Model name: model_name=Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8296494334936138
cohesive_energy=4.3759129323723
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=[7.734619852999379e-20, 1.6394753060395198e-19, 2.66446780764102e-19, 3.97081854793926e-19, 4.755772946234879e-19, 5.10688995557598e-19, 5.32311971410062e-19, 5.493527220892859e-19, 5.67196163262144e-19, 5.86326152272104e-19, 6.053087410317359e-19, 6.223751265371039e-19, 6.367258226478419e-19, 6.486299950384619e-19, 6.58754149188708e-19, 6.67564518499074e-19, 6.753895491795299e-19, 6.822596825861219e-19, 6.88149283892706e-19, 6.929622225012419e-19, 6.966536374659779e-19, 6.99210711373842e-19, 7.006414551080039e-19, 7.010436014431379e-19, 7.00604605045422e-19, 6.991754634878939e-19, 6.965462916314999e-19, 6.92463945568068e-19, 6.86465396250372e-19, 6.78912735597696e-19, 6.709018524276959e-19, 6.63395654897406e-19, 6.552309627705419e-19, 6.4393401532420795e-19, 6.26926910354298e-19, 6.03413366073714e-19, 5.728486424268959e-19, 5.253184704026519e-19, 4.5302345414667e-19, 4.06653258005442e-19, 3.50118853298118e-19, 1.329479762186664e-19, -4.84658431785e-19, -1.70253697835376e-18, -3.71447028649926e-18, -7.482533381405819e-18, -1.540385487756522e-17, -3.36514771498824e-17, -5.96631352381992e-17, -7.103971086324299e-17, -7.10073468952362e-17, -7.10363462923116e-17, -7.12098620217738e-17, -7.15963070258946e-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: 0.01686872262855732
Energy: 29.09244648800626
Energy: 28.957427788228877
Energy: 0.017511749694376716
Energy: 0.01760833451635513
Energy: 29.251783880993486
Energy: 0.016974280104770523
Energy: 0.18856545754410545
Energy: 0.2413123065529289
Energy: 0.4820110787276056
Energy: 0.18735535056565247
Energy: 0.4825444250432929
Energy: 0.48090933516045303
Energy: 0.18763581427497522
Energy: 0.18854501150888833
Energy: 0.4809756689898239
Energy: 0.48100695296021073
Energy: 0.1885613075738774
Energy: 0.48130479071787013
Energy: 0.2412980820710693
Energy: 0.18738594660862737
Energy: 0.18723839551700155
Energy: 0.48205486625757266
Energy: 0.24183611987496131
Energy: 0.190604216608466
Energy: 0.18756687879216163
Energy: 0.24191119241561065
Energy: 0.1875838319668661
Energy: 0.1874256787301868
Energy: 0.24197864729544538
Energy: 0.4811215571797413
Energy: 0.18780883760290804
Energy: 0.48085193156235456
Energy: 0.24102922207956595
Energy: 0.1875340697430109
Energy: 0.017256062718871205
Energy: 0.24126687293347696
Energy: 0.482564120460411
Energy: 0.017427574416240002
Energy: 0.01755359238407896
Energy: 0.48093403565721843
Energy: 0.1880202374061427

minimum gb energy = 0.01686872262855732 eV
minimum distance =  2.41899967960205 Angstroms
sigma value = 5


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

Energy: 2.856058706052075
Energy: 6.826856444776593
Energy: 6.4823323712506395
Energy: 1.4693952690321122
Energy: 1.4684763449351534
Energy: 6.315154597140334
Energy: 1.4872023754170371
Energy: 1.5986202752105032
Energy: 1.5017662119280601
Energy: 1.5191836464157356
Energy: 1.5298234304871963
Energy: 1.553095918631729
Energy: 1.5171270395775192
Energy: 1.5622955432735228
Energy: 1.5504329554807612
Energy: 1.552108541322882
Energy: 1.6024054572318391
Energy: 1.5484420954840885
Energy: 1.5599551072749194
Energy: 1.5593235639990335
Energy: 1.5464298158514413
Energy: 1.5540815854286738
Energy: 1.5811868744763518
Energy: 1.598685635364291
Energy: 1.5408808910193235
Energy: 1.5553739007459477
Energy: 1.6030672699161446
Energy: 1.5425540779846518
Energy: 1.5718796868824572
Energy: 1.562218758076017
Energy: 1.5923943535427516
Energy: 1.545500066335008
Energy: 1.5439123574666427
Energy: 1.552260736984559
Energy: 1.5818402169577073
Energy: 1.6026748589915991
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Energy: 1.5929303908399945
Energy: 1.577761054637641
Energy: 1.5439231660452786
Energy: 1.5869010301812383
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Energy: 1.5986835017953123
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Energy: 1.503496198340547
Energy: 1.5222347240313867
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Energy: 1.465380030640796
Energy: 1.5333755010889527
Energy: 1.4955289981992819
Energy: 1.4709956081558275
Energy: 1.5170538719120532
Energy: 1.4963781263834839
Energy: 1.4629517055207628
Energy: 1.5268284889977735
Energy: 1.5051743142733078
Energy: 1.6350813125593096
Energy: 1.4631787756266978
Energy: 1.5214849670030275
Energy: 1.4958226036795905
Energy: 1.4536080729721457
Energy: 1.5587447803735948
Energy: 1.546150623978868
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Energy: 1.528594035038653
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Energy: 1.5224427026854115
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Energy: 1.5019548943644037
Energy: 1.5220189814794773
Energy: 1.463112279977523
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Energy: 1.4658317080062484
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Energy: 1.4918231479406816
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Energy: 1.5089567751772075
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Energy: 1.508443673064888
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Energy: 1.5461694858343533
Energy: 1.5130537945324207
Energy: 1.5798075382978978
Energy: 1.5659602568711686
Energy: 1.611445087007192
Energy: 1.5411159783279202
Energy: 1.5133963874387153
Energy: 1.5907817579726302
Energy: 1.5320963288782057
Energy: 1.5518456176993218
Energy: 1.5929706717782681
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Energy: 1.5085457893605312
Energy: 1.5270450835141558
Energy: 1.5170030244209878
Energy: 1.5042823475920892
Energy: 1.5274484441093856
Energy: 1.5157876194876132
Energy: 1.503193327555754
Energy: 1.499376621739212
Energy: 1.5276855055191405
Energy: 1.524038790034031
Energy: 1.5072902995565751
Energy: 1.5255312396687215
Energy: 1.5243204416921872
Energy: 1.6013433215322685
Energy: 1.6025219056245674
Energy: 1.558579287275815
Energy: 1.600659063954308
Energy: 1.5983017733179778
Energy: 1.5660862298505545
Energy: 1.6005769953796078
Energy: 1.5477374629889662
Energy: 1.5821126207909078
Energy: 1.5940257052193156
Energy: 1.5400346466139623
Energy: 1.5808395017700376
Energy: 1.5933445927918506
Energy: 1.5398692741730668
Energy: 1.5533110243083077
Energy: 1.5452456764958091
Energy: 1.6025808776727068
Energy: 1.5483966340829765
Energy: 1.5854476154692576
Energy: 1.5774254637885727
Energy: 1.5460400371229666
Energy: 1.6403925501617596
Energy: 1.5169357809621766
Energy: 1.5730690931960625
Energy: 1.5547891082685283
Energy: 1.5625676064135172
Energy: 1.5719059397750907
Energy: 1.5774038051502393
Energy: 1.5796865037716628
Energy: 1.5761659192991704
Energy: 1.5266145169446714
Energy: 1.5071424748898377
Energy: 1.540971035519371
Energy: 1.5159586442388122
Energy: 1.5000207200900093

minimum gb energy = 1.451971767322903 eV
minimum distance =  2.21590413803138 Angstroms
sigma value = 401


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

Energy: 2.4310494998130205
Energy: 1.7056520598039284
Energy: 1.6399887413830796
Energy: 1.5122058683969102
Energy: 1.5234119288199475
Energy: 1.748401862179418
Energy: 1.5817758612697737
Energy: 1.5706936040861863
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Energy: 1.595943049354168
Energy: 1.6005125564665141
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Energy: 1.599620161816544
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Energy: 1.5379571562556875
Energy: 1.686352034073189
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Energy: 1.5956572125311093
Energy: 1.67657712786849
Energy: 1.6155363461993153
Energy: 1.5961120600075591
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Energy: 1.7543849695001184
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Energy: 1.733978903220752
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Energy: 1.708890252192688
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Energy: 1.555927786077862
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Energy: 1.5523060419353147
Energy: 1.5713092895663083
Energy: 1.5626396101729765
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Energy: 1.5058759927821748
Energy: 1.561648696993137
Energy: 1.6443030381131456
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Energy: 1.6097754219228129
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Energy: 1.6696169105750458
Energy: 1.5658255640868628
Energy: 1.5974346793187022
Energy: 1.6790611565086897
Energy: 1.5633643361181406
Energy: 1.5804001897113122
Energy: 1.5810974848509411
Energy: 1.696226825112875
Energy: 1.5918238393191608
Energy: 1.5832316538822784
Energy: 1.6838640753965999
Energy: 1.588923160153113
Energy: 1.6269448356465288
Energy: 1.5826922749651706
Energy: 1.673629433829538
Energy: 1.6386064070676472
Energy: 1.6000883438252098
Energy: 1.6651559787379973
Energy: 1.5994648261796076
Energy: 1.5918890775067718
Energy: 1.5973387804938333
Energy: 1.6744952478044417
Energy: 1.587674935372097
Energy: 1.6190618082419246
Energy: 1.6764608083401973
Energy: 1.7036872218204178
Energy: 1.745484603503891
Energy: 1.6847764341178688
Energy: 1.6612513666458748
Energy: 1.7337509813088772
Energy: 1.742528677200213
Energy: 1.6625836631325868
Energy: 1.7254497288559854
Energy: 1.6247537450708203
Energy: 1.6902201029369515
Energy: 1.6849620170498005
Energy: 1.7128508567663796
Energy: 1.7470292359898283
Energy: 1.6848337833706637
Energy: 1.715512310439002
Energy: 1.6023736172823633
Energy: 1.5913677359599305
Energy: 1.614348850975766
Energy: 1.5839129841113246
Energy: 1.5929353976661813
Energy: 1.6036070975119006
Energy: 1.5961160894280857
Energy: 1.8522878615033156
Energy: 1.6011420631840954
Energy: 1.5219026301203524
Energy: 1.5098627330267076
Energy: 1.5851263981558708
Energy: 1.5217886946853296
Energy: 1.5153080969330135
Energy: 1.6000086126928315
Energy: 1.5847739453466911
Energy: 1.614085207772326
Energy: 1.5991521264336923
Energy: 1.602244629793107
Energy: 1.6031753336434298
Energy: 1.5857207103220807
Energy: 1.6322886089366004
Energy: 1.6803462477934086
Energy: 1.6849943746984932
Energy: 1.6808271976733042
Energy: 1.7504243726552635
Energy: 1.686415466479185
Energy: 1.726171510623635
Energy: 1.747028315125943
Energy: 1.7323392715613992
Energy: 1.75594617945665
Energy: 1.7443591132198168
Energy: 1.7425856109435347
Energy: 1.753375922800592
Energy: 1.6359059249885213
Energy: 1.6313054205935194
Energy: 1.607354862237447
Energy: 1.701104373435642
Energy: 1.586862592828439
Energy: 1.5982987870705085
Energy: 1.7018306847066373
Energy: 1.7490077463341123
Energy: 1.5977394943904009
Energy: 1.5857024200785912
Energy: 1.6053550815438271
Energy: 1.5907494065983228
Energy: 1.6007148901746384
Energy: 1.6047984010561451
Energy: 1.5727120807653565
Energy: 1.6031215129116143
Energy: 1.59025298450049
Energy: 1.5884230129756856
Energy: 1.5797330438153536
Energy: 1.57849632859908
Energy: 1.5858650659869398
Energy: 1.5423511041744946
Energy: 1.6372505445551002
Energy: 1.5833144855309977
Energy: 1.5839450538032671
Energy: 1.5875677831091253
Energy: 1.5845978913473868
Energy: 1.5762154940174506
Energy: 1.5455912150772697
Energy: 1.5945643215456033
Energy: 1.5652007323027644
Energy: 1.6214039438928205
Energy: 1.622617410982587
Energy: 1.5495935868704904
Energy: 1.623298667576393
Energy: 1.6183034117816977
Energy: 1.59793073444482
Energy: 1.5098100311798184
Energy: 1.6922847212134655
Energy: 1.5910538663846243
Energy: 1.5839932998092
Energy: 1.6865403250380793
Energy: 1.6739740236114158
Energy: 1.5921062224816254
Energy: 1.5931072074697508
Energy: 1.628924790503646
Energy: 1.6385470095549393
Energy: 1.6145256432845516
Energy: 1.627451958596987
Energy: 1.6375840336612817
Energy: 1.560700041910886
Energy: 1.5560959492782576
Energy: 1.58784821235295
Energy: 1.5140684688697883
Energy: 1.523778257060296
Energy: 1.5859369193130086
Energy: 1.56477028675694

minimum gb energy = 1.5014241914940296 eV
minimum distance =  2.17995289101961 Angstroms
sigma value = 311


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

Energy: 1.751561160085237
Energy: 6.949362997541439
Energy: 6.6749792603849345
Energy: 1.7637464064590718
Energy: 1.759126176375006
Energy: 6.617970211706879
Energy: 1.7468930263542088
Energy: 1.5462098594246112
Energy: 1.5252420499523507
Energy: 1.522941046296679
Energy: 1.5172542846888124
Energy: 1.5194660603841788
Energy: 1.5300993765990438
Energy: 1.5288452256752398
Energy: 1.5349992799817198
Energy: 1.5344453434306533
Energy: 1.5602995391100853
Energy: 1.517586260086262
Energy: 1.526519218337305
Energy: 1.5301050878329556
Energy: 1.5287184486415673
Energy: 1.47439463906033
Energy: 1.4911780133673849
Energy: 1.5500437423575635
Energy: 1.454143695089953
Energy: 1.4925530603963122
Energy: 1.4734639079407106
Energy: 1.5398531374325302
Energy: 1.54399706107514
Energy: 1.5237889200110544
Energy: 1.5871935258628738
Energy: 1.5220608695548428
Energy: 1.542107418019515
Energy: 1.5910017172844109
Energy: 1.5219903311847405
Energy: 1.694918236163641
Energy: 1.5556987574105188
Energy: 1.739474142659663
Energy: 1.7038621537716927
Energy: 1.7134342699592064
Energy: 1.7405149077902264
Energy: 1.7085952167628038
Energy: 1.7090431164928022
Energy: 1.7082893163751778
Energy: 1.7329686839347986
Energy: 1.6991816908124815
Energy: 1.689965517730282
Energy: 1.7281633198124027
Energy: 1.692934368412982
Energy: 1.5501159554876138
Energy: 1.5310297865251699
Energy: 1.518272127404817
Energy: 1.5337984633077477
Energy: 1.5443609056676295
Energy: 1.5370779214412431
Energy: 1.5266196503926708
Energy: 1.5482802267733808
Energy: 1.575269842622802
Energy: 1.5489030962921604
Energy: 1.5670796331558992
Energy: 1.5360401101577665
Energy: 1.5567447630785483
Energy: 1.5689037495001623
Energy: 1.5645291235823153
Energy: 1.7071726415861517
Energy: 1.586252719366515
Energy: 1.5696344057963378
Energy: 1.5513222475328623
Energy: 1.7139119559788567
Energy: 1.6130974244557799
Energy: 1.5470812786243187
Energy: 1.5185220797155206
Energy: 1.5291187984439025
Energy: 1.5340578604724495
Energy: 1.5282241911994312
Energy: 1.5278162498183447
Energy: 1.58607707086652
Energy: 1.7123108980106811
Energy: 1.7097528463137928
Energy: 1.5032285689244418
Energy: 1.6721979997219056
Energy: 1.6581677018905516
Energy: 1.723885175745016
Energy: 1.7664571339563107
Energy: 1.6909718712396173
Energy: 1.6955583215648902
Energy: 1.7529008363732146
Energy: 1.7168884603376793
Energy: 1.6942202539807552
Energy: 1.752606423929894
Energy: 1.7631075164382242
Energy: 1.549760681463915
Energy: 1.5173854231413708
Energy: 1.51780193102898
Energy: 1.5264519873495714
Energy: 1.5298933512088109
Energy: 1.52899133804954
Energy: 1.5268033952115194
Energy: 1.5708523010934998
Energy: 1.5580594900558566
Energy: 1.518558049939493
Energy: 1.5296874175922985
Energy: 1.5500519232419996
Energy: 1.5487350999258094
Energy: 1.5234680034686245
Energy: 1.5138846915870146
Energy: 1.574635192136707
Energy: 1.4672315126602453
Energy: 1.4913938715136779
Energy: 1.4737448699035023
Energy: 1.5413985595141753
Energy: 1.4847408547832175
Energy: 1.5648795506790987
Energy: 1.5837804266401647
Energy: 1.5122378428410472
Energy: 1.5348185759882267
Energy: 1.5801104002244388
Energy: 1.5128370138003542
Energy: 1.543881118698139
Energy: 1.7122478671679071
Energy: 1.7378572074522047
Energy: 1.5462227170466765
Energy: 1.7126835377365894
Energy: 1.7410878591184336
Energy: 1.7082845423587183
Energy: 1.6938855564340338
Energy: 1.7030798671528204
Energy: 1.757082608971519
Energy: 1.6883496014285935
Energy: 1.688872976584359
Energy: 1.7268846725312745
Energy: 1.6968037994638163
Energy: 1.687073861954978
Energy: 1.5516354132063253
Energy: 1.5460284798561672
Energy: 1.5262253726782793
Energy: 1.5414114972777666
Energy: 1.550837483753479
Energy: 1.5355073684111673
Energy: 1.5297662638566236
Energy: 1.6934360093028664
Energy: 1.584972998048755
Energy: 1.57293624060602
Energy: 1.7217832507666175
Energy: 1.5413341389909994
Energy: 1.6181705036393736
Energy: 1.5334316049386454
Energy: 1.6988466314279032
Energy: 1.5065327627655087
Energy: 1.5672561592327994
Energy: 1.5617812614184627
Energy: 1.5560115190216888
Energy: 1.5764501233485504
Energy: 1.529922882703798
Energy: 1.5417835009134844
Energy: 1.5182415050263007
Energy: 1.533839286034324
Energy: 1.5283572206296443
Energy: 1.5278872514137107
Energy: 1.570698188513595
Energy: 1.53102786389629
Energy: 1.6964213716844045
Energy: 1.767555710993308
Energy: 1.7008391378864485
Energy: 1.69388562822388
Energy: 1.7514976369414705
Energy: 1.7583569103480448
Energy: 1.6766144299215755
Energy: 1.692714610788338
Energy: 1.4953995710613859
Energy: 1.7607848284281606
Energy: 1.694757517315556
Energy: 1.7524469200340624
Energy: 1.7571920647319668
Energy: 1.6924054299946345
Energy: 1.5469604839965143
Energy: 1.514030521421723
Energy: 1.526401680085467
Energy: 1.5282455628107254
Energy: 1.5280775208488868
Energy: 1.5261860142044266
Energy: 1.53044437782015
Energy: 1.5534049050476972
Energy: 1.5491395842481173
Energy: 1.5666614026982533
Energy: 1.5507622792216653
Energy: 1.5466536271278368
Energy: 1.5692820419785025
Energy: 1.5362520750537103
Energy: 1.5778337670248992
Energy: 1.468676913899464
Energy: 1.5237696051888054
Energy: 1.5765405686364384
Energy: 1.5577935524247217
Energy: 1.497145745839098
Energy: 1.5040767304156566
Energy: 1.5805289764381416
Energy: 1.5183524956427088
Energy: 1.5286041061925404
Energy: 1.5795647453220498
Energy: 1.5127410524216078
Energy: 1.5364147818108573
Energy: 1.5930677006502834
Energy: 1.7233627669707658
Energy: 1.6957168951390817
Energy: 1.7001152808645934
Energy: 1.7360483661202728
Energy: 1.6923882752705341
Energy: 1.675355785632311
Energy: 1.7119517695345785
Energy: 1.6005322968955937
Energy: 1.7256061500957156
Energy: 1.6645702950562493
Energy: 1.7049907637625215
Energy: 1.6600506732953217
Energy: 1.6873963461959618
Energy: 1.5755810406454827
Energy: 1.5199317277183293
Energy: 1.5497864299688786
Energy: 1.5433640310664485
Energy: 1.5257005726655903
Energy: 1.53451474803081
Energy: 1.5292214235845587
Energy: 1.5417058305664784
Energy: 1.5712217189862983
Energy: 1.5833299879459226
Energy: 1.7138346029983693
Energy: 1.5840983767837626
Energy: 1.6212397036007522
Energy: 1.597253956367381
Energy: 1.7141228203081063
Energy: 1.5762012417434008
Energy: 1.5496534323455338
Energy: 1.5607408234206543
Energy: 1.5292620014671403
Energy: 1.5352400536488182
Energy: 1.5304366166323007
Energy: 1.5278835524940566
Energy: 1.593450147037144
Energy: 1.5380835381955464
Energy: 1.517294638357342
Energy: 1.517662983106886
Energy: 1.5714632319860078
Energy: 1.529353161349685
Energy: 1.534444088222059
Energy: 1.76272660802943
Energy: 1.6976712533661151
Energy: 1.6930745007718233
Energy: 1.7523391168290492
Energy: 1.7578281810712626
Energy: 1.6819182283442813
Energy: 1.745552740732266

minimum gb energy = 1.454143695089953 eV
minimum distance =  2.20271489911637 Angstroms
sigma value = 39


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

Energy: 1.8680552842437639
Energy: 8.168984637169165
Energy: 8.276970492191904
Energy: 1.8693116567580446
Energy: 1.8696678720171496
Energy: 7.990084472413032
Energy: 1.5194618905084532
Energy: 1.6115613756555212
Energy: 1.566408794737291
Energy: 1.5165041255775014
Energy: 1.609785386788081
Energy: 1.5668078178090057
Energy: 1.5154247495707507
Energy: 1.6260949297629395
Energy: 1.6112707380984703
Energy: 1.5300567915894558
Energy: 1.556735272298528
Energy: 1.6099325764920562
Energy: 1.5737865099158457
Energy: 1.516480838241352
Energy: 1.6070869007231496
Energy: 1.610755645365542
Energy: 1.4400820762996687
Energy: 1.5601160427212901
Energy: 1.5806398072814174
Energy: 1.48482824120683
Energy: 1.401121118733801
Energy: 1.6066446532703236
Energy: 1.6483345267528027
Energy: 1.5361742206479776
Energy: 1.5179987366689307
Energy: 1.5985959442891806
Energy: 1.520946204967725
Energy: 1.5189690111954315
Energy: 1.5464472550798907
Energy: 1.5557292634786417
Energy: 1.4779620554306763
Energy: 1.4610566720049745
Energy: 1.4633152673965077
Energy: 1.4762171430862152
Energy: 1.4619574227042857
Energy: 1.5011394642000861
Energy: 1.5117194901090583
Energy: 1.4764977670603245
Energy: 1.4608348145140617
Energy: 1.5622320349212573
Energy: 1.5068368158829253
Energy: 1.461024414969577
Energy: 1.5614416709854857
Energy: 1.5691078425012184
Energy: 1.5071320132060477
Energy: 1.5745100993168668
Energy: 1.585670699685767
Energy: 1.5068167101066554
Energy: 1.574154789574411
Energy: 1.5790562913402455
Energy: 1.5670645391410378
Energy: 1.7164585794048741
Energy: 1.5439874490236212
Energy: 1.611671931685288
Energy: 1.566753504971724
Energy: 1.5635210334904046
Energy: 1.6249636324909933
Energy: 1.585421245017131
Energy: 1.5572763458068317
Energy: 1.7139567770606063
Energy: 1.6176192100648445
Energy: 1.5844779872863302
Energy: 1.7145182909502144
Energy: 1.6203848104861003
Energy: 1.6022976457921765
Energy: 1.5660772919961001
Energy: 1.5561270030154253
Energy: 1.6416657694982948
Energy: 1.5682524211035838
Energy: 1.5681016060980142
Energy: 1.6099471490298276
Energy: 1.641345149540329
Energy: 1.5460644711312048
Energy: 1.5561113720158632
Energy: 1.6107603894838631
Energy: 1.5665667505810434
Energy: 1.5556905594117525
Energy: 1.6075108466263088
Energy: 1.6043110559893383
Energy: 1.5526423010822
Energy: 1.5913611069800082
Energy: 1.653820482427741
Energy: 1.5504751224965165
Energy: 1.484478918311683
Energy: 1.5698715200071283
Energy: 1.6112363132573153
Energy: 1.5734763239888996
Energy: 1.5563042528345132
Energy: 1.6119271272561408
Energy: 1.5728199339273528
Energy: 1.5563134109670718
Energy: 1.6104512646818243
Energy: 1.5576548613227637
Energy: 1.566788539864497
Energy: 1.5894482444746438
Energy: 1.6100902382532334
Energy: 1.566718488804487
Energy: 1.5901437896285247
Energy: 1.626053518166574
Energy: 1.868069158178265
Energy: 8.236945660506157
Energy: 7.888316137938925
Energy: 1.5193000112573896
Energy: 1.5193074568743512
Energy: 1.694069976201127
Energy: 1.5575160375659245
Energy: 1.6115587253748074
Energy: 1.5663040235115735
Energy: 1.5165482112823991
Energy: 1.609777933307013
Energy: 1.5666644958397637
Energy: 1.5155358978258424
Energy: 1.627845433889959
Energy: 1.6114326735083797
Energy: 1.5299568717692864
Energy: 1.5568225642209839
Energy: 1.609723368573099
Energy: 1.574051603437374
Energy: 1.5148592181938276
Energy: 1.607402821445727
Energy: 1.6108577300659648
Energy: 1.4392670362750615
Energy: 1.5594012327136213
Energy: 1.580695144771248
Energy: 1.4847369082594983
Energy: 1.400580958823955
Energy: 1.60729469075327
Energy: 1.6478769975491863
Energy: 1.5242606977466893
Energy: 1.5166337935220928
Energy: 1.5987008789316617
Energy: 1.5217409765511132
Energy: 1.519039215189772
Energy: 1.5465327978554142
Energy: 1.5560323888396599
Energy: 1.477801085641443
Energy: 1.4610063532031663
Energy: 1.463749094578132
Energy: 1.4762167893210476
Energy: 1.4620334453296784
Energy: 1.5013187009848101
Energy: 1.5116690602863303
Energy: 1.5094774005792495
Energy: 1.4607893705874753
Energy: 1.5627125827153363
Energy: 1.5065931130257093
Energy: 1.4614295450798411
Energy: 1.562305130284062
Energy: 1.5692848347548098
Energy: 1.5071239968009955
Energy: 1.5742669049013298
Energy: 1.5856470674791154
Energy: 1.5069207908456275
Energy: 1.574024377563135
Energy: 1.5789514937386562
Energy: 1.5845336467521356
Energy: 1.5581591085365145
Energy: 1.5439275385913842
Energy: 1.6113194837243314
Energy: 1.583970571090651
Energy: 1.5667960559413412
Energy: 1.624721582977796
Energy: 1.5672536439653055
Energy: 1.5565526492906878
Energy: 1.713785204374675
Energy: 1.6174767974123567
Energy: 1.5845266473176698
Energy: 1.7143263774319057
Energy: 1.6190635199214256
Energy: 1.6024979766854932
Energy: 1.5660594195344768
Energy: 1.5560749261829
Energy: 1.640679487911517
Energy: 1.5678169435536404
Energy: 1.568071641683142
Energy: 1.6098806407058397
Energy: 1.6543991793674353
Energy: 1.545703552417524
Energy: 1.5560555135456111
Energy: 1.624804627535459
Energy: 1.5664769131426028
Energy: 1.5560433064101384
Energy: 1.569530357179492
Energy: 1.6042621864911972
Energy: 1.5524157061491513
Energy: 1.5915350138185973
Energy: 1.6363705031876257
Energy: 1.5504714824631842
Energy: 1.4845673595679283
Energy: 1.5698479938727194
Energy: 1.6113387608150898
Energy: 1.5677989908259404
Energy: 1.5561714573329952
Energy: 1.6117695517409425
Energy: 1.5727695808979225
Energy: 1.5562137769253672
Energy: 1.6103967805088433
Energy: 1.5579052019002597
Energy: 1.5668769005999306
Energy: 1.5911982279400385
Energy: 1.6100872036787062
Energy: 1.5667065086873304
Energy: 1.7133327016344504
Energy: 1.6476853939065335

minimum gb energy = 1.400580958823955 eV
minimum distance =  2.17947064961752 Angstroms
sigma value = 21


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

Energy: 2.0667817312337546
Energy: 8.7848521167652
Energy: 8.717801447540177
Energy: 2.047434911668937
Energy: 1.8657991239957465
Energy: 8.651051242789535
Energy: 1.44463657178209
Energy: 1.423117275171569
Energy: 1.504707264676022
Energy: 1.3949553660067457
Energy: 1.5428983787381876
Energy: 1.5037686970871103
Energy: 1.3951537160132583
Energy: 1.541056783600531
Energy: 1.4202999653956105
Energy: 1.4674528871875356
Energy: 1.3945931230343622
Energy: 1.4315190600631864
Energy: 1.3946907736271712
Energy: 1.3946388107780627
Energy: 1.4437364968835902
Energy: 1.529065432399386
Energy: 1.4704198216392617
Energy: 1.310764711501982
Energy: 1.4316528091059308
Energy: 1.4705399237411032
Energy: 1.3105805847785625
Energy: 1.4309779350633702
Energy: 1.4059103290946604
Energy: 1.3397662766347913
Energy: 1.3949173175238083
Energy: 1.4309860547384352
Energy: 1.3882298499752441
Energy: 1.3110132707156568
Energy: 1.4434312959289104
Energy: 1.4053391037005967
Energy: 1.3607613876449067
Energy: 1.3948006460577684
Energy: 1.4053273262924202
Energy: 1.3950972414141782
Energy: 1.3947355273438402
Energy: 1.427208257221636
Energy: 1.3075376420070033
Energy: 1.3771218021622318
Energy: 1.3109636429678966
Energy: 1.4089150292490749
Energy: 1.3770538076821144
Energy: 1.3942579479709465
Energy: 1.3693302482866005
Energy: 1.3072358325202624
Energy: 1.3051731859618987
Energy: 1.4428392599989723
Energy: 1.355782497041091
Energy: 1.3074882939007852
Energy: 1.4548919319112754
Energy: 1.3373220425871197
Energy: 1.30496553199581
Energy: 1.3078515074808426
Energy: 1.4687702187692264
Energy: 1.350826468282252
Energy: 1.3052445328339854
Energy: 1.476802464802834
Energy: 1.3504307320176807
Energy: 1.3055730833419565
Energy: 1.3051331376135458
Energy: 1.4388034236486733
Energy: 1.3354437672219401
Energy: 1.3054237183612447
Energy: 1.439821111543142
Energy: 1.3352703973523024
Energy: 1.3477291718567792
Energy: 1.3922658202025855
Energy: 1.445293065566824
Energy: 1.3888258596660814
Energy: 1.3917685953064567
Energy: 1.4011450908274825
Energy: 1.3855671167971468
Energy: 1.3939831285335753
Energy: 1.3998317795917157
Energy: 1.4001613702028686
Energy: 1.385232679121363
Energy: 1.4006368128417586
Energy: 1.4012662798757174
Energy: 1.3857324506301478
Energy: 1.3646205717196154
Energy: 1.366461393123279
Energy: 1.3053617567604725
Energy: 1.335736655162734
Energy: 1.469682841036331
Energy: 1.3053103918188775
Energy: 1.3392994771985074
Energy: 1.429182991636192
Energy: 1.4407579326220237
Energy: 1.3076452530054317
Energy: 1.327658098795061
Energy: 1.4320054889995442
Energy: 1.3075598425660655
Energy: 1.3281279685027232
Energy: 1.4360074383548447
Energy: 1.4540314458909496
Energy: 1.3076133571579924
Energy: 1.3614629908250333
Energy: 1.4611121547135977
Energy: 1.3082203594386257
Energy: 1.351190407828214
Energy: 1.4203387576325253
Energy: 1.3944768453990335
Energy: 1.3774676877965462
Energy: 1.409230176610782
Energy: 1.3943488739367922
Energy: 1.4743839901996398
Energy: 1.4090076853443159
Energy: 1.3926994146770186
Energy: 1.3944259885569192
Energy: 1.376435630780936
Energy: 1.4031673302009942
Energy: 1.3944652335735377
Energy: 1.3768219678692617
Energy: 1.4089637736577423
Energy: 1.4237915351059756
Energy: 1.3951425174838477
Energy: 1.3889230412204012
Energy: 1.4311668494001581
Energy: 1.3948735697969452
Energy: 1.3892007174645862
Energy: 1.4310494223020793
Energy: 1.3950107410101762
Energy: 1.3107375194355124
Energy: 1.384559924737422
Energy: 1.43139102614644
Energy: 1.3107041537716746
Energy: 1.4148250815805423
Energy: 1.4200150430603098
Energy: 1.3946958396002005
Energy: 1.3949204717086976
Energy: 1.394691161426064
Energy: 1.5014653479287396
Energy: 1.3948809264709827
Energy: 1.3948563751730723
Energy: 1.431487624918228
Energy: 1.452227331235695
Energy: 1.3949753931462294
Energy: 1.467232656710434
Energy: 1.54233486639679
Energy: 1.3949264442419247
Energy: 1.4765360269333923
Energy: 1.5421104267118981
Energy: 1.4228003976345522
Energy: 1.4230483220307644
Energy: 1.5023091828476276
Energy: 1.5020603147807143
Energy: 1.423244995234559
Energy: 1.4214976731880435
Energy: 1.5022344793518405
Energy: 1.422837367018897
Energy: 1.4704957792205544
Energy: 1.5106157534053168
Energy: 1.5017601756038945
Energy: 1.4704169222350074
Energy: 1.3856653974584825
Energy: 1.5022132155213366
Energy: 1.443404714623451
Energy: 1.504241963985336
Energy: 1.4670079105683658
Energy: 1.5416267985456915
Energy: 1.3947602327305406
Energy: 1.5045794099929402
Energy: 1.5417974917529937
Energy: 1.5000304905479236
Energy: 1.5384698772643894
Energy: 1.3948791482295766
Energy: 1.502768195784608
Energy: 1.5023097643960466
Energy: 1.3949670812443635
Energy: 1.5361867742935413

minimum gb energy = 1.30496553199581 eV
minimum distance =  2.24291994587581 Angstroms
sigma value = 113


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

Energy: 1.9845807718083934
Energy: 1.3282855324015346
Energy: 1.3633432736459072
Energy: 1.2949142574572854
Energy: 1.2945914730392394
Energy: 1.3610761048087365
Energy: 1.8839320991296045
Energy: 1.3629293961676283
Energy: 1.3146675855888013
Energy: 1.2815140287952498
Energy: 1.3319215251088903
Energy: 1.3465530904840708
Energy: 1.2794689957845196
Energy: 1.3165874034974203
Energy: 1.294897525872933
Energy: 1.3019502139583128
Energy: 1.2804297323916185
Energy: 1.2868271419840585
Energy: 1.3090437523999963
Energy: 1.3078699802222344
Energy: 1.2872471912292878
Energy: 1.2416125481328653
Energy: 1.3418582423132854
Energy: 1.3002148631374146
Energy: 1.2360138248271317
Energy: 1.2637950508095208
Energy: 1.3003139271429167
Energy: 1.3059633327817142
Energy: 1.2266631561025791
Energy: 1.2862227635129841
Energy: 1.307204531105568
Energy: 1.292620712819532
Energy: 1.2797401038032474
Energy: 1.3022141147264095
Energy: 1.2930628075498105
Energy: 1.3006439411797583
Energy: 1.2959236827920708
Energy: 1.2990930801417446
Energy: 1.2938147183552813
Energy: 1.294856901976655
Energy: 1.2871927924247346
Energy: 1.2957718016002389
Energy: 1.2793802762939352
Energy: 1.2467579592494544
Energy: 1.26234595560885
Energy: 1.272019235561536
Energy: 1.2950388037531615
Energy: 1.2757691924348045
Energy: 1.2710904015274571
Energy: 1.2796524868930361
Energy: 1.2291987937186177
Energy: 1.3042706629911713
Energy: 1.237263729868048
Energy: 1.281981203094729
Energy: 1.3042875469314872
Energy: 1.2459630694604085
Energy: 1.2512354648476314
Energy: 1.2378802437428134
Energy: 1.2829934258021407
Energy: 1.2626529814283731
Energy: 1.2377687732732994
Energy: 1.260966782656347
Energy: 1.272207086734686
Energy: 1.2106799252430063
Energy: 1.2339341502698047
Energy: 1.2897312089134487
Energy: 1.2527830505592874
Energy: 1.2343076488553493
Energy: 1.2896140950886241
Energy: 1.258006167528818
Energy: 1.2640154717899459
Energy: 1.2563394313053258
Energy: 1.2191443982814514
Energy: 1.2623069419539195
Energy: 1.2427610808267817
Energy: 1.2194978842204838
Energy: 1.2782333483430972
Energy: 1.2864445755280538
Energy: 1.247814870209992
Energy: 1.2251138505249395
Energy: 1.2632723943822806
Energy: 1.2503816505772885
Energy: 1.2229415178211578
Energy: 1.2600746460435979
Energy: 1.2433401550430894
Energy: 1.2441222175257491
Energy: 1.1912070450920371
Energy: 1.2143648599087338
Energy: 1.2503647296340752
Energy: 1.1926702462985423
Energy: 1.2169038280109483
Energy: 1.2386099504615389
Energy: 1.2105323705828728
Energy: 1.1888885029828913
Energy: 1.2128139364471153
Energy: 1.2618972022900647
Energy: 1.1762224430822714
Energy: 1.2132215044778332
Energy: 1.2218712447917928
Energy: 1.2155502927754485
Energy: 1.2339916029680311
Energy: 1.2185275017911659
Energy: 1.2153581857746178
Energy: 1.237722517305296
Energy: 1.2383700674058389
Energy: 1.1915341079140662
Energy: 1.1903422599270326
Energy: 1.2023268528012334
Energy: 1.1966551669014187
Energy: 1.187956481805896
Energy: 1.2251342136345729
Energy: 1.1839461084596945
Energy: 1.2001627650315863
Energy: 1.187024431809101
Energy: 1.2011318690430335
Energy: 1.1944367116687034
Energy: 1.1868291064702705
Energy: 1.2023120569937358
Energy: 1.188645034037049
Energy: 1.2035106656816537
Energy: 1.201929511044347
Energy: 1.207958264788402
Energy: 1.213741213414261
Energy: 1.2067586132751549
Energy: 1.2202334050719537
Energy: 1.215993226968442
Energy: 1.2085144639052485
Energy: 1.1951967966233852
Energy: 1.2244795042897785
Energy: 1.2085371264428941
Energy: 1.2775353762680253
Energy: 1.225861878264477
Energy: 1.2066017473791117
Energy: 1.1526690103740662
Energy: 1.1522424659060069
Energy: 1.2122950974514632
Energy: 1.1871819350128396
Energy: 1.1545276451667201
Energy: 1.210656663017131
Energy: 1.1903369129374552
Energy: 1.2134815752013508
Energy: 1.2055766095758906
Energy: 1.22373318515723
Energy: 1.2053857928747251
Energy: 1.2010919251004486
Energy: 1.2239278705050585
Energy: 1.2031945511678053
Energy: 1.218344187306328
Energy: 1.2240317720828726
Energy: 1.1991927125079762
Energy: 1.2196844624170502
Energy: 1.2220215130118353
Energy: 1.2026032611029323
Energy: 1.2197084943240732
Energy: 1.1956197665334976
Energy: 1.199508826858158
Energy: 1.154708744175672
Energy: 1.1831012593430899
Energy: 1.202220369911252
Energy: 1.154943003516114
Energy: 1.1849381351835355
Energy: 1.2424174649637982
Energy: 1.2244375760055612
Energy: 1.1937031483075375
Energy: 1.2021943673717403
Energy: 1.2231702503415036
Energy: 1.1953306715973997
Energy: 1.2089288568240217
Energy: 1.2226865819095265
Energy: 1.2242221991055933
Energy: 1.1938716467547972
Energy: 1.224367218277622
Energy: 1.2238174207188277
Energy: 1.1952345973920997
Energy: 1.2075111811622652
Energy: 1.1996594268117335
Energy: 1.198265046765573
Energy: 1.1876507507728173
Energy: 1.1822772453485726
Energy: 1.201682383843658
Energy: 1.1874140404072786
Energy: 1.1778092884790645
Energy: 1.1987534291829482
Energy: 1.2101003685218341
Energy: 1.1890870804952567
Energy: 1.178936337632459
Energy: 1.2100132372561196
Energy: 1.1882059142939223
Energy: 1.1802170292245677
Energy: 1.2340276430238135
Energy: 1.2157102467516727
Energy: 1.2157936262165292
Energy: 1.2230078600565828
Energy: 1.2219003518148757
Energy: 1.2179361637261437
Energy: 1.2206881782647587
Energy: 1.2086237091910297
Energy: 1.1855459737894563
Energy: 1.2396908547970293
Energy: 1.2119681609394182
Energy: 1.186631290790661
Energy: 1.23949262631959
Energy: 1.2062689044246342
Energy: 1.2122917476444346
Energy: 1.1921915866467152
Energy: 1.2433442141715927
Energy: 1.2069940262087557
Energy: 1.1864884776026101
Energy: 1.239532964375459
Energy: 1.2088813190450953
Energy: 1.2163035218615503
Energy: 1.2151101337967203
Energy: 1.246173331057267
Energy: 1.244547125089913
Energy: 1.212746993209561
Energy: 1.245352455489588
Energy: 1.2274798751817528
Energy: 1.2569236606689058
Energy: 1.195589893149166
Energy: 1.2342324341052051
Energy: 1.2435682120215132
Energy: 1.216171680410657
Energy: 1.225426145781657
Energy: 1.2462111594484602
Energy: 1.2520345437403757
Energy: 1.2304998963851694
Energy: 1.2178698702653952
Energy: 1.270521998301053
Energy: 1.2379444780523554
Energy: 1.2161734248985157
Energy: 1.244323064845164
Energy: 1.243814171667431
Energy: 1.271079361171284
Energy: 1.2409004174595344
Energy: 1.2505256904715227
Energy: 1.274402841838828
Energy: 1.2295714892868033
Energy: 1.2484813040945888
Energy: 1.2221574589447937
Energy: 1.2568596526091098
Energy: 1.2401188623996031
Energy: 1.2028268866287868
Energy: 1.2569643089842948
Energy: 1.2531203089814573
Energy: 1.2482970928522257
Energy: 1.1941676493534952
Energy: 1.254203313901373
Energy: 1.2809779756054553
Energy: 1.1879580584430105
Energy: 1.283302137893498
Energy: 1.280869031108642
Energy: 1.2485892733179484
Energy: 1.2476526446548757
Energy: 1.2854527888420106
Energy: 1.2821375011631377
Energy: 1.2726201040999918
Energy: 1.286810324255939
Energy: 1.2805927898655611
Energy: 1.2516865300178308
Energy: 1.3062615765537307
Energy: 1.25676146310755
Energy: 1.230406228769764
Energy: 1.2859502801855036
Energy: 1.2587149398579587
Energy: 1.2654612816446793
Energy: 1.2231280409228777
Energy: 1.3076345260959918
Energy: 1.2356766773484922
Energy: 1.1949688997430592
Energy: 1.2676229273018118
Energy: 1.2910500927943835
Energy: 1.2288813748834193
Energy: 1.2206909423237187
Energy: 1.3085563811823673
Energy: 1.3400362448201546
Energy: 1.2861805719122457
Energy: 1.2511287725166316
Energy: 1.3403661083139708
Energy: 1.2885258513294828
Energy: 1.2866862332406044
Energy: 1.3788588503530503
Energy: 1.2813968869297663
Energy: 1.3249554353772972
Energy: 1.278157906783858
Energy: 1.3028864392547732
Energy: 1.274387383286423
Energy: 1.368706143862661
Energy: 1.2416545967981556
Energy: 1.279110492382868
Energy: 1.2946209169324503
Energy: 1.246207386092968
Energy: 1.2167269201240607
Energy: 1.2703568579903204
Energy: 1.3831119921725141
Energy: 1.312562040766435
Energy: 1.33906572434175
Energy: 1.3067871135066533
Energy: 1.3089104048527673
Energy: 1.3218855715539546
Energy: 1.3072578436026239
Energy: 1.2879095985976727
Energy: 1.3511693436316086
Energy: 1.3390092144814318
Energy: 1.2763765755022454
Energy: 1.322912683597086
Energy: 1.3467132162841782
Energy: 1.2768167299667024
Energy: 1.3236082337362143
Energy: 1.3406141348398644
Energy: 1.327615576481212
Energy: 1.26742693327556
Energy: 1.2741475659774613
Energy: 1.2741428233469647
Energy: 1.2828513806595214
Energy: 1.1993934272972162

minimum gb energy = 1.1522424659060069 eV
minimum distance =  2.24252014175849 Angstroms
sigma value = 365


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

Energy: 37.09917056529339
Energy: 32.1282911241756
Energy: 17.800990907584815
Energy: 17.844287725171007
Energy: 17.763412723942054
Energy: 17.732111882381474
Energy: 17.82347630363449
Energy: 0.47790026027321675
Energy: 0.4763288700573104
Energy: 0.45626590338704515
Energy: 0.4552182530132101
Energy: 0.4537172443467565
Energy: 0.45632465484143936
Energy: 0.807431675725681
Energy: 0.4756230704749027
Energy: 0.45834312803986416
Energy: 0.4567703723403856
Energy: 0.4551300028464066
Energy: 0.4566865847824899
Energy: 0.45651371848228944
Energy: 0.4564868570742523
Energy: 1.4388503791079816
Energy: 1.4366546114029815
Energy: 1.3751760527895858
Energy: 1.3750557073969347
Energy: 1.3780940709660896
Energy: 1.3799162759725483
Energy: 1.3821708363024998
Energy: 1.4383629661460986
Energy: 1.6914404000067766
Energy: 1.4398413904776581
Energy: 1.4513939588921727
Energy: 1.3822231473118047
Energy: 1.6983588322987628
Energy: 1.3949067104221615
Energy: 0.45713083753079037
Energy: 0.47765564543900346
Energy: 0.4563434327918982
Energy: 0.4757257956460095
Energy: 0.4749668832655051
Energy: 0.47493927888087384
Energy: 0.45616963884952466
Energy: 1.4386701409556766
Energy: 1.437787779569804
Energy: 1.3831873661374643
Energy: 1.3844228941803365
Energy: 1.384728902023948
Energy: 1.3817026608998142
Energy: 1.4370971253488682
Energy: 1.4384740350712542
Energy: 1.4370100868358446
Energy: 1.3830423684459154
Energy: 1.3851019938498133
Energy: 1.385028597538526
Energy: 1.3834648215217267
Energy: 1.4375475640399
Energy: 0.4572981291808448
Energy: 0.45577191420934593
Energy: 0.4753507036990369
Energy: 0.4749210322094667
Energy: 0.47607335427375913
Energy: 0.47556794392176854
Energy: 0.4560590703770706
Energy: 1.4377950782235303
Energy: 1.4362082199034987
Energy: 1.4394240644040255
Energy: 1.698422597578461
Energy: 1.453715547128822
Energy: 1.4450345580062518
Energy: 1.6922978676039047
Energy: 1.4382369902730257
Energy: 1.4362190264636856
Energy: 1.3758711872115525
Energy: 1.3778584193991585
Energy: 1.377775632852779
Energy: 1.376923834688754
Energy: 1.3758565702238321
Energy: 0.4771366243730728
Energy: 0.47589426795606826
Energy: 0.47685730389087166
Energy: 0.47535235827731187
Energy: 0.45630347033018454
Energy: 0.4754234359082863
Energy: 0.4751878221833158
Energy: 0.4776660128147386
Energy: 0.47674275241575426
Energy: 0.4745080488976712
Energy: 0.455808380674647
Energy: 0.4556264396376043
Energy: 0.47604030653977436
Energy: 0.47644230963976836
Energy: 36.899718820714
Energy: 19.456590834114213
Energy: 1.3765936228061408
Energy: 1.376156279323949
Energy: 1.3758614295047882
Energy: 1.3769312479755171
Energy: 1.375714026469223
Energy: 1.4381728925184487
Energy: 1.435075327679753
Energy: 1.4414203220044268
Energy: 0.4554996556369097
Energy: 0.45328980651628514
Energy: 0.45623272002262827
Energy: 1.4350870297976435
Energy: 0.47498548149905756
Energy: 0.4772273377504096
Energy: 0.4753654728469835
Energy: 0.47684519398675446
Energy: 0.4569647379449985
Energy: 0.47508673544393315
Energy: 0.47582047114539683
Energy: 1.4382422675370439
Energy: 1.436355131669179
Energy: 1.37653405847824
Energy: 1.3748326707699738
Energy: 1.3748944049807412
Energy: 1.381737165054119
Energy: 1.3827134718420526
Energy: 1.4382659830499327
Energy: 1.4370698597319669
Energy: 1.4395172762339976
Energy: 1.3823484589366466
Energy: 1.3827584764226926
Energy: 1.436980865654765
Energy: 1.697336583235041
Energy: 0.45693609417394315
Energy: 0.45626207036445277
Energy: 0.455926159533563
Energy: 0.45682374412375026
Energy: 0.45761588233506967
Energy: 0.4561919714576561
Energy: 0.45643781053135196
Energy: 1.4381796002496678
Energy: 1.437304464806059
Energy: 1.4380418598502431
Energy: 1.3844517096162026
Energy: 1.3816049091298062
Energy: 1.3824256341416938
Energy: 1.4374512620707396

minimum gb energy = 0.45328980651628514 eV
minimum distance =  2.31532637893302 Angstroms
sigma value = 23