Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.859877958893776
cohesive_energy=4.349013510620066
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01519592526619881
Energy: 1.1554135012494027
Energy: 0.41970433683620434
Energy: 0.5092272093320961
Energy: 0.01548973349740353
Energy: 0.015409696647492905
Energy: 0.015195925265752632
Energy: 1.1554135012491662
Energy: 0.4197043368355219
Energy: 0.5092272093318861
Energy: 1.1723948161782292
Energy: 0.4200545908262942
Energy: 0.4220127275532241
Energy: 1.1534508969424035
Energy: 0.42201272755390645
Energy: 0.42005459082697655
Energy: 1.1723948161777566
Energy: 0.4200545908267404
Energy: 0.42201272755369645
Energy: 1.15345089694264
Energy: 0.4201422504925842
Energy: 1.155413501248694
Energy: 0.4197043368359681
Energy: 0.8347169002475147
Energy: 0.4197043368357581
Energy: 1.1554135012491662
Energy: 0.4201422504923742
Energy: 1.15541350124893
Energy: 0.4197043368357581
Energy: 1.7073654853811902
Energy: 1.1723948161779931
Energy: 0.42005459082653035
Energy: 0.42201272755346025
Energy: 1.1534508969424035
Energy: 0.018135425647356443
Energy: 0.16933371850618237
Energy: 1.1723948161782292
Energy: 0.4200545908267404
Energy: 0.42201272755390645
Energy: 1.1534508969421675
Energy: 0.015195925265962598
Energy: 1.15541350124893
Energy: 0.4197043368359681
Energy: 1.7073654853802456
Energy: 0.01548973349740353
Energy: 0.015409696647492905
Energy: 0.015195925265752632
Energy: 1.1554135012494027
Energy: 0.4197043368352857
Energy: 0.5092272093320961
Energy: 1.1723948161779931
Energy: 0.4200545908262942
Energy: 0.42201272755390645
Energy: 1.15345089694264
Energy: 0.42201272755414265
Energy: 0.42005459082697655
Energy: 1.1723948161779931
Energy: 0.4200545908267404
Energy: 0.42201272755369645
Energy: 1.1534508969424035
Energy: 0.4201422504925842
Energy: 1.15541350124893
Energy: 0.4197043368357581
Energy: 1.7073654853802456
Energy: 0.4197043368357581
Energy: 1.155413501248694
Energy: 0.4201422504923742
Energy: 1.1554135012494027
Energy: 0.4197043368352857
Energy: 1.7073654853809541

minimum gb energy = 0.015195925265752632 eV
minimum distance =  2.27067080864755 Angstroms
sigma value = 3


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

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Energy: 1.5495697278765577
Energy: 1.5425570756669784
Energy: 1.5631168952234544
Energy: 1.5320228224216839
Energy: 1.5509096761233279
Energy: 1.6839929986895124
Energy: 1.5495697278776892
Energy: 1.5425570756664124
Energy: 1.5631168952228889
Energy: 1.691880983450946
Energy: 1.477039381031883
Energy: 1.6181449088768942
Energy: 1.732222609167278
Energy: 1.5528945430983292
Energy: 1.4195410269418762
Energy: 1.6918809834481174
Energy: 1.4770393810296198
Energy: 1.6181449088797228
Energy: 1.7322226091655808
Energy: 1.5526056254208214
Energy: 1.4762009608149615
Energy: 1.4726214938970528
Energy: 1.4327144621874721
Energy: 1.5054412559846442
Energy: 1.4329393228285665
Energy: 1.552605625416861
Energy: 1.4174454561717047
Energy: 1.4726214938976185
Energy: 1.4327144621874721
Energy: 1.6130891402612646
Energy: 1.481942891882092
Energy: 1.4922258921417486
Energy: 1.4976665523538697
Energy: 1.4790481284489554
Energy: 1.4464934360576964
Energy: 1.613089140264659
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Energy: 1.4922258921423146
Energy: 1.4976665523516066
Energy: 1.4562833434296947
Energy: 1.4684287566028382
Energy: 1.4670434175272025
Energy: 1.4670039187354735
Energy: 1.4430697879302696
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Energy: 1.4670039187337762
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Energy: 1.4954105479965532
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Energy: 1.4287998990083328
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Energy: 1.48248289311904
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Energy: 1.4726504746769977
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Energy: 1.5245406250254236
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Energy: 1.5528802640648427
Energy: 1.415936937797394
Energy: 1.634984909684145
Energy: 1.4754907627840899
Energy: 1.503047026320944
Energy: 1.4758960093476456
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Energy: 1.6661013466209773
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Energy: 1.6240435209658213
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Energy: 1.7822565327094002
Energy: 1.624043520964124
Energy: 1.5356438470070708
Energy: 1.473222913174276
Energy: 1.4501496040135955
Energy: 1.5261506557853677
Energy: 1.4293932929574678
Energy: 1.5641138892339674
Energy: 1.4485672294371101
Energy: 1.473222913172579
Energy: 1.45014960401699
Energy: 1.5261506557995113
Energy: 1.4293932929597308
Energy: 1.5070075151335454
Energy: 1.581957413653943
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Energy: 1.4261116656746728
Energy: 1.5070075151329794
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Energy: 1.4619752311910175
Energy: 1.4124877260130122
Energy: 1.4728685657306293
Energy: 1.4588396172095914
Energy: 1.4541467365245881
Energy: 1.4694097790432992
Energy: 1.4819932527472512
Energy: 1.4556484709812385
Energy: 1.4728685657334581
Energy: 1.4588396172078941
Energy: 1.4541467365245881
Energy: 1.469409779046128
Energy: 1.479467726442941
Energy: 1.4913768599590094
Energy: 1.4655882308883093
Energy: 1.4528418087479953
Energy: 1.51784581429329
Energy: 1.487661451341045
Energy: 1.4794677264435068
Energy: 1.4913768599561807
Energy: 1.4655882308871777
Energy: 1.4528418087479953
Energy: 1.5186997778622082
Energy: 1.4590891320161294
Energy: 1.5146053514637738
Energy: 1.6603196517290448
Energy: 1.4276439167422967
Energy: 1.4886439020296693
Energy: 1.5186997778588138
Energy: 1.4590891320138666
Energy: 1.5146053514632083
Energy: 1.660319651731308
Energy: 1.442130469918568
Energy: 1.4649358547912892
Energy: 1.4240670303604346
Energy: 1.5525836472746077
Energy: 1.401110203441322
Energy: 1.5258574633777775
Energy: 1.442130469918568
Energy: 1.4649358547901576
Energy: 1.4240670303604346
Energy: 1.552583647276305
Energy: 1.622174748882364
Energy: 1.6244737753500649
Energy: 1.5370417839499133
Energy: 1.4835771041508932
Energy: 1.4276629158650334
Energy: 1.5250707388318334
Energy: 1.6221747488817981
Energy: 1.6244737753489333
Energy: 1.5370417839476502
Energy: 1.4835771040095092
Energy: 1.5641665596270404
Energy: 1.5272497744861515
Energy: 1.5166708381375296
Energy: 1.6470746616191443
Energy: 1.5495697278776892
Energy: 1.5425570756658469
Energy: 1.5641665596276064
Energy: 1.5272497744844544
Energy: 1.5166708381363982
Energy: 1.6470746616180127
Energy: 1.7322226091655808
Energy: 1.5528945430966317
Energy: 1.4195410269407447
Energy: 1.691880983450946
Energy: 1.4770393810313172
Energy: 1.6181449088763284
Energy: 1.732222609167278
Energy: 1.5528945430955001
Energy: 1.4195410269418762
Energy: 1.6918809834481174
Energy: 1.4421304699180022
Energy: 1.5054412559880386
Energy: 1.4329393228291327
Energy: 1.552605625416861
Energy: 1.4174454561711392
Energy: 1.4726214938970528
Energy: 1.4421304699168707
Energy: 1.5054412559863413
Energy: 1.4329393228263039
Energy: 1.5526056254196898
Energy: 1.497666552351041
Energy: 1.4790481284495212
Energy: 1.4356160758025158
Energy: 1.613089140264659
Energy: 1.4819428918849207
Energy: 1.4922258921417486
Energy: 1.4976665523499095
Energy: 1.479048128447824
Energy: 1.435616075804779
Energy: 1.6130891402612646

minimum gb energy = 1.3680802675012322 eV
minimum distance =  2.21266498545035 Angstroms
sigma value = 75


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

Energy: 1.7924892598952107
Energy: 1.7287009486271963
Energy: 1.6404085187441915
Energy: 1.8040192776654165
Energy: 1.6416722877545058
Energy: 1.6931439630978065
Energy: 1.792489259895763
Energy: 1.7287009486271963
Energy: 1.640408518742811
Energy: 1.8040192776659687
Energy: 1.5526110319151063
Energy: 1.5434206528046375
Energy: 1.627560073028924
Energy: 1.8145100413996076
Energy: 1.6033621938680522
Energy: 1.5832839787303539
Energy: 1.5526110319159343
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Energy: 1.5247160293678799
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Energy: 1.4506514187243473
Energy: 1.610687454581214
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Energy: 1.4979322605308425
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Energy: 1.5362777346447072
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Energy: 1.473610440317348
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Energy: 1.68853652925662
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Energy: 1.65502110149117
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minimum gb energy = 1.4490129498935824 eV
minimum distance =  2.19761300167401 Angstroms
sigma value = 105


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

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Energy: 1.5866877510159145
Energy: 1.5450586416403513
Energy: 1.4467028662296437
Energy: 1.4722564611833473
Energy: 1.7175152524095931
Energy: 1.4380230368682945
Energy: 1.6912840378533796
Energy: 1.4533434316685663
Energy: 1.616724054594414
Energy: 1.5292113829612493
Energy: 1.487999647277238
Energy: 1.4817992427519402
Energy: 1.6912840378533796
Energy: 1.4533434316673206
Energy: 1.6167240545934798
Energy: 1.529211382960938
Energy: 1.448198174694412
Energy: 1.4533891926337186
Energy: 1.7958034272441443
Energy: 1.617924134462382
Energy: 1.8283102779164582
Energy: 1.7748869362788
Energy: 1.4481981746941004
Energy: 1.4533891926334073
Energy: 1.7958034272441443
Energy: 1.617924134463628
Energy: 1.6276899260349826
Energy: 1.4849847528069404
Energy: 1.5048020830687259
Energy: 1.6827533133426351
Energy: 1.6908390794734323
Energy: 1.528840252794337
Energy: 1.627689926036228
Energy: 1.4849847528056945
Energy: 1.504802083069632
Energy: 1.682753313344192
Energy: 1.7357608474859039
Energy: 1.4833261027572957
Energy: 1.5171020708339626
Energy: 1.4381714426421273
Energy: 1.7033299061978697
Energy: 1.48250871748345
Energy: 1.7357608474849695
Energy: 1.4833261027572957
Energy: 1.5171020708352083
Energy: 1.43817144264275
Energy: 1.4503123506013798
Energy: 1.5581456235391193
Energy: 1.492018236185074
Energy: 1.4791076420048583
Energy: 1.668688068293191
Energy: 1.459290377866288
Energy: 1.4503123506013798
Energy: 1.5581456235391193
Energy: 1.4920182361847625
Energy: 1.4791076420029898
Energy: 1.6531751477652414
Energy: 1.5312031754603552
Energy: 1.4922605299397196
Energy: 1.4879272741476384
Energy: 1.4988705035628767
Energy: 1.5841833603974322
Energy: 1.6531751477649297
Energy: 1.5312031754606668
Energy: 1.4922605299384737
Energy: 1.4879272741479497

minimum gb energy = 1.3744444173552337 eV
minimum distance =  2.20655388432789 Angstroms
sigma value = 165


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

Energy: 1.5353910899568965
Energy: 1.7439367769666763
Energy: 1.4740898625729637
Energy: 1.6563254055783896
Energy: 1.5081226798927458
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Energy: 1.7439367769666763
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Energy: 1.6563254055783896
Energy: 1.4988797699206262
Energy: 1.5790756944502027
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Energy: 1.3730510966936036
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Energy: 1.5236933614262473
Energy: 1.3999898901618684
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Energy: 1.5483655502569662
Energy: 1.4891219836341554
Energy: 1.762620829164338
Energy: 1.4458542697104286
Energy: 1.5670694246504446
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Energy: 1.743748617731854
Energy: 1.4891219836330865
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Energy: 1.4458542697093593
Energy: 1.5670694246504446
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Energy: 1.4129301506744072
Energy: 1.5892110563845059
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Energy: 1.6568160588625969
Energy: 1.512463567681891
Energy: 1.54077294584572
Energy: 1.3704376665870446
Energy: 1.5383405402873593
Energy: 1.484531176326882
Energy: 1.3996892432274595
Energy: 1.353786422618236
Energy: 1.3941733387072412
Energy: 1.3704376665870446
Energy: 1.5383405402884285
Energy: 1.484531176326882
Energy: 1.3996892432285286
Energy: 1.3718512693821405
Energy: 1.5011448646781398
Energy: 1.5975297079241801
Energy: 1.408740618200685
Energy: 1.6093293147849348
Energy: 1.475212325287235
Energy: 1.3718512693800022
Energy: 1.5011448646760015
Energy: 1.5975297079241801
Energy: 1.4087406181996163
Energy: 1.6234108420175428
Energy: 1.508377335932839
Energy: 1.6332473526051587
Energy: 1.4990632637133927
Energy: 1.4508817503744402
Energy: 1.39670165277915
Energy: 1.6234108420186122
Energy: 1.5083773359339083
Energy: 1.6332473526051587
Energy: 1.4990632637133927
Energy: 1.602032085412893
Energy: 1.5081226798916767
Energy: 1.7437127649033572
Energy: 1.5353910899568965
Energy: 1.7439367769666763
Energy: 1.4740898625729637
Energy: 1.6563254055783896
Energy: 1.5081226798916767
Energy: 1.7437127649033572
Energy: 1.5353910899568965

minimum gb energy = 1.3536828604725424 eV
minimum distance =  2.25770964206985 Angstroms
sigma value = 41


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

Energy: 1.7621221807344887
Energy: 1.7621833385934733
Energy: 1.3236073869535196
Energy: 1.8960469788670287
Energy: 1.3708489673315345
Energy: 1.6607221033267645
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Energy: 1.3212917812543412
Energy: 1.543097349988855
Energy: 1.4450774696387891
Energy: 1.2844963768939384
Energy: 1.2655477831051767
Energy: 1.5023163441227838
Energy: 1.32129178125766
Energy: 1.5430973499876104
Energy: 1.3147236630227108
Energy: 1.331174003932698
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Energy: 1.3273232258484924
Energy: 1.4148724630851368
Energy: 1.314723663026444
Energy: 1.3311740039314537
Energy: 1.4357524372748687
Energy: 1.2969963737060035
Energy: 1.531201597556208
Energy: 1.481507182203606
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Energy: 1.3240873655333825
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Energy: 1.3694989201373287
Energy: 1.6152632991837759
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Energy: 1.7604122194721477
Energy: 1.324087365535042
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Energy: 1.685561799446329
Energy: 1.3689431554084743
Energy: 1.3215324407375122
Energy: 1.4288758162371673
Energy: 1.3154089266841265
Energy: 1.3298749142563375
Energy: 1.4343680677880273
Energy: 1.3441607759736944
Energy: 1.37063606407553
Energy: 1.4288758162371673
Energy: 1.315408926683297
Energy: 1.3298749142588264
Energy: 1.4343680677863677
Energy: 1.3834735837197685
Energy: 1.3862876833275772
Energy: 1.615882606183737
Energy: 1.3179897416656663
Energy: 1.3409600596226205
Energy: 1.5003212337183607
Energy: 1.3834735837197685
Energy: 1.3862876833176216
Energy: 1.615882606186226
Energy: 1.3179897416656663
Energy: 1.363085039850409
Energy: 1.5969856036066783
Energy: 1.5637388753910944
Energy: 1.6905758341876629
Energy: 1.3176811895164107
Energy: 1.815219309007539
Energy: 1.3630850398495795
Energy: 1.5969856036066783
Energy: 1.5637388753948278
Energy: 1.6905758341893224
Energy: 1.2892099658753624
Energy: 1.3736175998942537
Energy: 1.663275808413272
Energy: 1.3680297090743971
Energy: 1.3225358072604445
Energy: 1.5153993097558225
Energy: 1.2892099658724585
Energy: 1.373617599896328
Energy: 1.6632758084149315
Energy: 1.3680297090731528
Energy: 1.2900797710444136
Energy: 1.4985053102755177
Energy: 1.3297419498900862
Energy: 1.3504500676666154
Energy: 1.4407440523349349
Energy: 1.3727096527345082
Energy: 1.2900797710419245
Energy: 1.4985053102767623
Energy: 1.329741949892575
Energy: 1.35045006766703
Energy: 1.5025294800898983
Energy: 1.3283701817920859
Energy: 1.390167836750926
Energy: 1.3139749683314184
Energy: 1.3214672792972213
Energy: 1.4177993731830487
Energy: 1.502529480093217
Energy: 1.3283701817920859
Energy: 1.3901678367521706
Energy: 1.3139749683330775
Energy: 1.5241800203990883
Energy: 1.368891022008484
Energy: 1.5904485122555019
Energy: 1.4302616109885562
Energy: 1.5229866819871456
Energy: 1.4928221537917448
Energy: 1.5241800204007476
Energy: 1.368891022008484
Energy: 1.5904485122579908
Energy: 1.430261610983993
Energy: 1.5397477735082041
Energy: 1.2886353548843335
Energy: 1.4292934564729953
Energy: 1.6389521645042902
Energy: 1.372632698022044
Energy: 1.4027733812968965
Energy: 1.5397477735090337
Energy: 1.2886353548872373
Energy: 1.4292934564692619
Energy: 1.6389521645034608

minimum gb energy = 1.2592198675047255 eV
minimum distance =  2.18366150414481 Angstroms
sigma value = 185


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

Energy: 1.8714868005654255
Energy: 1.5666817870879939
Energy: 1.6863632009494431
Energy: 1.8164966544446421
Energy: 1.6858780506086235
Energy: 1.5657001629379483
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Energy: 1.5666817870899636
Energy: 1.6863632009489509
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Energy: 1.743243171447551
Energy: 1.565129169547934
Energy: 1.3470709005761925
Energy: 1.478895663619607
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Energy: 1.407881573714608
Energy: 1.7432431714460737
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Energy: 1.3470709005742227
Energy: 1.478895663622069
Energy: 1.6208663229616669
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Energy: 1.6434053577703889
Energy: 1.3487567249502912
Energy: 1.4790095702250847
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Energy: 1.4853588924987022
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Energy: 1.3136320919434528
Energy: 1.5631728987663323
Energy: 1.4550827927222565
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Energy: 1.3590999955751328
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Energy: 1.5126166721861773
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Energy: 1.6872551000554101
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Energy: 1.6453941784183637
Energy: 1.492394002788608
Energy: 1.3470074816562094
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Energy: 1.4411863970810685
Energy: 1.668864547870144
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Energy: 1.4789633630602657
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Energy: 1.4789633630587884
Energy: 1.330427797622491
Energy: 1.8052899952226746
Energy: 1.6771230561608674
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Energy: 1.3543401171060792
Energy: 1.680718291457497
Energy: 1.3575745709219786
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Energy: 1.6771230561598827
Energy: 1.720967621655743
Energy: 1.3543401171041092
Energy: 1.6807182914579895
Energy: 1.4781463687927026
Energy: 1.3468801294711856
Energy: 1.5634769689062542
Energy: 1.5251611817202675
Energy: 1.402457045348845
Energy: 1.3560812158378845
Energy: 1.478146368793195
Energy: 1.3468801294721704
Energy: 1.5634769689042847
Energy: 1.5251611817197752
Energy: 1.7561331014846915
Energy: 1.6858234536371117
Energy: 1.4454178131145772
Energy: 1.700031136284544
Energy: 1.5666817870894711
Energy: 1.6863632009489509
Energy: 1.8252444095891713
Energy: 1.6858234536395738
Energy: 1.4454178131131001
Energy: 1.700031136284544
Energy: 1.4788956636215764
Energy: 1.3583765134943566
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Energy: 1.6610580916161195
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Energy: 1.358376513494849
Energy: 1.4024570453513072
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Energy: 1.6721072078619237
Energy: 1.3216761357875975
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Energy: 1.6208663229626514
Energy: 1.357958654388861
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Energy: 1.3216761357875975
Energy: 1.360609092555448
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Energy: 1.3511270663208865
Energy: 1.5428772403086826
Energy: 1.4387806571560395
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Energy: 1.3231844671814903
Energy: 1.4789173588965356
Energy: 1.3511270663208865
Energy: 1.542877240309667
Energy: 1.4387806571634258
Energy: 1.5628961044160492
Energy: 1.5824029971138147
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Energy: 1.9104235270585814
Energy: 1.3535855057955866
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Energy: 1.582402997116769
Energy: 1.8585033444729342
Energy: 1.5970930167833945
Energy: 1.9104235270590741
Energy: 1.3590999955756256
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Energy: 1.6002968560139355
Energy: 1.2946663483908114
Energy: 1.5631728987643625
Energy: 1.5620233921541915
Energy: 1.3590999955751328
Energy: 1.324489909403062
Energy: 1.6002968560139355
Energy: 1.2946663483903191
Energy: 1.408163424646962
Energy: 1.4083499221761397
Energy: 1.2968809350383341
Energy: 1.3619905646156691
Energy: 1.5097334293235136
Energy: 1.687231949473366
Energy: 1.4081634246479466
Energy: 1.408349922177617
Energy: 1.2968809350378419
Energy: 1.361990564618131
Energy: 1.900901564477294
Energy: 1.3858157551044001
Energy: 1.583001766060122
Energy: 1.6453941784188564
Energy: 1.5535591908028554
Energy: 1.3470038724278652
Energy: 1.9009015644768015
Energy: 1.3858157551029227
Energy: 1.5830017660606148
Energy: 1.6453941784193487
Energy: 1.893459501756659
Energy: 1.3300303014631847
Energy: 1.9020237705788445
Energy: 1.3523042817327522
Energy: 1.4789633630592807
Energy: 1.3304277976219985
Energy: 1.8934595017551819
Energy: 1.3300303014119736
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Energy: 1.3523042817317672
Energy: 1.6421647297125832
Energy: 1.3575745709205014
Energy: 1.32857628848158
Energy: 1.677123056160375
Energy: 1.7273815133699535
Energy: 1.3543401171050944
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Energy: 1.3285762884820722
Energy: 1.677123056160375
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Energy: 1.8714868005644407
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Energy: 1.5657001629369633
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Energy: 1.5666817870899636
Energy: 1.6863632009484586
Energy: 1.813801219002171
Energy: 1.743243171447551
Energy: 1.565129169547934
Energy: 1.3470709005761925
Energy: 1.4788956636200992
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Energy: 1.5651291695494112
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Energy: 1.688038030844316
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Energy: 1.3504846089388949
Energy: 1.6208663229621592
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Energy: 1.7273815133689687
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Energy: 1.6434053577703889
Energy: 1.3487567249502912
Energy: 1.4790095702250847
Energy: 1.3526256354889632
Energy: 1.6221336424332355
Energy: 1.4821767029647084
Energy: 1.6434053577728507
Energy: 1.348756724949799
Energy: 1.479009570227547
Energy: 1.3526256354899477
Energy: 1.9104235270600587
Energy: 1.353585505796079
Energy: 1.4853588925021488
Energy: 1.5824029971157842
Energy: 1.8376566605023779
Energy: 1.5435908248719907
Energy: 1.9104235270590741
Energy: 1.353585505796079
Energy: 1.4853588924996868
Energy: 1.5824029971162767
Energy: 1.3136320919434528
Energy: 1.5631728987653473
Energy: 1.455082792724719
Energy: 1.3590999955751328
Energy: 1.3159899640382964
Energy: 1.5453445296788417
Energy: 1.3136320919454225
Energy: 1.5631728987638702
Energy: 1.4550827927227492
Energy: 1.3590999955746406
Energy: 1.359165244037054
Energy: 1.5126166721866696
Energy: 1.6872551000573799
Energy: 1.4081634246459769
Energy: 1.4326777698686808
Energy: 1.296880935035872
Energy: 1.3591652440365616
Energy: 1.5126166721876546
Energy: 1.6872551000554101
Energy: 1.4081634246489316
Energy: 1.6453941784193487
Energy: 1.492394002788608
Energy: 1.3470074816567021
Energy: 1.899957061575534
Energy: 1.4411863970810685
Energy: 1.6688645478696518
Energy: 1.6453941784173791
Energy: 1.4923940027900853
Energy: 1.3470074816576867
Energy: 1.899957061576519
Energy: 1.35230428173226
Energy: 1.4789633630602657
Energy: 1.3304277976219985
Energy: 1.805289995223167
Energy: 1.4266817441250854
Energy: 1.9020237705783523
Energy: 1.3523042817327522
Energy: 1.4789633630592807
Energy: 1.330427797622491
Energy: 1.8052899952221824
Energy: 1.6771230561589425
Energy: 1.720967621652296
Energy: 1.354340117107064
Energy: 1.6807182914579895
Energy: 1.3575745709219786
Energy: 1.3459394867005317
Energy: 1.6771230561579575
Energy: 1.720967621655743
Energy: 1.3543401171046017
Energy: 1.6807182914579895
Energy: 1.4781463687927026
Energy: 1.346880129471678
Energy: 1.5634769689052697
Energy: 1.52516118172076
Energy: 1.4024570453483525
Energy: 1.3560812158378845
Energy: 1.4781463687936875
Energy: 1.3468801294721704
Energy: 1.5634769689062542
Energy: 1.5251611817202675

minimum gb energy = 1.2739699751257783 eV
minimum distance =  2.15537819506224 Angstroms
sigma value = 33


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

Energy: 1.5148286646430082
Energy: 1.5194672295616456
Energy: 1.5805367080694885
Energy: 1.7443707676175493
Energy: 1.5798134190703954
Energy: 1.519273113728431
Energy: 1.514828664643819
Energy: 1.5194672295629972
Energy: 1.5805367080692183
Energy: 1.70597678658115
Energy: 1.7195210126012561
Energy: 1.5013744587893023
Energy: 1.3412861682492987
Energy: 1.4140753168137967
Energy: 1.3630637363842284
Energy: 1.4340817662829817
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Energy: 1.5013744587887619
Energy: 1.3412861682498392
Energy: 1.414075316814878
Energy: 1.7688683894280723
Energy: 1.3333671290040618
Energy: 1.5656326955466953
Energy: 1.6933223392829095
Energy: 1.3669713864526307
Energy: 1.404581637147584
Energy: 1.7688683894288832
Energy: 1.333367129005684
Energy: 1.565632695546425
Energy: 1.6933223392823689
Energy: 1.4556334670913915
Energy: 1.3331367908286422
Energy: 1.3983175095897644
Energy: 1.5026762670525207
Energy: 1.5366053212400148
Energy: 1.7351687591841436
Energy: 1.4556334670930133
Energy: 1.3331367908289127
Energy: 1.398317509590305
Energy: 1.5026762670517098
Energy: 1.399232058013889
Energy: 1.3332011990179826
Energy: 1.4559175350746836
Energy: 1.6892548792487514
Energy: 1.536699552026714
Energy: 1.5028309744918507
Energy: 1.3992320580133484
Energy: 1.3332011990182528
Energy: 1.455917535075224
Energy: 1.6892548792509139
Energy: 1.7712821749499377
Energy: 1.3332373007182057
Energy: 1.7694053902622333
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Energy: 1.5705450216684214
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Energy: 1.50795910341773
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Energy: 1.5705450216686918
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Energy: 1.3631782438449516
Energy: 1.409378345111527
Energy: 1.7194324965207204
Energy: 1.700983661409144
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Energy: 1.4146872092374558
Energy: 1.363178243847655
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Energy: 1.7194324965220722
Energy: 1.7009836614088738
Energy: 1.367609624944453
Energy: 1.4044442213941064
Energy: 1.7698976660585028
Energy: 1.3335862857653051
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Energy: 1.6899883879080655
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Energy: 1.643115237916346
Energy: 1.3330902742158537
Energy: 1.5366371588688392
Energy: 1.500587471763161
Energy: 1.3991122537671405
Energy: 1.3326181858493615
Energy: 1.4556729440336664
Energy: 1.7044898165193514
Energy: 1.536637158870191
Energy: 1.5005874717626204
Energy: 1.3991122537657887
Energy: 1.3326181858485504
Energy: 1.3635286237730881
Energy: 1.7354903499031662
Energy: 1.7712718305360378
Energy: 1.3333876117771037
Energy: 1.769338309856041
Energy: 1.4054861504277956
Energy: 1.363528623773899
Energy: 1.7354903499053287
Energy: 1.7712718305357673
Energy: 1.3333876117760224
Energy: 1.3631200213104504
Energy: 1.4148784011249296
Energy: 1.5160182185701498
Energy: 1.4139596389953697
Energy: 1.7178472016603572
Energy: 1.427224912585405
Energy: 1.3631200213085581
Energy: 1.4148784011238482
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Energy: 1.4139596389945586
Energy: 1.3413728873279023
Energy: 1.4161787409046565
Energy: 1.5705348932437628
Energy: 1.5224024496175015
Energy: 1.512368785481819
Energy: 1.718428380810176
Energy: 1.3413728873257398
Energy: 1.4161787409068192
Energy: 1.570534893240519
Energy: 1.5224024496169606
Energy: 1.3415947423283778
Energy: 1.4157687298955386
Energy: 1.3630577033160174
Energy: 1.4087618079312532
Energy: 1.7089534986374348
Energy: 1.700831617452659
Energy: 1.3415947423264858
Energy: 1.415768729894457
Energy: 1.3630577033160174
Energy: 1.4087618079299016
Energy: 1.4502705282635553
Energy: 1.7034177590822481
Energy: 1.369425998474064
Energy: 1.4044803789813016
Energy: 1.399631696613228
Energy: 1.332438642752336
Energy: 1.4502705282635553
Energy: 1.7034177590814372
Energy: 1.369425998473523
Energy: 1.40448037898022
Energy: 1.3980132027966796
Energy: 1.5058092421242824
Energy: 1.6895417166324769
Energy: 1.3353808678350163
Energy: 1.734409316604716
Energy: 1.3332863933929386
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Energy: 1.6532431231740998
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Energy: 1.4055732200041366
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Energy: 1.3358407141713649
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Energy: 1.8041107014046946
Energy: 1.3980429344683638
Energy: 1.5008117440794444
Energy: 1.7202434328540397
Energy: 1.4907741399949002

minimum gb energy = 1.3240853553942429 eV
minimum distance =  2.20855493127195 Angstroms
sigma value = 219


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

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Energy: 1.6709149208443703
Energy: 1.5378280739025456
Energy: 1.7105294509990687
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Energy: 1.6661345153580263
Energy: 1.5729466212380083
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Energy: 1.6649254153544353
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Energy: 1.6661345153580263
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Energy: 1.462353099499725
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Energy: 1.4881624487394127
Energy: 1.4505476707367366
Energy: 1.5368895459484406
Energy: 1.5225330865359392
Energy: 1.4790775798964948

minimum gb energy = 1.3148487954093167 eV
minimum distance =  2.25325077621848 Angstroms
sigma value = 15


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

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Energy: 1.5227067331915478
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Energy: 1.618682282853582
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minimum gb energy = 1.5137215896370582 eV
minimum distance =  2.23162937085044 Angstroms
sigma value = 293


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

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Energy: 1.6566547130593139
Energy: 1.6075250602254412
Energy: 1.6435770148174687
Energy: 1.520540793835449
Energy: 1.5790322251125208
Energy: 1.5857139285170634
Energy: 1.5815072438142106
Energy: 1.6621075376680676
Energy: 1.6100892732777767
Energy: 1.5760477906014239
Energy: 1.5908164301199372
Energy: 1.7800181862399158
Energy: 1.5815072438134024
Energy: 1.6621075376668553
Energy: 1.6100892732781809
Energy: 1.5760477906014239
Energy: 1.8128206283832526
Energy: 1.6664098562932181
Energy: 1.5921648938583763
Energy: 1.6093422405884137
Energy: 1.5920651655858584
Energy: 1.6669172606506606
Energy: 1.8128206283840609
Energy: 1.6664098562932181
Energy: 1.592164893857568
Energy: 1.6093422405872013
Energy: 1.5870773061243368
Energy: 1.7695444323961866
Energy: 1.590725765412043
Energy: 1.5760222994911428
Energy: 1.610153700037555
Energy: 1.6625259916479724
Energy: 1.5870773061243368
Energy: 1.7695444323945702
Energy: 1.5907257654112348
Energy: 1.5760222994915472
Energy: 1.643568015910708
Energy: 1.607525515759518
Energy: 1.6565072988252456
Energy: 1.5856703427250158
Energy: 1.6149367601455238
Energy: 1.5204103820029682
Energy: 1.6435680159094954
Energy: 1.6075255157611346
Energy: 1.6565072988252456
Energy: 1.585670342725824
Energy: 1.6800456440473726
Energy: 1.608441078043083
Energy: 1.7887766204245963
Energy: 1.6937474124109277
Energy: 1.5976326604865592
Energy: 1.6861327427620427
Energy: 1.6800456440481808
Energy: 1.6084410780442584
Energy: 1.7887766204250002
Energy: 1.6937474124109277
Energy: 1.59909003970472
Energy: 1.7141458271744336
Energy: 1.6204526494279903
Energy: 1.603390729358764
Energy: 1.7464678568416778
Energy: 1.545349716618185
Energy: 1.5990900397051244
Energy: 1.7141458271756458
Energy: 1.6204526494267777
Energy: 1.6033907293595722
Energy: 1.5760890729329957
Energy: 1.5554709151861266
Energy: 1.6026381016555287
Energy: 1.8524549734466322
Energy: 1.614178768616524
Energy: 1.7617359968283985
Energy: 1.5760890729329957
Energy: 1.5554709151865307
Energy: 1.6026381016551248
Energy: 1.8524549734470364
Energy: 1.6003531363452084
Energy: 1.553337017196937
Energy: 1.650571480718813
Energy: 1.797933458116506
Energy: 1.613797660875118
Energy: 1.7308845272845608
Energy: 1.6003531363444001
Energy: 1.5533370171961287
Energy: 1.650571480718813
Energy: 1.7979334581161022
Energy: 1.6155756783146136
Energy: 1.617419008719731
Energy: 1.6173863132870974
Energy: 1.615564281015182
Energy: 1.574244040820919
Energy: 1.5740955307461333
Energy: 1.6155756783142095
Energy: 1.6174190087193268
Energy: 1.6173863132858852
Energy: 1.6155642810155861
Energy: 1.7980170486352707
Energy: 1.6504029076004145
Energy: 1.5532147325511283
Energy: 1.6003623059026164
Energy: 1.7309667870257246
Energy: 1.616036326351791
Energy: 1.7980170486352707
Energy: 1.6504029076004145
Energy: 1.5532147325511283
Energy: 1.6003623059026164
Energy: 1.8525129003617655
Energy: 1.602627294147033
Energy: 1.555541830153491
Energy: 1.5758951023476475
Energy: 1.7618214663024252
Energy: 1.61416894935807
Energy: 1.8525129003613614
Energy: 1.6026272941478412
Energy: 1.5555418301526827
Energy: 1.5758951023476475
Energy: 1.6032853000489513
Energy: 1.6210446210812086
Energy: 1.7141458271744336
Energy: 1.5992660929556093
Energy: 1.5449348369120974
Energy: 1.7464678568404655
Energy: 1.6032853000485472
Energy: 1.6210446210808045
Energy: 1.7141458271728172
Energy: 1.5992660929556093
Energy: 1.693611585872221
Energy: 1.7887476777908227
Energy: 1.608483183358739
Energy: 1.672452863508149
Energy: 1.6860816982703886
Energy: 1.5975794169858972
Energy: 1.6936115858710088
Energy: 1.788747677792035
Energy: 1.6084831833583348
Energy: 1.6724528635182514

minimum gb energy = 1.5204103820029682 eV
minimum distance =  2.21572704850421 Angstroms
sigma value = 293


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

Energy: 1.345010619883972
Energy: 1.7243481251321902
Energy: 1.4167921956432084
Energy: 1.9831105288877968
Energy: 1.4167747661886847
Energy: 1.7244132117294082
Energy: 1.3450106198847025
Energy: 1.7243481251314599
Energy: 1.4167921956439384
Energy: 1.7487546956020985
Energy: 1.4525497717561964
Energy: 1.9765856676662277
Energy: 1.4166244767239888
Energy: 1.867824432536663
Energy: 1.8172381249983975
Energy: 1.465068388769354
Energy: 1.4525497717569265
Energy: 1.7435369609355742
Energy: 1.4166244767232588
Energy: 1.8678244325373934
Energy: 1.4204396256980585
Energy: 1.3367721970850333
Energy: 1.858906406975343
Energy: 1.4217319596806135
Energy: 1.4789862378267227
Energy: 1.372804280566198
Energy: 1.420439625696598
Energy: 1.3367721970850333
Energy: 1.858906406975343
Energy: 1.421731959681344
Energy: 1.8588086173780112
Energy: 1.3362705543720965
Energy: 1.4206218061337383
Energy: 1.3728180578465963
Energy: 1.5253346655991358
Energy: 1.4218693818815071
Energy: 1.8588086173787415
Energy: 1.3362705543713658
Energy: 1.4206218061337383
Energy: 1.3728180578465963
Energy: 1.418124290268395
Energy: 1.9761673469696681
Energy: 1.4526361259977365
Energy: 1.465224413073117
Energy: 1.8171411056489162
Energy: 1.6438076043094432
Energy: 1.4181242902691251
Energy: 2.0263546899054528
Energy: 1.4526361259984668
Energy: 1.4652244130738474
Energy: 1.4167747661901453
Energy: 1.7244132117301385
Energy: 1.345010619883972
Energy: 1.7243481251307295
Energy: 1.4167921956432084
Energy: 1.7479478279298453
Energy: 1.4167747661886847
Energy: 1.7244132117294082
Energy: 1.3450106198847025
Energy: 1.7243481251321902
Energy: 1.8172381249983975
Energy: 1.4650683888212102
Energy: 1.4525497717561964
Energy: 2.031702475266203
Energy: 1.4166244767239888
Energy: 1.867824432536663
Energy: 1.8172381249983975
Energy: 1.4650683887153397
Energy: 1.4525497717561964
Energy: 1.8796196372127933
Energy: 1.4789862378259921
Energy: 1.372804280566198
Energy: 1.420439625696598
Energy: 1.3367721970850333
Energy: 1.8589064069760732
Energy: 1.4217319596806135
Energy: 1.4789862378245315
Energy: 1.372804280566198
Energy: 1.4204396256973284
Energy: 1.3367721970850333
Energy: 1.5253346655991358
Energy: 1.4218693818800465
Energy: 1.8588086173787415
Energy: 1.3362705543720965
Energy: 1.4206218061330076
Energy: 1.3728180578465963
Energy: 1.5253346655984055
Energy: 1.4218693818793162
Energy: 1.8588086173794718
Energy: 1.3362705543713658
Energy: 1.8171411056489162
Energy: 1.6438076043101737
Energy: 1.4181242902691251
Energy: 1.7787555385263587
Energy: 1.4526361259977365
Energy: 1.4652244130694985
Energy: 1.8171411056489162
Energy: 1.6438076043101737
Energy: 1.4181242902691251
Energy: 1.9031726811336933
Energy: 1.4167921956439384
Energy: 1.9988174245806025
Energy: 1.416774766189415
Energy: 1.7244132117301385
Energy: 1.3450106198847025
Energy: 1.7243481251314599
Energy: 1.4167921956432084
Energy: 1.772811552185136
Energy: 1.4167747661886847
Energy: 1.7244132117294082
Energy: 1.4166244767239888
Energy: 1.867824432536663
Energy: 1.8172381249983975
Energy: 1.4650683888102545
Energy: 1.4525497717561964
Energy: 2.031702475266934
Energy: 1.4166244767239888
Energy: 1.867824432536663
Energy: 1.8172381249983975
Energy: 1.465068388646718
Energy: 1.8589064069746124
Energy: 1.4217319596806135
Energy: 1.4789862378259921
Energy: 1.372804280566198
Energy: 1.4204396256973284
Energy: 1.3367721970850333
Energy: 1.858906406975343
Energy: 1.421731959681344
Energy: 1.4789862378252618
Energy: 1.3728042805654679
Energy: 1.4206218061330076
Energy: 1.3728180578458657
Energy: 1.5253346655991358
Energy: 1.4218693818807766
Energy: 1.8588086173787415
Energy: 1.3362705543713658
Energy: 1.4206218061322775
Energy: 1.3728180578465963
Energy: 1.5253346655991358
Energy: 1.4218693818800465
Energy: 1.4526361259977365
Energy: 1.4652244130680376
Energy: 1.8171411056481859
Energy: 1.6438076043094432
Energy: 1.418124290268395
Energy: 1.8185049525401251
Energy: 1.4526361259977365
Energy: 1.4652244130694985
Energy: 1.8171411056496467
Energy: 1.6438076043101737
Energy: 1.345010619883972
Energy: 1.7243481251299992
Energy: 1.4167921956439384
Energy: 1.8311615158094778
Energy: 1.416774766189415
Energy: 1.7244132117294082
Energy: 1.3450106198847025
Energy: 1.7243481251307295
Energy: 1.4167921956439384
Energy: 1.8311615158094778
Energy: 1.4525497717561964
Energy: 2.1287856760544948
Energy: 1.4166244767239888
Energy: 1.8678244325352023
Energy: 1.8172381249983975
Energy: 1.4650683889518799
Energy: 1.4525497717561964
Energy: 2.1287856760544948
Energy: 1.4166244767239888
Energy: 1.8678244325373934
Energy: 1.4204396256973284
Energy: 1.3367721970850333
Energy: 1.8589064069746124
Energy: 1.4217319596798832
Energy: 1.4789862378245315
Energy: 1.372804280566198
Energy: 1.420439625696598
Energy: 1.3367721970850333
Energy: 1.858906406975343
Energy: 1.421731959681344
Energy: 1.8588086173794718
Energy: 1.3362705543713658
Energy: 1.420621806135199
Energy: 1.3728180578465963
Energy: 1.5253346655991358
Energy: 1.4218693818822374
Energy: 1.8588086173794718
Energy: 1.3362705543720965
Energy: 1.4206218061337383
Energy: 1.3728180578465963
Energy: 1.4181242902691251
Energy: 1.8185049525393946
Energy: 1.4526361259977365
Energy: 1.4652244130643859
Energy: 1.8171411056489162
Energy: 1.6438076043101737
Energy: 1.4181242902691251
Energy: 1.8185049525393946
Energy: 1.4526361259984668
Energy: 1.4652244130673073
Energy: 1.4167747661901453
Energy: 1.724413211730869
Energy: 1.345010619883972
Energy: 1.7243481251314599
Energy: 1.4167921956432084
Energy: 1.8311615158087475
Energy: 1.4167747661886847
Energy: 1.7244132117301385
Energy: 1.3450106198847025
Energy: 1.7243481251329207
Energy: 1.8172381249983975
Energy: 1.4650683890686729
Energy: 1.4525497717561964
Energy: 2.1287856760559554
Energy: 1.4166244767239888
Energy: 1.867824432535933
Energy: 1.8172381249983975
Energy: 1.4650683890409522
Energy: 1.4525497717561964
Energy: 2.1287856760544948

minimum gb energy = 1.3362705543713658 eV
minimum distance =  2.27703304523914 Angstroms
sigma value = 15


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

Energy: 1.9215542721105228
Energy: 1.735904996311719
Energy: 1.5708783087799179
Energy: 2.072721320769164
Energy: 1.570890149697505
Energy: 1.7361402097969865
Energy: 1.9215542721101917
Energy: 1.7359049963123812
Energy: 1.5708783087799179
Energy: 2.0509689077734055
Energy: 1.6443127301036073
Energy: 1.6016095852187975
Energy: 1.577967861596304
Energy: 1.5452742910463881
Energy: 1.5705764242835323
Energy: 1.542980786853658
Energy: 1.644312730101952
Energy: 1.601609585220122
Energy: 1.577967861595973
Energy: 1.5452742910467192
Energy: 1.6298879754362137
Energy: 1.5850046963039042
Energy: 1.6968893147416197
Energy: 1.575767973328331
Energy: 1.7689889003528634
Energy: 1.736218307381656
Energy: 1.6298879754348892
Energy: 1.5850046963042352
Energy: 1.696889314716789
Energy: 1.5757679733280001
Energy: 1.654190116244429
Energy: 1.5371808383957346
Energy: 1.5607872591320502
Energy: 1.5792224083687867
Energy: 1.583072251867017
Energy: 1.5184074564035657
Energy: 1.654190116244098
Energy: 1.5371808383963967
Energy: 1.560787259132712
Energy: 1.5792224083694488
Energy: 1.606534038315507
Energy: 1.8111790298298307
Energy: 1.5428537145807795
Energy: 1.5802547492357764
Energy: 1.5216089532702848
Energy: 1.5116448056060128
Energy: 1.6065340383135205
Energy: 1.7651102564510448
Energy: 1.5428537145811103
Energy: 1.5802547492347832
Energy: 1.5913664694277014
Energy: 1.7306965688660476
Energy: 1.6893634165459865
Energy: 1.7944711211107178
Energy: 1.5436902040128218
Energy: 1.6401669878075926
Energy: 1.591366469429026
Energy: 1.7306965688670406
Energy: 1.6893634165466485
Energy: 1.7944711211107178
Energy: 1.7543359091949644
Energy: 1.4908278366247145
Energy: 1.4834760527110988
Energy: 1.5685746801808638
Energy: 1.5748767376858661
Energy: 1.586399014915938
Energy: 1.754335909194302
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Energy: 1.4834760527107678
Energy: 1.5685746801808638
Energy: 1.6628754159466876
Energy: 1.6587867816383128
Energy: 1.599098276790413
Energy: 1.6275171871153336
Energy: 1.6937140451937434
Energy: 1.5837230547442724
Energy: 1.6628754159463566
Energy: 1.6587867816095394
Energy: 1.599098276790413
Energy: 1.6275171871156644
Energy: 1.5772639524757326
Energy: 1.6534147694864587
Energy: 1.6288222059546398
Energy: 1.5642102150583692
Energy: 1.5142739455548793
Energy: 1.5039106241782743
Energy: 1.5772639524757326
Energy: 1.6534147694877828
Energy: 1.6288222059533157
Energy: 1.5642102150577069
Energy: 1.6329136360196066
Energy: 1.586125056707741
Energy: 1.6771436052594435
Energy: 1.7314960242756268
Energy: 1.564626114151192
Energy: 1.68455091643258
Energy: 1.6329136360199377
Energy: 1.586125056708734
Energy: 1.6771436052584503
Energy: 1.7314960242746333
Energy: 1.5331753499353753
Energy: 1.638168002325764
Energy: 1.50581375495694
Energy: 1.7150509287683595
Energy: 1.5856685477650023
Energy: 1.5693905273757733
Energy: 1.533175349934382
Energy: 1.638168002325433
Energy: 1.5058137549585953
Energy: 1.7150509287690217
Energy: 1.6194532317588637
Energy: 1.651749334603345
Energy: 1.8247799019156499
Energy: 1.538505233138548
Energy: 1.6064559950153998
Energy: 1.5326259671268716
Energy: 1.6194532317588637
Energy: 1.651749334603676
Energy: 1.824779901916312
Energy: 1.5385052331375546
Energy: 1.706966083579964
Energy: 1.575348660842963
Energy: 1.7271984905610724
Energy: 1.6256269942212156
Energy: 1.7448309781934812
Energy: 1.5323350135788767
Energy: 1.7069660835793017
Energy: 1.5753486608432938
Energy: 1.72719849056339
Energy: 1.625626994236776
Energy: 1.5891426880034827
Energy: 1.7426422242563206
Energy: 1.563783133932646
Energy: 1.6317522635438186
Energy: 1.5419059280721865
Energy: 1.5936138634092338
Energy: 1.5891426880031516
Energy: 1.7426422242556585
Energy: 1.563783133932315
Energy: 1.6317522635434876
Energy: 1.553640435458144
Energy: 1.7411709849164032
Energy: 1.6595222352678465
Energy: 1.5931329688279583
Energy: 1.6497671595645569
Energy: 1.7686181882884549
Energy: 1.553640435459137
Energy: 1.7411709849160721
Energy: 1.6595222352675154
Energy: 1.5931329688282896
Energy: 1.4854201720043656
Energy: 1.5698348580172377
Energy: 1.662852304137297
Energy: 1.7205659009130023
Energy: 1.555827706849537
Energy: 1.5699462943323677
Energy: 1.4854201720040345
Energy: 1.5698348580165755
Energy: 1.662852304137628
Energy: 1.7205659009123402
Energy: 1.6237439392322237
Energy: 1.6074636745085402
Energy: 1.5483073483124095
Energy: 1.6839976532400716
Energy: 1.714047660423541
Energy: 1.550843617353069
Energy: 1.6237439392332171
Energy: 1.6074636745095332
Energy: 1.5483073483100918
Energy: 1.683997653242389
Energy: 1.6526740923977559
Energy: 1.5528975410864776
Energy: 1.613826151436001
Energy: 1.5364795599004186
Energy: 1.7870190312241063
Energy: 1.6221543252785853
Energy: 1.6526740923980872
Energy: 1.5528975410868087
Energy: 1.6138261514366634
Energy: 1.5364795599014118
Energy: 1.4863289198583227
Energy: 1.7046094615246519
Energy: 1.6491703948574972
Energy: 1.7364549741347464
Energy: 1.543824273338946
Energy: 1.63408261911721
Energy: 1.4863289198569982
Energy: 1.7046094615243208
Energy: 1.6491703948584904
Energy: 1.7364549741337534
Energy: 1.5796059261157827
Energy: 1.5836651007420228
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Energy: 1.5836651007416918
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Energy: 1.7246555473958551
Energy: 1.5979329672359779
Energy: 1.5237320266866805
Energy: 1.5732717883000364
Energy: 1.5306847093215763
Energy: 1.6650819600230948
Energy: 1.5119323202022488
Energy: 1.597932967235316
Energy: 1.5237320266860184
Energy: 1.573271788299374
Energy: 1.5306847093219078
Energy: 1.8551944004239773
Energy: 1.5681349492187258
Energy: 1.7632639832235748
Energy: 1.6587368482550426
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Energy: 1.6895604476022905
Energy: 1.8551944004239773
Energy: 1.5681349492180634
Energy: 1.7632639832252304
Energy: 1.6587368482543803
Energy: 1.5879755354250866
Energy: 1.5476249840482004
Energy: 1.5718269613312652
Energy: 1.5597586606859093
Energy: 1.6451745653855439
Energy: 1.5404324865496009
Energy: 1.5879755354250866
Energy: 1.5476249840472072
Energy: 1.5718269613309341
Energy: 1.5597586606852472
Energy: 1.5757821876434062
Energy: 1.6743010432691823
Energy: 1.5897905432126562
Energy: 1.5383472318200522
Energy: 1.6587441177833488
Energy: 1.7201757046668573
Energy: 1.5757821876440683
Energy: 1.6743010432698442
Energy: 1.5897905432126562
Energy: 1.538347231820383
Energy: 1.5951342962942239
Energy: 1.5801515384347318
Energy: 1.4844454321173137
Energy: 1.5466933351128778
Energy: 1.4899302927683535
Energy: 1.6789494906514186
Energy: 1.5951342962942239
Energy: 1.5801515384347318
Energy: 1.4844454321173137
Energy: 1.5466933351142023
Energy: 1.793335901990832
Energy: 1.5407150311508289
Energy: 1.6612710808854236
Energy: 1.6328556785303487
Energy: 1.6925206438436815
Energy: 1.5830568915247314
Energy: 1.793335901991825
Energy: 1.5407150311508289
Energy: 1.6612710808857547
Energy: 1.6328556785313422
Energy: 1.6063501979987018
Energy: 1.5900170626932386
Energy: 1.5754976026899035
Energy: 1.5681905286381466
Energy: 1.6800792822062836
Energy: 1.5489086267017393
Energy: 1.6063501979973778
Energy: 1.5900170626929075
Energy: 1.5754976026902345
Energy: 1.5681905286384779
Energy: 1.5103901021904884
Energy: 1.5836923040234432
Energy: 1.538056751549919
Energy: 1.5160182965479785
Energy: 1.5542077526072666
Energy: 1.7478260195852595
Energy: 1.5103901021908197
Energy: 1.583692304023112
Energy: 1.5380567515509123
Energy: 1.5160182965483096
Energy: 1.8271993916892584
Energy: 1.737376568105789
Energy: 1.5789239159229438
Energy: 1.8599712993807542
Energy: 1.604805001205222
Energy: 1.6308650953396762
Energy: 1.827199391688265
Energy: 1.7373765681061204
Energy: 1.5789239159232749
Energy: 1.8599712993824096
Energy: 1.4735930645725024
Energy: 1.6606560407923319
Energy: 1.5776499489931681
Energy: 1.5706165590298546
Energy: 1.6519131155462554
Energy: 1.5632153926287258
Energy: 1.4735930645728335
Energy: 1.6606560407933249
Energy: 1.5776499489931681
Energy: 1.5706165590301857
Energy: 1.6531662411161847
Energy: 1.6131044390684206
Energy: 1.8599919225818553
Energy: 1.5855876588611464
Energy: 1.668267498120849
Energy: 1.8294740914771606
Energy: 1.6531662411165158
Energy: 1.613104439067096
Energy: 1.8599919225636459
Energy: 1.5855876588604843
Energy: 1.8090537599485623
Energy: 1.5581355435627222
Energy: 1.537796645808613
Energy: 1.4817665965914202
Energy: 1.5862767893017389
Energy: 1.561084399624487
Energy: 1.8090537599488934
Energy: 1.558135543561729
Energy: 1.5377966458072885
Energy: 1.4817665965910891
Energy: 1.5530937937779232
Energy: 1.6576383594654756
Energy: 1.5777371186045306
Energy: 1.5559668361671481
Energy: 1.6604561150383195
Energy: 1.609026274475825
Energy: 1.5530937937765987
Energy: 1.6576383594648132
Energy: 1.5777371186041995
Energy: 1.5559668361701278
Energy: 1.5809626952479836
Energy: 1.6959238888886723
Energy: 1.6382011920628952
Energy: 1.541744693395607
Energy: 1.534337764884502
Energy: 1.642551008088082
Energy: 1.580962695248315
Energy: 1.6959238888886723
Energy: 1.638201192062233
Energy: 1.541744693395607
Energy: 1.7693037191177592
Energy: 1.4660738114105707
Energy: 1.5954869484458414
Energy: 1.4704488682727896
Energy: 1.6244255941345223
Energy: 1.6140829046462004
Energy: 1.7693037191187522
Energy: 1.4660738114092462
Energy: 1.5954869484461724
Energy: 1.4704488682727896
Energy: 1.719114256618541
Energy: 1.7583970635618824
Energy: 1.6681769069453947
Energy: 1.5998567855141688
Energy: 1.6655459070873226
Energy: 1.5646362875051703
Energy: 1.719114256618872
Energy: 1.7583970635622135
Energy: 1.6681769069457257
Energy: 1.5998567855138377
Energy: 1.5394006141517216
Energy: 1.5635701699277793
Energy: 1.660009669489646
Energy: 1.5623572468525244
Energy: 1.5889711243071285
Energy: 1.6757833538788374
Energy: 1.5394006141513905
Energy: 1.5635701699277793
Energy: 1.660009669489646
Energy: 1.5623572468525244
Energy: 1.7077898167386834
Energy: 1.6250527756842426
Energy: 1.6526938147040497
Energy: 1.7521226427065395
Energy: 1.5772637867533057
Energy: 1.7385764967676332
Energy: 1.7077898167386834
Energy: 1.6250527756849047
Energy: 1.652693814704381
Energy: 1.7521226427078638
Energy: 1.5992152480185322
Energy: 1.7020034974159102
Energy: 1.5676767326468488
Energy: 1.5119904536250564
Energy: 1.538508173221478
Energy: 1.584418170536288
Energy: 1.5992152480188633
Energy: 1.7020034974155793
Energy: 1.5676767326485042
Energy: 1.5119904536253874
Energy: 1.5297047465872435
Energy: 1.6775776699038327
Energy: 1.7317848748477134
Energy: 1.5630616984477348
Energy: 1.5764767678371314
Energy: 1.5863815624621689
Energy: 1.529704746587906
Energy: 1.6775776699038327
Energy: 1.731784874846389
Energy: 1.5630616984477348
Energy: 1.6713528030049385
Energy: 1.5529446268089362
Energy: 1.7863867487189506
Energy: 1.621755248496868
Energy: 1.6091857771689573
Energy: 1.5404563663866473
Energy: 1.6713528030029519
Energy: 1.552944626808274
Energy: 1.7863867487189506
Energy: 1.6217552484955435
Energy: 1.6278040643795404
Energy: 1.78473075459838
Energy: 1.4675196218441213
Energy: 1.607011272807622
Energy: 1.4839139180584557
Energy: 1.6275578519533171
Energy: 1.6278040643795404
Energy: 1.7847307546006976
Energy: 1.4675196218437903
Energy: 1.6070112728082842
Energy: 1.5671044684274125
Energy: 1.754033741830063
Energy: 1.6782134060969496
Energy: 1.5955861385174253
Energy: 1.5826538106930796
Energy: 1.5978411441352487
Energy: 1.5671044684267503
Energy: 1.754033741829732
Energy: 1.678213406097281
Energy: 1.5955861385161008
Energy: 1.5902269420097401
Energy: 1.5725125954671881
Energy: 1.7445813993186077
Energy: 1.6534510246437184
Energy: 1.5732245320203038
Energy: 1.5380494615480511
Energy: 1.590226942009409
Energy: 1.572512595466857
Energy: 1.7445813993182768
Energy: 1.653451024645043
Energy: 1.8544278134480612
Energy: 1.6651858413747251
Energy: 1.5975196563764131
Energy: 1.6298298490294392
Energy: 1.7391948212148878
Energy: 1.5612714434896935
Energy: 1.8544278134480612
Energy: 1.665185841374394
Energy: 1.5975196563750886
Energy: 1.6298298490317567
Energy: 1.5982440208161126
Energy: 1.5351512604510746
Energy: 1.6224189390694528
Energy: 1.5333187237476256
Energy: 1.6827257470154404
Energy: 1.5232880058237939
Energy: 1.5982440208144573
Energy: 1.5351512604517368
Energy: 1.6224189390697838
Energy: 1.5333187237466326
Energy: 1.5862703224780628
Energy: 1.6631429884229285
Energy: 1.659139548134006
Energy: 1.7991603708330566
Energy: 1.5661940563965988
Energy: 1.6381014137730765
Energy: 1.5862703224777317
Energy: 1.6631429884225974
Energy: 1.6591395481323508
Energy: 1.7991603708327253
Energy: 1.467439181320343
Energy: 1.6579279542317213
Energy: 1.5617886487374402
Energy: 1.912125150329697
Energy: 1.6344879058405692
Energy: 1.6310226310354388
Energy: 1.4674391813196808
Energy: 1.6579279542310594
Energy: 1.5617886487367778
Energy: 1.912125150330028
Energy: 1.5469000032418607
Energy: 1.6201953097922688
Energy: 1.6982281731773838
Energy: 1.5573192101202462
Energy: 1.6237229266903341
Energy: 1.4889607588784326
Energy: 1.546900003242192
Energy: 1.6201953097922688
Energy: 1.698228173177715
Energy: 1.5573192101215705

minimum gb energy = 1.4660738114092462 eV
minimum distance =  2.25619831397126 Angstroms
sigma value = 437


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

Energy: 1.6035811381887448
Energy: 1.7934978315573507
Energy: 1.5163509338839796
Energy: 1.9437790709251521
Energy: 1.5162508314119165
Energy: 1.793396106618493
Energy: 1.6035811381887448
Energy: 1.7934978315549384
Energy: 1.5163509338851857
Energy: 1.7722061655696806
Energy: 1.463003947359219
Energy: 1.9059691916102253
Energy: 1.5049675686474528
Energy: 1.494395529126517
Energy: 1.6678772646769437
Energy: 1.495849808970526
Energy: 1.463003947359219
Energy: 1.9059691916102253
Energy: 1.5049675686462467
Energy: 1.4943955291241044
Energy: 1.420857467353832
Energy: 1.567950878985613
Energy: 1.6683519488972989
Energy: 1.5610069364518118
Energy: 1.556920905805176
Energy: 1.5772386110056225
Energy: 1.420857467353832
Energy: 1.567950878986819
Energy: 1.6683519523610795
Energy: 1.5610069364518118
Energy: 1.9701233726365677
Energy: 1.5696749494317939
Energy: 1.4678126743049125
Energy: 1.4697396132121208
Energy: 1.523854634415703
Energy: 1.4764033151252745
Energy: 1.9701233726365677
Energy: 1.5696749494293813
Energy: 1.4678126743049125
Energy: 1.4697396132109146
Energy: 1.5094445682826914
Energy: 1.70446280142491
Energy: 1.5647945829155094
Energy: 1.546924869212281
Energy: 1.38758483121367
Energy: 1.5216304418827995
Energy: 1.5094445682838977
Energy: 1.5593983303989931
Energy: 1.564794582914303
Energy: 1.5469248692098687
Energy: 1.5042886784499296
Energy: 1.7327225000899191
Energy: 1.5603395286931894
Energy: 1.4308129325660075
Energy: 1.5621997414780036
Energy: 1.6101886563337402
Energy: 1.5042886784499296
Energy: 1.7327225000899191
Energy: 1.5603395286907773
Energy: 1.4308129325635952
Energy: 1.8595053267731718
Energy: 1.5848350430405231
Energy: 1.5404529850758921
Energy: 1.4527949212684677
Energy: 1.8058501200867572
Energy: 1.6018376603970799
Energy: 1.8595053267731718
Energy: 1.5848350430417293
Energy: 1.540452985074686
Energy: 1.4527949212696736
Energy: 1.5483520644356528
Energy: 1.5926181318951527
Energy: 1.7803369427626619
Energy: 1.4700345808193953
Energy: 1.667293902788225
Energy: 1.5586014675728397
Energy: 1.5483520644356528
Energy: 1.5926181318927404
Energy: 1.780336942763868
Energy: 1.470034580818189
Energy: 1.4371097598162041
Energy: 1.568722237486237
Energy: 1.832051582960278
Energy: 1.7956804481428894
Energy: 1.5152962830109105
Energy: 1.7775748393739976
Energy: 1.4371097598174103
Energy: 1.5687222374886491
Energy: 1.832051582960278
Energy: 1.7956804481416833
Energy: 1.4994732299160574
Energy: 1.531804345903172
Energy: 1.477341470520605
Energy: 1.5588858504204144
Energy: 1.5537401931646033
Energy: 1.7553508313340676
Energy: 1.4994732299172633
Energy: 1.531804345903172
Energy: 1.4773414705230172
Energy: 1.5588858504192082
Energy: 1.6895933039905497
Energy: 1.4773577501548154
Energy: 1.5333337082318321
Energy: 1.4865963623627452
Energy: 1.5492285946398805
Energy: 1.5674008762856122
Energy: 1.6895933039881372
Energy: 1.4773577501524027
Energy: 1.5333337082342444
Energy: 1.4865963623651577
Energy: 1.3502477464024687
Energy: 1.639292947480618
Energy: 1.7400427268108696
Energy: 1.5366716523319954
Energy: 1.7399122483413094
Energy: 1.6396654997074058
Energy: 1.3502477464024687
Energy: 1.6392929474830304
Energy: 1.7400427268108696
Energy: 1.5366716523319954
Energy: 1.7122403104946786
Energy: 1.5676349111907106
Energy: 1.5492285946398805
Energy: 1.4880640499318556
Energy: 1.533208880526183
Energy: 1.4774764779977907
Energy: 1.712240310492266
Energy: 1.5676349111895045
Energy: 1.5492285946410866
Energy: 1.4880640499318556
Energy: 1.702755331509598
Energy: 1.7552825292086531
Energy: 1.5537041108030938
Energy: 1.5594195506612067
Energy: 1.5604553501376621
Energy: 1.5313913079182873
Energy: 1.702755331509598
Energy: 1.7552825292086531
Energy: 1.5537041108006813
Energy: 1.5594195506600008

minimum gb energy = 1.3502477464024687 eV
minimum distance =  2.29084866860058 Angstroms
sigma value = 33