1.5233635868117466
Energy: 1.6549407080276384
Energy: 1.8100022851962967

minimum gb energy = 1.3755429723671488 eV
minimum distance =  2.21017587952926 Angstroms
sigma value = 113


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

Energy: 1.5595954329193429
Energy: 2.0223523140254533
Energy: 1.7398904888352165
Energy: 1.7777085359956577
Energy: 1.787817537571781
Energy: 1.6672173375995982
Energy: 1.9076111781475267
Energy: 1.860733572407755
Energy: 1.851300704390669
Energy: 1.8353938790680457
Energy: 1.9041149774405433
Energy: 1.8208012577081063
Energy: 1.8140611401351183
Energy: 1.8656178861839476
Energy: 1.9139339852390125
Energy: 1.8014359794029484
Energy: 1.6210157341135454
Energy: 1.760760003015182
Energy: 1.7361773387824653
Energy: 1.612144478587463
Energy: 1.8932333195411606
Energy: 1.6581769169757519
Energy: 1.881977434227847
Energy: 1.6440224808542383
Energy: 1.7170657710153867
Energy: 1.7061738221603475
Energy: 1.6323344893025646
Energy: 1.9291979166593272
Energy: 1.613928936611437
Energy: 1.699318276681033
Energy: 1.6899112096318691
Energy: 1.5812573035801787
Energy: 1.6091497615482873
Energy: 1.7842906010624415
Energy: 1.6108530369904426
Energy: 1.4581656799829934
Energy: 1.7617117382732046
Energy: 1.6417872661138426
Energy: 1.766220947445604
Energy: 1.6799482279537001
Energy: 1.6161262460685366
Energy: 1.7316550419920422
Energy: 1.727985563489036
Energy: 1.7546213902260173
Energy: 1.7988500071337996
Energy: 1.4745169899308708
Energy: 1.5750317067845427
Energy: 1.7494202582672471
Energy: 1.7693858983213937
Energy: 1.8446734223349568
Energy: 1.5605255902918775
Energy: 1.707941917063379
Energy: 1.6988238680455825
Energy: 1.7185998068341317
Energy: 1.7210844730363708
Energy: 1.7221108249357362
Energy: 1.6216677194990483
Energy: 1.6391511467908289
Energy: 1.6750071956481025
Energy: 1.6978512843822922
Energy: 1.6076833720000288
Energy: 1.7045694817445172
Energy: 1.7259651662878626
Energy: 1.6124347849687153
Energy: 1.6691440847154515
Energy: 1.648154802757779
Energy: 1.6425298280852325
Energy: 1.8732961987041323
Energy: 1.7553551883616156
Energy: 1.669605514194262
Energy: 1.6271455155786128
Energy: 1.6551936182633114
Energy: 1.7332706675283707
Energy: 1.684929427153465
Energy: 1.672894640193194
Energy: 1.7072577455419609
Energy: 1.6645104003394198
Energy: 1.704100056739867
Energy: 1.5531113388369295
Energy: 1.6918255570343266
Energy: 1.616182684463984
Energy: 1.6269873148657656
Energy: 1.589549110948891
Energy: 1.7411585362434545
Energy: 1.7822401650044237
Energy: 1.6309605910582115
Energy: 1.6132255834552864
Energy: 1.7167431465860319
Energy: 1.6970288846776338
Energy: 1.6288526661129035
Energy: 1.5996895934823288
Energy: 1.6506016018593987
Energy: 1.736172301015084
Energy: 1.7139202289588409
Energy: 1.6503657575515018
Energy: 1.7217060259510488
Energy: 1.803626263130318
Energy: 1.7593537271718438
Energy: 1.5142183600086079
Energy: 1.7211358365748832
Energy: 1.6124409315521184
Energy: 1.7178706275230768
Energy: 1.718400885494927
Energy: 1.7099394172544489
Energy: 1.72880339997194
Energy: 1.6115732040784614
Energy: 1.578268122858271
Energy: 1.7937982472400178
Energy: 1.6756833057558376
Energy: 1.6872704256012936
Energy: 1.727613404665724
Energy: 1.6564840343265657
Energy: 1.736458992936527
Energy: 1.9568310632265415
Energy: 1.6636112505713991
Energy: 1.662095330771545
Energy: 1.6153927871305898
Energy: 1.6076800969178289
Energy: 1.5983066884015862
Energy: 1.5243661864415696
Energy: 1.7154232271399592
Energy: 1.5887207294140804
Energy: 1.721935387557327
Energy: 1.5888611587340977
Energy: 1.6298202705705984
Energy: 1.7815867437962432
Energy: 1.790519249532079
Energy: 1.7065388109793755
Energy: 1.746011780535311
Energy: 1.656403364404011
Energy: 1.8174385728053608
Energy: 1.8529667511287806
Energy: 1.7927983001855903
Energy: 1.6067507597122703
Energy: 1.9186389981421619
Energy: 1.648845835274718
Energy: 1.77440391859962
Energy: 1.7973119154286494
Energy: 1.709415733674497
Energy: 1.9176499301546097
Energy: 1.8061416429833266
Energy: 1.8056459753841665
Energy: 1.7177943164058584
Energy: 1.8838798784713124
Energy: 1.722475793839597
Energy: 1.5627535799226686
Energy: 1.9014214484118956
Energy: 1.8103402535817898
Energy: 1.861679455186172
Energy: 1.8306887260324114
Energy: 1.953781574504745
Energy: 1.765879523531868
Energy: 1.5694809702072847
Energy: 1.879893661090219
Energy: 1.5565051475878886
Energy: 2.0129086286724878
Energy: 1.7166360354435612
Energy: 1.7345646879621683
Energy: 1.802874681847735
Energy: 1.6821911287903952
Energy: 1.913133816945441
Energy: 1.8364157883387189
Energy: 1.8533949930207299
Energy: 1.813745390414124
Energy: 1.746429649353613
Energy: 1.795064633782689
Energy: 1.7901538050454235
Energy: 1.8455918957133473
Energy: 1.6139069719595978
Energy: 1.7396338674301266
Energy: 1.6331965481308952
Energy: 1.762688022680779
Energy: 1.6203431759814406
Energy: 1.6095465565796023
Energy: 1.8555621423149835
Energy: 1.684068020569475
Energy: 1.8172216342519278
Energy: 1.6406066378065596
Energy: 1.7119525483441174
Energy: 1.6892715332567108
Energy: 1.6222934637733355
Energy: 1.888345972234299
Energy: 1.6230714934541173
Energy: 1.668009343966889
Energy: 1.761280868278766
Energy: 1.6321118660871423
Energy: 1.6714320563781608
Energy: 1.829122827250563
Energy: 1.6459311652308337
Energy: 1.4658458765633424
Energy: 1.7571035213439146
Energy: 1.6534455595973825
Energy: 1.8195660470571147
Energy: 1.6987166130538918
Energy: 1.641297726314941
Energy: 1.7259440514186046
Energy: 1.722817445400092
Energy: 1.6367415322779222
Energy: 1.79885775702918
Energy: 1.568554710248793
Energy: 1.580391959485701
Energy: 1.7399958525033594
Energy: 1.6970048796685913
Energy: 1.9007335232615221
Energy: 1.5660205704894101
Energy: 1.6364866547392989
Energy: 1.729258487779011
Energy: 1.6946112816903636
Energy: 1.5999482303123609
Energy: 1.6741716108407416
Energy: 1.6132455869380042
Energy: 1.589721736111979
Energy: 1.6654676459403763
Energy: 1.761122243657212
Energy: 1.643966397570481
Energy: 1.6958126105575306
Energy: 1.666884657672547
Energy: 1.6734914276191792
Energy: 1.628415114547641
Energy: 1.6926092559336596
Energy: 1.6061864416719822
Energy: 1.7352975198225467
Energy: 1.772605135448447
Energy: 1.533373515329068
Energy: 1.6500799774776764
Energy: 1.6214665302555271
Energy: 1.7178155076327013
Energy: 1.765469436995939
Energy: 1.740279562103461
Energy: 1.7049083053474914
Energy: 1.6813802017213282
Energy: 1.7159238064802402
Energy: 1.5608435259709197
Energy: 1.6942832070258285
Energy: 1.6323847514059002
Energy: 1.6290379079335864
Energy: 1.5829416683001907
Energy: 1.7520071289361756
Energy: 1.8146237285947706
Energy: 1.5219987020664034
Energy: 1.6396017262932723
Energy: 1.7287862789465382
Energy: 1.6661901134322576
Energy: 1.682556192753212
Energy: 1.6334150216328587
Energy: 1.6508375352904439
Energy: 1.7063126220544558
Energy: 1.7527590008249119
Energy: 1.6975574691693402
Energy: 1.7364326461397273
Energy: 1.7982236647424346
Energy: 1.7659009750572299
Energy: 1.5087776700747393
Energy: 1.7961576767602987
Energy: 1.6197149267345423
Energy: 1.5855986183887416
Energy: 1.7438114757311534
Energy: 1.672105750747235
Energy: 1.690270798957014
Energy: 1.609795633510889
Energy: 1.564361664644163
Energy: 1.8173571561801287
Energy: 1.7176045225878072
Energy: 1.7387355753584546
Energy: 1.7532621742866528
Energy: 1.6334089790574196
Energy: 1.7008560290616674
Energy: 1.5131617483409479
Energy: 1.6639699178343725
Energy: 1.699167733670678
Energy: 1.6083111489234097
Energy: 1.5306374852959406
Energy: 1.8315136216834573
Energy: 1.5278728841613347
Energy: 1.7239572610505063
Energy: 1.6382957188788205
Energy: 1.7611819357427059
Energy: 1.7013030615625269
Energy: 1.6171026015080865
Energy: 1.7722972846742442
Energy: 1.7829440352881223
Energy: 1.7305741490689637
Energy: 1.7146350690332601
Energy: 1.7338947355080803
Energy: 1.7856433258487072
Energy: 1.8113904071767732
Energy: 1.7169106068363624
Energy: 1.5959673967390235
Energy: 1.9679387839218416
Energy: 1.6519741220239663
Energy: 1.7652143315520386
Energy: 1.7891518049772788
Energy: 1.7043393433526852
Energy: 1.9052994982280078
Energy: 1.8136110400525267
Energy: 1.8107740709821714
Energy: 1.7904729744893368
Energy: 1.923317176126371
Energy: 1.7665700495644763
Energy: 1.5565475213843194
Energy: 1.884633379692971
Energy: 1.7956519147354675
Energy: 1.8616912137075405
Energy: 1.7944767408151883
Energy: 1.8617480737606724
Energy: 1.7534337682964514
Energy: 1.5578410055847751
Energy: 1.8749600701497249
Energy: 1.5709276595562278
Energy: 1.9272342665395958
Energy: 1.731188167972864
Energy: 1.7425303339585434
Energy: 1.8024667953663822
Energy: 1.676076429209017
Energy: 1.917897101216072

minimum gb energy = 1.4581656799829934 eV
minimum distance =  2.15644593833926 Angstroms
sigma value = 365


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

Energy: 1.4340122508074258
Energy: 1.8348502494843608
Energy: 1.360639892911714
Energy: 1.2734426994106038
Energy: 1.223009723360463
Energy: 1.2364105267609873
Energy: 1.2709406869547506
Energy: 1.480027444502644
Energy: 1.9459492855902358
Energy: 1.2794170689289963
Energy: 1.32575289149768
Energy: 1.3354843390160844
Energy: 1.2836541156042558
Energy: 1.72750922415403
Energy: 1.3308761163633478
Energy: 1.7388453690804369
Energy: 1.2929453231433032
Energy: 1.2645611186782169
Energy: 1.2621844872613273
Energy: 1.2916036675010352
Energy: 1.3465102294918811
Energy: 1.3328926739696056
Energy: 1.7425746408690148
Energy: 1.292449751545431
Energy: 1.2614311507971052
Energy: 1.2628834620637215
Energy: 1.2909231227372566
Energy: 1.3362711761522217
Energy: 1.403696587869026
Energy: 1.8441963078003483
Energy: 1.3016438590784372
Energy: 1.5656678088019456
Energy: 1.333708765592321
Energy: 1.3014390909992117
Energy: 1.7264373483213868
Energy: 1.4346785982649792
Energy: 1.6342465098845382
Energy: 1.2466672539325359
Energy: 1.274956643249297
Energy: 1.270989914882478
Energy: 1.2370508865850918
Energy: 1.2709688436785196
Energy: 1.3023657925969445
Energy: 1.7482779841402638
Energy: 1.2820629124847422
Energy: 1.3845844696158232
Energy: 1.33496584725247
Energy: 1.2857335419280569
Energy: 1.7775894170972242
Energy: 1.3301029913480578
Energy: 1.7488029422147326
Energy: 1.2821687572850864
Energy: 1.366105611626695
Energy: 1.3705634611286313
Energy: 1.2814237358603782
Energy: 1.748962514732832
Energy: 1.4348850213380064
Energy: 1.760959575703093
Energy: 1.2471569006295462
Energy: 1.2667649540427333
Energy: 1.2768301608304704
Energy: 1.2382630193010264
Energy: 1.320650572858768
Energy: 1.4028998989753052
Energy: 1.6249473029575057
Energy: 1.3016440546572872
Energy: 1.594084041108745
Energy: 1.5905581689989468
Energy: 1.2994235285460969
Energy: 1.5691317937901974
Energy: 1.4354456583308353
Energy: 1.7423562491451188
Energy: 1.2756339660868572
Energy: 1.266879066020667
Energy: 1.267832551180035
Energy: 1.2756504736969052
Energy: 1.3209678164573602
Energy: 1.3432636332626495
Energy: 1.7288316109055941
Energy: 1.28220574596128
Energy: 1.3821488392157972
Energy: 1.2784946776101682
Energy: 1.287144572496943
Energy: 1.750437873243789
Energy: 1.3016396210770875
Energy: 1.8983389989097772
Energy: 1.2955591297685705
Energy: 1.3720150148412311
Energy: 1.3356461733700773
Energy: 1.283853456896059
Energy: 1.5985186767139397
Energy: 1.4347465299676292
Energy: 1.7270589740997586
Energy: 1.2467626101273561
Energy: 1.2701062720470482
Energy: 1.2934475377264185
Energy: 1.2366530325514475
Energy: 1.2707660598256405
Energy: 1.3898146438788066
Energy: 2.0117934944824007
Energy: 1.3227664205201835
Energy: 1.3332127158323415
Energy: 1.3540505640251514
Energy: 1.325646415088066
Energy: 1.77630871600881
Energy: 1.3320880466327867
Energy: 1.784462850540153
Energy: 1.2926763914917552
Energy: 1.2652158648607956
Energy: 1.2630164496454255
Energy: 1.2911338214099832
Energy: 1.3460875214525738
Energy: 1.3316469719453696
Energy: 1.7392999805210416
Energy: 1.2928584926689504
Energy: 1.264678545966377
Energy: 1.2846500921722028
Energy: 1.2911641194698626
Energy: 1.3366462150413339
Energy: 1.3906588524523404
Energy: 2.0124819107809966
Energy: 1.2964644707113444
Energy: 1.3288854093319937
Energy: 1.3363489689879102
Energy: 1.3248619088709348
Energy: 1.7267180947726146
Energy: 1.4349985794810738
Energy: 1.763732520177881
Energy: 1.4012036065115734
Energy: 1.2758108913613257
Energy: 1.2708244366626016
Energy: 1.2364576717295965
Energy: 1.2707538054176488
Energy: 1.3017273903851512
Energy: 1.6986200721984568
Energy: 1.2813789735199301
Energy: 1.3254592151469118
Energy: 1.3353225153776258
Energy: 1.2833077107178061
Energy: 1.598702162746077

minimum gb energy = 1.223009723360463 eV
minimum distance =  2.24728438673684 Angstroms
sigma value = 23