Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
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=2.855324625968933
cohesive_energy=4.122759316665687
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.01564361714209726
Energy: 0.5026690461401228
Energy: 0.01564361714209726
Energy: 0.5026690461417189
Energy: 0.01564361714209726
Energy: 0.5026690461397122
Energy: 0.01564361714209726
Energy: 0.016472751475402937
Energy: 0.5596080475937868
Energy: 0.016472751475402937
Energy: 0.5596080475933763
Energy: 0.016472751475402937
Energy: 0.5596080475937868
Energy: 0.016472751475015302
Energy: 0.4143901363892838
Energy: 0.5478986067020638
Energy: 0.4143901363876877
Energy: 0.5478986069499682
Energy: 0.4143901363892838
Energy: 0.5478986064505567
Energy: 0.4143901363888733
Energy: 0.01647275147622381
Energy: 0.5596080475921679
Energy: 0.016472751475813376
Energy: 0.5596080475917803
Energy: 0.01647275147622381
Energy: 0.5596080475921679
Energy: 0.016472751475813376
Energy: 0.01564361714209726
Energy: 0.5026690461397122
Energy: 0.01564361714209726
Energy: 0.5026690461401228
Energy: 0.01564361714209726
Energy: 0.5026690461401228
Energy: 0.01564361714209726
Energy: 0.01647275147622381
Energy: 0.5596080475925783
Energy: 0.016472751475813376
Energy: 0.5596080475917803
Energy: 0.01647275147622381
Energy: 0.5596080475921679
Energy: 0.016472751475813376

minimum gb energy = 0.01564361714209726 eV
minimum distance =  2.46848317968466 Angstroms
sigma value = 5


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

Energy: 1.2708901056006277
Energy: 1.673549901302111
Energy: 1.2708901055981763
Energy: 1.67354990130015
Energy: 1.270890105601118
Energy: 1.6735499013026016
Energy: 1.2708901055986666
Energy: 1.242216990224556
Energy: 1.2035684290143853
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Energy: 1.203568429013895
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Energy: 1.2422169902221045
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Energy: 1.236601593805499
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Energy: 1.2366015938040282
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Energy: 1.2366015938059893
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Energy: 1.2446209354026616
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Energy: 1.2446209354021711
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Energy: 1.3012601709996274
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Energy: 1.2469421063117356
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Energy: 1.2469421063171289
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Energy: 1.1666600048426214
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Energy: 1.2791921016388426
Energy: 1.2480348712000207
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Energy: 1.2480348712034526
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Energy: 1.165804150217894
Energy: 1.1577217941862643
Energy: 1.1658041502218164
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Energy: 1.1658041502174037
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Energy: 1.2121298781226384
Energy: 1.1972296742015514
Energy: 1.2121298781231287
Energy: 1.19722967419959
Energy: 1.2121298781221481
Energy: 1.1972296742015514
Energy: 1.2429176749519557
Energy: 1.2927459328837325
Energy: 1.242917674957349
Energy: 1.2927459328852033
Energy: 1.2429176749519557
Energy: 1.2927459328837325
Energy: 1.2429176749568587
Energy: 1.1743282679240274
Energy: 1.2604267710013326
Energy: 1.1743282679205955
Energy: 1.2604267710003518
Energy: 1.1743282679240274
Energy: 1.2604267710013326
Energy: 1.1743282679205955
Energy: 1.1598500618032734
Energy: 1.2560468794137263
Energy: 1.1598500617998415
Energy: 1.256046879411275
Energy: 1.1598500618032734
Energy: 1.2560468794137263
Energy: 1.1598500617998415
Energy: 1.1637838729150503
Energy: 1.2268559508978525
Energy: 1.1637838729194627
Energy: 1.2268559509003039
Energy: 1.1637838729150503
Energy: 1.226855950897362
Energy: 1.1637838729199532
Energy: 1.1900754936349602
Energy: 1.238709087380585
Energy: 1.1900754936334894
Energy: 1.238709087383527
Energy: 1.1900754936349602
Energy: 1.238709087380585
Energy: 1.1900754936334894

minimum gb energy = 1.1427502082760865 eV
minimum distance =  2.26354351372962 Angstroms
sigma value = 401


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

Energy: 1.3532296415028005
Energy: 1.3306466718916021
Energy: 1.2681341443007228
Energy: 1.3306466718899326
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Energy: 1.2609413289760283
Energy: 1.3393981448849603
Energy: 1.2609565564384224
Energy: 1.339660916159285
Energy: 1.2609413289721325
Energy: 1.3393981448832908
Energy: 1.2609565564334138
Energy: 1.2075457679544577
Energy: 1.3105966402504114
Energy: 1.2075423305583883
Energy: 1.3105966402481852
Energy: 1.207545767958353
Energy: 1.3105966402448461
Energy: 1.2075423305622839
Energy: 1.2298907836192392
Energy: 1.3389527069086782
Energy: 1.2298894440782928
Energy: 1.3389527069092346
Energy: 1.2298907836214652
Energy: 1.3389527069131304
Energy: 1.229889444081632
Energy: 1.1941000883359667
Energy: 1.2307961118673345
Energy: 1.1941000883381927
Energy: 1.2307961118678914
Energy: 1.194100088340419
Energy: 1.2307961118701176
Energy: 1.1941000883365231
Energy: 1.1909881023376374
Energy: 1.2186716243606814
Energy: 1.1909881023376374
Energy: 1.218671624362351
Energy: 1.1909881023376374
Energy: 1.2186716243629077
Energy: 1.1909881023354114
Energy: 1.268134144294601
Energy: 1.3306466718899326
Energy: 1.2681341442984966
Energy: 1.33064667188715
Energy: 1.2681341442929313
Energy: 1.3306466718888195
Energy: 1.2681341442979401
Energy: 1.1917940192015744
Energy: 1.2182256073352675
Energy: 1.1917940192049135
Energy: 1.2183435446834325
Energy: 1.1917940192071397
Energy: 1.21822560733805
Energy: 1.1917940192071397

minimum gb energy = 1.1909881023348547 eV
minimum distance =  2.27911032950674 Angstroms
sigma value = 311


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

Energy: 1.2608376909973034
Energy: 1.2601782856684618
Energy: 1.2130650903028148
Energy: 1.3296371674291005
Energy: 1.2608376909953756
Energy: 1.2601782856671766
Energy: 1.2130650903015296
Energy: 1.1965904221502266
Energy: 1.1955147669005997
Energy: 1.2038780177360053
Energy: 1.2637764877614033
Energy: 1.1965904221534398
Energy: 1.195514766899957
Energy: 1.2038780177360053
Energy: 1.1798420612836202
Energy: 1.226781671618953
Energy: 1.1797775819691403
Energy: 1.3190917099315682
Energy: 1.1798420612836202
Energy: 1.2267816716234514
Energy: 1.1797775819697829
Energy: 1.341739226148599
Energy: 1.2893857427823014
Energy: 1.3340391749877731
Energy: 1.289385742782944
Energy: 1.3417392261505268
Energy: 1.2893857427823014
Energy: 1.3340391749871303
Energy: 1.3108578597050076
Energy: 1.3166635717148751
Energy: 1.3108412081705687
Energy: 1.3166635717142325
Energy: 1.310857859704365
Energy: 1.3166635717142325
Energy: 1.3108412081705687
Energy: 1.1954311883759268
Energy: 1.2984954371212456
Energy: 1.1954311883765694
Energy: 1.2984954371218884
Energy: 1.1954311883759268
Energy: 1.2984954371231736
Energy: 1.1954311883752842
Energy: 1.2008498751282926
Energy: 1.293908183410956
Energy: 1.2008498751295777
Energy: 1.2939081834103134
Energy: 1.2008498751295777
Energy: 1.2939081834096708
Energy: 1.2008498751302206
Energy: 1.2863156347443856
Energy: 1.2660077384779098
Energy: 1.286315634745671
Energy: 1.2660077384779098
Energy: 1.2863156347443856
Energy: 1.2660077384785524
Energy: 1.2863156347450282
Energy: 1.262683798412455
Energy: 1.2760898345217981
Energy: 1.2626837984111698
Energy: 1.2760898345211555
Energy: 1.2626837984079566
Energy: 1.2760898345198703
Energy: 1.2626837984092418
Energy: 1.1730782206203332
Energy: 1.3255200687371198
Energy: 1.1730722900046955
Energy: 1.3255289950758526
Energy: 1.1730782206203332
Energy: 1.3255200687326214
Energy: 1.1730722900066233
Energy: 1.1781187017134753
Energy: 1.3293909774373123
Energy: 1.1781227719063663
Energy: 1.3293768231505678
Energy: 1.1781187017147605
Energy: 1.3293909774373123
Energy: 1.1781227719050809
Energy: 1.3127290636660809
Energy: 1.3446245058049815
Energy: 1.3127290636667235
Energy: 1.344499592833565
Energy: 1.3127290636667235
Energy: 1.3446245058030537
Energy: 1.3127290636667235
Energy: 1.2458720749132186
Energy: 1.3245067525540997
Energy: 1.245872074912576
Energy: 1.3245067525553849
Energy: 1.2458720749119336
Energy: 1.3245067525560275
Energy: 1.2458720749132186
Energy: 1.1769328610989225
Energy: 1.2123002908855778
Energy: 1.1769328611008503
Energy: 1.2123002908849352
Energy: 1.176932861100208
Energy: 1.2123002908836498
Energy: 1.176932861100208
Energy: 1.2349132104505345
Energy: 1.3013801071980802
Energy: 1.234913210449249
Energy: 1.3013801071942246
Energy: 1.2349132104498919
Energy: 1.3013801071942246
Energy: 1.2349132104486067
Energy: 1.2083480679679237
Energy: 1.30532741258949
Energy: 1.208348067969209
Energy: 1.305327412587562
Energy: 1.208348067969209
Energy: 1.30532741258949
Energy: 1.2083480679685663
Energy: 1.2612256152612664
Energy: 1.1952952769216179
Energy: 1.2610005584286865
Energy: 1.1952952769216179
Energy: 1.2612256152638368
Energy: 1.1952952769222605
Energy: 1.2610005584267587
Energy: 1.2094712623844999
Energy: 1.187356635308807
Energy: 1.209471772888928
Energy: 1.1873310140207687
Energy: 1.2094712623851425
Energy: 1.1873566353081644
Energy: 1.2094717728902133
Energy: 1.3268719863772203
Energy: 1.3403299184777966
Energy: 1.339687932708461
Energy: 1.3403299184777966
Energy: 1.3268719863785057
Energy: 1.340329918477154
Energy: 1.3396879327097462
Energy: 1.2989360595748938
Energy: 1.356050108983897
Energy: 1.2806384791704808
Energy: 1.3539544581852176
Energy: 1.2989360595768216
Energy: 1.3560501089826116
Energy: 1.2806384791724088
Energy: 1.1770510289081597
Energy: 1.2104589551106046
Energy: 1.177051028909445
Energy: 1.2104589551093197
Energy: 1.1770510289107303
Energy: 1.21045895511189
Energy: 1.1770510289088025
Energy: 1.2030574078219445
Energy: 1.2085144853125325
Energy: 1.203057407822587
Energy: 1.2081253441260886
Energy: 1.2030574078232297
Energy: 1.2085144853138179
Energy: 1.203057407822587
Energy: 1.3613838595048442
Energy: 1.2580746331714205
Energy: 1.2898406669980504
Energy: 1.3269439845631086
Energy: 1.3613838595061294
Energy: 1.2580746331720631
Energy: 1.2898406669974078
Energy: 1.3103710213667688
Energy: 1.296219690851494
Energy: 1.2788156960534485
Energy: 1.3842773546988714
Energy: 1.3103710213654836
Energy: 1.2962196908508514
Energy: 1.2788156960534485
Energy: 1.1877744010127294
Energy: 1.2229826889691575
Energy: 1.1878913897714498
Energy: 1.3121669339824273
Energy: 1.1877744010127294
Energy: 1.2229826889698001
Energy: 1.1878913897753054
Energy: 1.2961249898472456
Energy: 1.2873026725755523
Energy: 1.3002003747353919
Energy: 1.2640708972675645
Energy: 1.2961249898491738
Energy: 1.287302672574267
Energy: 1.3002003747360344
Energy: 1.3872276796896792
Energy: 1.2940276761548484
Energy: 1.3769443151711651
Energy: 1.2940276761548484
Energy: 1.3872276796883938
Energy: 1.2940276761561336
Energy: 1.3769443151705223
Energy: 1.305683632385267
Energy: 1.345598966332775
Energy: 1.3056836323871948
Energy: 1.3455989663321324
Energy: 1.305683632383339
Energy: 1.3455989663321324
Energy: 1.3056836323859096
Energy: 1.2023284974297461
Energy: 1.1868647406567137
Energy: 1.2023284974291035
Energy: 1.186864740656071
Energy: 1.202328497426533
Energy: 1.1868647406541428
Energy: 1.2023284974310313
Energy: 1.2682263571860761
Energy: 1.3055622649597618
Energy: 1.268226357188004
Energy: 1.3048853932892108
Energy: 1.268226357188004
Energy: 1.3055622649816108
Energy: 1.2682263571867187
Energy: 1.3103301404338568
Energy: 1.258053605740217
Energy: 1.3103301404332142
Energy: 1.2580536057395741
Energy: 1.3103301404364274
Energy: 1.2580536057376464
Energy: 1.3103301404344996
Energy: 1.2037726683372916
Energy: 1.3196560427365407
Energy: 1.203513603672853
Energy: 1.3196321692998803
Energy: 1.2037726683379344
Energy: 1.3196560427371833
Energy: 1.2035136036734955
Energy: 1.1828762017704855
Energy: 1.2148698276849177
Energy: 1.182878388473701
Energy: 1.2148697309143848
Energy: 1.182876201771128
Energy: 1.2148698276836325
Energy: 1.1828783884730585
Energy: 1.2765595591488195
Energy: 1.3962883865821594
Energy: 1.2765595591475343
Energy: 1.395754318246357
Energy: 1.2765595591468917
Energy: 1.3962883865795888
Energy: 1.2765595591475343
Energy: 1.3542615543186038
Energy: 1.4139648796272457
Energy: 1.3168638358326326
Energy: 1.4139539796463128
Energy: 1.3542615543192462
Energy: 1.413964879628531
Energy: 1.3168638358345313
Energy: 1.1761907044842497
Energy: 1.208462349088932
Energy: 1.176190704485535
Energy: 1.2084623490882893
Energy: 1.1761907044848923
Energy: 1.2084623490882893
Energy: 1.1761907044861775

minimum gb energy = 1.1730722900046955 eV
minimum distance =  2.24696579534526 Angstroms
sigma value = 39


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

Energy: 1.1941193727801636
Energy: 1.218830726332785
Energy: 1.194119372780922
Energy: 1.2188307263320268
Energy: 1.1941193727801636
Energy: 1.218830726332785
Energy: 1.194119372780922
Energy: 1.2363869370243277
Energy: 1.1230845739869342
Energy: 1.2363869370273615
Energy: 1.1230845739854174
Energy: 1.2363869370250864
Energy: 1.1230845739869342
Energy: 1.2363869370273615
Energy: 1.1869631366694402
Energy: 1.139724852759279
Energy: 1.1869631366717155
Energy: 1.1397248527585206
Energy: 1.1869631366694402
Energy: 1.139724852759279
Energy: 1.1869631366717155
Energy: 1.237796311172093
Energy: 1.1370505510227282
Energy: 1.2377963111675425
Energy: 1.1370505510212112
Energy: 1.2377963111705759
Energy: 1.1370505510227282
Energy: 1.2377963111683006
Energy: 1.240345075563874
Energy: 1.1230502260873905
Energy: 1.2403450755615988
Energy: 1.1230502260873905
Energy: 1.2403450755631154
Energy: 1.123050226088149
Energy: 1.2403450755615988
Energy: 1.240332502417599
Energy: 1.1231676572713618
Energy: 1.2403325024168406
Energy: 1.1231676572713618
Energy: 1.240332502417599
Energy: 1.1231676572721199
Energy: 1.2403325024168406
Energy: 1.2373248307513875
Energy: 1.1410984508061282
Energy: 1.2373248307506293
Energy: 1.1410984508084034
Energy: 1.237324830752146
Energy: 1.1410984508061282
Energy: 1.2373248307529046
Energy: 1.2172874040453399
Energy: 1.1382730536661085
Energy: 1.2172874040468566
Energy: 1.1382730536615584
Energy: 1.2172874040445814
Energy: 1.138273053664592
Energy: 1.2172874040476152
Energy: 1.2624540624240745
Energy: 1.1231021765299927
Energy: 1.2624540624225578
Energy: 1.1231021765299927
Energy: 1.262454062424833
Energy: 1.1231021765299927
Energy: 1.2624540624225578
Energy: 1.193528765457938
Energy: 1.2195505022129565
Energy: 1.1935287654602134
Energy: 1.2195505022129565
Energy: 1.19352876545718
Energy: 1.2195505022129565
Energy: 1.1935287654602134
Energy: 1.248349300177621
Energy: 1.1392949913824137
Energy: 1.2483493001791377
Energy: 1.139294991383172
Energy: 1.2483493001768624
Energy: 1.1392949913816555
Energy: 1.2483493001791377
Energy: 1.2009784548712394
Energy: 1.1382351565603184
Energy: 1.2009784548719977
Energy: 1.1382351565588014
Energy: 1.2009784548712394
Energy: 1.1382351565603184
Energy: 1.2009784548719977
Energy: 1.3056639662890366
Energy: 1.1307088882957366
Energy: 1.3056639662913119
Energy: 1.130708888291186
Energy: 1.3056639662897949
Energy: 1.1307088882957366
Energy: 1.3056639662913119
Energy: 1.2009986840517342
Energy: 1.1385061539305328
Energy: 1.2009986840517342
Energy: 1.1385061539335664
Energy: 1.2009986840509754
Energy: 1.138506153931291
Energy: 1.2009986840517342
Energy: 1.2242888607874582
Energy: 1.2044601373389914
Energy: 1.2242888607866997
Energy: 1.2044601373389914
Energy: 1.2242888607874582
Energy: 1.2044601373389914
Energy: 1.2242888607866997
Energy: 1.200936620043421
Energy: 1.1384305556397594
Energy: 1.2009366200426626
Energy: 1.1384305556420347
Energy: 1.200936620043421
Energy: 1.1384305556397594
Energy: 1.2009366200426626
Energy: 1.3057182054877516
Energy: 1.1306657372116407
Energy: 1.3057182054892684
Energy: 1.1306657372116407
Energy: 1.3057182054877516
Energy: 1.1306657372116407
Energy: 1.3057182054892684
Energy: 1.2009143804545415
Energy: 1.1382056722909957
Energy: 1.2009143804545415
Energy: 1.1382056722887204
Energy: 1.2009143804545415
Energy: 1.1382056722902372
Energy: 1.2009143804545415
Energy: 1.2373691617735982
Energy: 1.1420604062246766
Energy: 1.2373691617743567
Energy: 1.1420604062261934
Energy: 1.23736916177284
Energy: 1.1420604062261934
Energy: 1.2373691617743567
Energy: 1.1935122928294772
Energy: 1.2195767565146172
Energy: 1.193512292828719
Energy: 1.2195767565168925
Energy: 1.1935122928294772
Energy: 1.2195767565153757
Energy: 1.1935122928279602
Energy: 1.2628513329037614
Energy: 1.1230356551092637
Energy: 1.262851332905278
Energy: 1.1230356551085052
Energy: 1.2628513329037614
Energy: 1.1230356551092637
Energy: 1.2628513329060365
Energy: 1.2171345989460263
Energy: 1.1382539226707666
Energy: 1.2171345989452678
Energy: 1.1382539226722832
Energy: 1.2171345989452678
Energy: 1.1382539226707666
Energy: 1.2171345989452678
Energy: 1.2371485610654755
Energy: 1.14156379143375
Energy: 1.2371485610685096
Energy: 1.14156379143375
Energy: 1.2371485610677508
Energy: 1.1415637914329915
Energy: 1.2371485610662343
Energy: 1.240313095708169
Energy: 1.1231556520082062
Energy: 1.2403130957066517
Energy: 1.1231556520089645
Energy: 1.2403130957074104
Energy: 1.1231556520082062
Energy: 1.2403130957066517
Energy: 1.2401277820620316
Energy: 1.1230468176787978
Energy: 1.2401277820642722
Energy: 1.123046817678039
Energy: 1.2401277820650305
Energy: 1.1230468176787978
Energy: 1.240127782065789
Energy: 1.2370907443932118
Energy: 1.1370953122794931
Energy: 1.2370907443916952
Energy: 1.1370953122764593
Energy: 1.2370907443916952
Energy: 1.1370953122794931
Energy: 1.2370907443924533
Energy: 1.1870532415726927
Energy: 1.1397967923321977
Energy: 1.1870532415704174
Energy: 1.1397967923314392
Energy: 1.1870532415726927
Energy: 1.1397967923321977
Energy: 1.1870532415704174
Energy: 1.2363307466529025
Energy: 1.1230819590959769
Energy: 1.2363307466551778
Energy: 1.1230819590952186
Energy: 1.2363307466521443
Energy: 1.1230819590967354
Energy: 1.2363307466551778
Energy: 1.1941193727786468
Energy: 1.218830726332785
Energy: 1.1941193727794053
Energy: 1.2188307263320268
Energy: 1.1941193727778883
Energy: 1.218830726332785
Energy: 1.1941193727794053
Energy: 1.2363869370220524
Energy: 1.1230845739869342
Energy: 1.2363869370250864
Energy: 1.1230845739854174
Energy: 1.236386937022811
Energy: 1.1230845739869342
Energy: 1.2363869370250864

minimum gb energy = 1.1230356551085052 eV
minimum distance =  2.23506286650109 Angstroms
sigma value = 21


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

Energy: 1.2480099142737426
Energy: 1.276952483680357
Energy: 1.248009914275584
Energy: 1.2769524836812776
Energy: 1.2480099142737426
Energy: 1.2769524836812776
Energy: 1.248009914275584
Energy: 1.1217068076408712
Energy: 1.0925367581870464
Energy: 1.1217068076408712
Energy: 1.092536758187967
Energy: 1.1217068076408712
Energy: 1.092536758187967
Energy: 1.1217068076408712
Energy: 1.2611344889056944
Energy: 1.1620614010650185
Energy: 1.261134488906615
Energy: 1.1620614010650185
Energy: 1.2611344889056944
Energy: 1.1620614010650185
Energy: 1.261134488906615
Energy: 1.123604017705488
Energy: 1.0950478536477344
Energy: 1.1236040177045672
Energy: 1.0950478536486552
Energy: 1.1236040177064084
Energy: 1.0950478536477344
Energy: 1.1236040177045672
Energy: 1.054043689186435
Energy: 1.1381293628178437
Energy: 1.054043689186435
Energy: 1.1381293628196854
Energy: 1.054043689186435
Energy: 1.1381293628178437
Energy: 1.054043689186435
Energy: 1.067825587223862
Energy: 1.098767471382695
Energy: 1.067825587223862
Energy: 1.098767471382695
Energy: 1.067825587223862
Energy: 1.098767471382695
Energy: 1.0678255872247828
Energy: 1.0706931050434685
Energy: 1.156041172345457
Energy: 1.0706931050425477
Energy: 1.1560411723463775
Energy: 1.0706931050434685
Energy: 1.156041172345457
Energy: 1.0706931050425477
Energy: 1.067838021613768
Energy: 1.08166901575392
Energy: 1.0678380216146888
Energy: 1.08166901575392
Energy: 1.0678380216146888
Energy: 1.08166901575392
Energy: 1.0678380216146888
Energy: 1.115340498028693
Energy: 1.081771504404038
Energy: 1.1153404980296135
Energy: 1.0817715044049583
Energy: 1.115340498028693
Energy: 1.081771504404038
Energy: 1.1153404980296135
Energy: 1.07137757416588
Energy: 1.1356606888365608
Energy: 1.0713775741668008
Energy: 1.1356606888282745
Energy: 1.07137757416588
Energy: 1.1356606888282745
Energy: 1.0713775741668008
Energy: 1.0603112955931566
Energy: 1.1013915956815683
Energy: 1.0603112955931566
Energy: 1.1013915956824887
Energy: 1.0603112955931566
Energy: 1.1013915956815683
Energy: 1.060311295592236
Energy: 1.053349685119913
Energy: 1.1293202430466338
Energy: 1.053349685121754
Energy: 1.1293202430475544
Energy: 1.053349685119913
Energy: 1.1293202430466338
Energy: 1.053349685121754
Energy: 1.1068068397292667
Energy: 1.0854487018553947
Energy: 1.1068068397311084
Energy: 1.0854487018553947
Energy: 1.1068068397292667
Energy: 1.0854487018553947
Energy: 1.1068068397311084
Energy: 1.1631147319980095
Energy: 1.1625472685086877
Energy: 1.1631147319970887
Energy: 1.1625472685096083
Energy: 1.1631147319980095
Energy: 1.1625472685077671
Energy: 1.1631147319970887
Energy: 1.1199287700112772
Energy: 1.1005689599296422
Energy: 1.1199287700112772
Energy: 1.1005689599287214
Energy: 1.1199287700112772
Energy: 1.1005689599296422
Energy: 1.1199287700112772
Energy: 1.2388957183928881
Energy: 1.2120564783502716
Energy: 1.2388957183928881
Energy: 1.2120564783484304
Energy: 1.2388957183928881
Energy: 1.2120564783502716
Energy: 1.2388957183928881
Energy: 1.145370142022913
Energy: 1.1058383219560701
Energy: 1.1453701420238336
Energy: 1.1058383219569907
Energy: 1.145370142022913
Energy: 1.1058383219579115
Energy: 1.1453701420247542
Energy: 1.1631320309308815
Energy: 1.1623930508206952
Energy: 1.1631320309299609
Energy: 1.1623930508105886
Energy: 1.1631320309308815
Energy: 1.1623930508160918
Energy: 1.1631320309299609
Energy: 1.1436010715873177
Energy: 1.1006641040866572
Energy: 1.1436010715873177
Energy: 1.1006641040866572
Energy: 1.1436010715873177
Energy: 1.1006641040866572
Energy: 1.1436010715873177
Energy: 1.053333919211565
Energy: 1.0932484329951486
Energy: 1.053333919211565
Energy: 1.0932484329951486
Energy: 1.053333919211565
Energy: 1.0932484329951486
Energy: 1.053333919211565
Energy: 1.1053615451649403
Energy: 1.1705796851955914
Energy: 1.1053615451640195
Energy: 1.1705796851955914
Energy: 1.1053615451649403
Energy: 1.170579685196512
Energy: 1.1053615451640195
Energy: 1.0748618270473944
Energy: 1.1566814075961458
Energy: 1.0748618270483152
Energy: 1.1566814075970664
Energy: 1.0748618270483152
Energy: 1.1566814075961458
Energy: 1.0748618270483152
Energy: 1.1383857576427807
Energy: 1.1006482902144628
Energy: 1.1383857576427807
Energy: 1.1006482902144628
Energy: 1.1383857576427807
Energy: 1.1006482902144628
Energy: 1.1383857576427807
Energy: 1.1177493495175743
Energy: 1.0921909762688238
Energy: 1.1177493495175743
Energy: 1.092190976267903
Energy: 1.1177493495175743
Energy: 1.0921909762688238
Energy: 1.1177493495175743
Energy: 1.1008821531976063
Energy: 1.1559459984187204
Energy: 1.1008821531976063
Energy: 1.1559459984187204
Energy: 1.1008821531976063
Energy: 1.1559459984187204
Energy: 1.1008821531976063

minimum gb energy = 1.053333919211565 eV
minimum distance =  2.28116237652869 Angstroms
sigma value = 113


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

Energy: 1.052424586559356
Energy: 1.1025154783324032
Energy: 1.0524245865603836
Energy: 1.1025154783406246
Energy: 1.052424586559356
Energy: 1.1025154783313755
Energy: 1.0524245865583286
Energy: 1.0149989356834015
Energy: 0.9570474649231694
Energy: 1.0149989356854565
Energy: 0.9570474649226555
Energy: 1.0149989356828877
Energy: 0.9570474649231694
Energy: 1.0149989356844291
Energy: 1.0285166964340846
Energy: 0.9936269264919463
Energy: 1.0285166964310015
Energy: 0.993626926489891
Energy: 1.0285166964345984
Energy: 0.9936269264929741
Energy: 1.0285166964310015
Energy: 0.972023767616161
Energy: 0.9709913252460675
Energy: 0.9720237676192439
Energy: 0.9709913252450396
Energy: 0.9720237676166747
Energy: 0.9709913252465812
Energy: 0.9720237676202715
Energy: 0.9897643371848688
Energy: 1.0278958321224474
Energy: 0.9897643371822996
Energy: 1.0278958321291272
Energy: 0.9897643371843549
Energy: 1.027895832122961
Energy: 0.9897643371822996
Energy: 0.9650563797653127
Energy: 0.9558451519259324
Energy: 0.9650563797693766
Energy: 0.9558451519249048
Energy: 0.9650563797653127
Energy: 0.9558451519264464
Energy: 0.9650563797693766
Energy: 0.9805134870343007
Energy: 0.9809962058322413
Energy: 0.9805134870368698
Energy: 0.9809962058404628
Energy: 0.9805134870338336
Energy: 0.980996205835838
Energy: 0.9805134870373837
Energy: 0.968045985827864
Energy: 0.9391542505496161
Energy: 0.968045985827864
Energy: 0.9391542505485886
Energy: 0.968045985827864
Energy: 0.9391542505491023
Energy: 0.968045985827864
Energy: 0.9601973635661079
Energy: 0.9720682108968003
Energy: 0.9601973635676494
Energy: 0.972068210897314
Energy: 0.9601973635702186
Energy: 0.9720682108962865
Energy: 0.9601973635671355
Energy: 0.9728023971972558
Energy: 0.9223768526308177
Energy: 0.9728023971921641
Energy: 0.9223768526333869
Energy: 0.9728023971977695
Energy: 0.9223768526313315
Energy: 0.9728023971926779
Energy: 0.9519173227910094
Energy: 0.9390638604982973
Energy: 0.9519173227899819
Energy: 0.939063860501894
Energy: 0.9519173227910094
Energy: 0.9390638604993249
Energy: 0.9519173227894678
Energy: 0.9868898916359758
Energy: 0.9508640177335408
Energy: 0.9868898916370035
Energy: 0.9508640177335408
Energy: 0.9868898916359758
Energy: 0.9508640177340546
Energy: 0.9868898916375174
Energy: 0.9015513881913151
Energy: 0.9879554821256238
Energy: 0.9015513881923429
Energy: 0.9879554821235685
Energy: 0.901551388191829
Energy: 0.9879554821251101
Energy: 0.9015513881928566
Energy: 0.953741641521161
Energy: 0.9210504180643451
Energy: 0.9537416415191058
Energy: 0.9210504180653728
Energy: 0.953741641521161
Energy: 0.9210504180638313
Energy: 0.9537416415191058
Energy: 0.9409225719544824
Energy: 0.9123896227147004
Energy: 0.9409225719513994
Energy: 0.9123896227111035
Energy: 0.9409225719544824
Energy: 0.9123896227147004
Energy: 0.9409225719513994
Energy: 1.0066596623840884
Energy: 0.9901872557439806
Energy: 1.0066596623866573
Energy: 0.9901872557444945
Energy: 1.0066596623846022
Energy: 0.9901872557450084
Energy: 1.0066596623861437
Energy: 0.9010176682777924
Energy: 0.9205617519987845
Energy: 0.9010176682798476
Energy: 0.920561752003409
Energy: 0.9010176682798476
Energy: 0.9205617519992983
Energy: 0.901017668281903
Energy: 0.9650980900592755
Energy: 0.9367189317614889
Energy: 0.9650980900587616
Energy: 0.9367189317594337
Energy: 0.9650980900587616
Energy: 0.9367189317614889
Energy: 0.9650980900587616
Energy: 0.9544150581407395
Energy: 0.9148375248732975
Energy: 0.9544150581397118
Energy: 0.9148375248655902
Energy: 0.9544150581397118
Energy: 0.9148375248732975
Energy: 0.9544150581402256
Energy: 0.9599850659436315
Energy: 0.9980091050170645
Energy: 0.9599850659492837
Energy: 0.9980091050139814
Energy: 0.9599850659441455
Energy: 0.9980091050165505
Energy: 0.95998506594877
Energy: 0.9554126285815558
Energy: 0.92042865802983
Energy: 0.9554126285820698
Energy: 0.9204286580303439
Energy: 0.9554126285800145
Energy: 0.9204286580303439
Energy: 0.9554126285815558
Energy: 0.9865003799289589
Energy: 0.9565698727088536
Energy: 0.9865003799284451
Energy: 0.9565698727078259
Energy: 0.9865003799289589
Energy: 0.9565698727093674
Energy: 0.9865003799284451
Energy: 0.9597253237915507
Energy: 0.974482136390425
Energy: 0.9597253237925785
Energy: 0.9744821363939751
Energy: 0.9597253237915507
Energy: 0.9744821363909387
Energy: 0.9597253237925785
Energy: 0.9623409672546746
Energy: 1.0239127894263433
Energy: 0.962340967253133
Energy: 1.0239127894242879
Energy: 0.9623409672546746
Energy: 1.0239127894248017
Energy: 0.962340967253133
Energy: 0.9443210022723797
Energy: 0.9682572522630366
Energy: 0.94432100228985
Energy: 0.9682572522625226
Energy: 0.9443210022718657
Energy: 0.9682572522625226
Energy: 0.9443210022667742
Energy: 1.0199130175577567
Energy: 0.9644319387561504
Energy: 1.0199130175546736
Energy: 0.9644319387566642
Energy: 1.0199130175582705
Energy: 0.9644319387561504
Energy: 1.0199130175551874
Energy: 1.0187325314296867
Energy: 0.9568462178634966
Energy: 1.0187325314235207
Energy: 0.9568462178706904
Energy: 1.0187325314296867
Energy: 0.9568462178629827
Energy: 1.0187325314240345
Energy: 1.0413384538640995
Energy: 1.0679762698440443
Energy: 1.0413384538625583
Energy: 1.0679762697408106
Energy: 1.0413384538635857
Energy: 1.067976269922661
Energy: 1.0413384538630719
Energy: 1.075656417605186
Energy: 0.9576923000213853
Energy: 1.0756564176170043
Energy: 0.9576923000239543
Energy: 1.0756564176092966
Energy: 0.9576923000224128
Energy: 1.0756564176031307
Energy: 1.0095706678292726
Energy: 0.964320296561727
Energy: 1.0095706678261898
Energy: 0.9643202965596717
Energy: 1.009570667828759
Energy: 0.9643202965612133
Energy: 1.0095706678251621
Energy: 0.977527720583067
Energy: 1.1129343081450438
Energy: 0.9775277205861033
Energy: 1.1129343081465854
Energy: 0.9775277205815256
Energy: 1.1129343081450438
Energy: 0.9775277205866171
Energy: 0.9632808237690103
Energy: 1.00162789394969
Energy: 0.9632808237674688
Energy: 1.0016278939163374
Energy: 0.9632808237695242
Energy: 1.0016278939902832
Energy: 0.9632808237700379
Energy: 1.0403635082377596
Energy: 0.9550152394223552
Energy: 1.0403635082346765
Energy: 0.955015239417217
Energy: 1.0403635082377596
Energy: 0.9550152394218415
Energy: 1.0403635082321072
Energy: 0.9717018169020608
Energy: 0.9626322593365656
Energy: 0.9717018169082269
Energy: 0.962632259332455
Energy: 0.9717018169020608
Energy: 0.9626322593370795
Energy: 0.9717018169087407
Energy: 0.9702260714784331
Energy: 1.0583820464125577
Energy: 0.9702260714758639
Energy: 1.0583820464156408
Energy: 0.9702260714789469
Energy: 1.0583820464125577
Energy: 0.9702260714758639
Energy: 0.9347579373811841
Energy: 0.9901694112615713
Energy: 0.9347579373791287
Energy: 0.9901694112625989
Energy: 0.9347579373811841
Energy: 0.9901694112600299
Energy: 0.9347579373791287
Energy: 0.9405132781216813
Energy: 0.9211434772043551
Energy: 0.9405132781216813
Energy: 0.9211434772028135
Energy: 0.9405132781232227
Energy: 0.9211434772043551
Energy: 0.9405132781216813
Energy: 0.9605382590218391
Energy: 0.9180530180904795
Energy: 0.9605382590223529
Energy: 0.9180530180930487
Energy: 0.9605382590213252
Energy: 0.9180530180904795
Energy: 0.9605382590218391
Energy: 0.9473135232132505
Energy: 0.9693583338673045
Energy: 0.9473135232127368
Energy: 0.9693583338637076
Energy: 0.9473135232132505
Energy: 0.9693583338673045
Energy: 0.9473135232127368
Energy: 0.9013731215655669
Energy: 1.0021496275646422
Energy: 0.9013731215671084
Energy: 1.0021496275636144
Energy: 0.9013731215655669
Energy: 1.0021496275641282
Energy: 0.9013731215671084
Energy: 0.9405843846306344
Energy: 0.9199302973203622
Energy: 0.9405843846275512
Energy: 0.9199302973198484
Energy: 0.9405843846301205
Energy: 0.9199302973208761
Energy: 0.9405843846270375
Energy: 0.9454291029490567
Energy: 0.9125284243960381
Energy: 0.9454291029480288
Energy: 0.912528424392955
Energy: 0.9454291029485428
Energy: 0.9125284243960381
Energy: 0.9454291029480288
Energy: 0.9332989131557594
Energy: 0.9881130705537235
Energy: 0.9332989131598701
Energy: 0.9881130705578341
Energy: 0.9332989131557594
Energy: 0.9881130705573203
Energy: 0.9332989131593562
Energy: 0.9021958621189963
Energy: 0.9195864847467435
Energy: 0.9021958621148856
Energy: 0.9195864847400638
Energy: 0.9021958621179685
Energy: 0.9195864847462297
Energy: 0.9021958621143717
Energy: 0.9322099612046862
Energy: 0.9342878476299391
Energy: 0.9322099612016032
Energy: 0.9342878476309667
Energy: 0.9322099612046862
Energy: 0.9342878476304528
Energy: 0.932209961202117

minimum gb energy = 0.9010176682777924 eV
minimum distance =  2.26929371582169 Angstroms
sigma value = 365


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

Energy: 0.39984001917913076
Energy: 0.3225677014899461
Energy: 0.3998400191768137
Energy: 0.3225677014911047
Energy: 0.39984001917913076
Energy: 0.3225677014899461
Energy: 0.3998400191768137
Energy: 1.9293511628659483
Energy: 1.0606792661325728
Energy: 1.9293507703682042
Energy: 1.0606792661325728
Energy: 1.9293509311861101
Energy: 1.0606792661325728
Energy: 1.9293507783015762
Energy: 0.39984001917797224
Energy: 0.32256770148878766
Energy: 0.39984001917913076
Energy: 0.32256770148878766
Energy: 0.39984001917797224
Energy: 0.3225677014899461
Energy: 0.39984001917913076
Energy: 2.5860867240233714
Energy: 1.0606792661325728
Energy: 2.58608614221891
Energy: 1.0606792661325728
Energy: 2.586084089498649
Energy: 1.0606792661325728
Energy: 2.5860833503977076
Energy: 0.39984001917797224
Energy: 0.3225677014899461
Energy: 0.39984001917913076
Energy: 0.32256770148878766
Energy: 0.39984001917797224
Energy: 0.3225677014899461
Energy: 0.39984001917913076
Energy: 1.9293517258114128
Energy: 1.0606792661337312
Energy: 1.9293516756091593
Energy: 1.0606792661325728
Energy: 1.9293515402415238
Energy: 1.0606792661325728
Energy: 1.9293516183848543
Energy: 0.39984001917913076
Energy: 0.3225677014899461
Energy: 0.3998400191768137
Energy: 0.3225677014911047
Energy: 0.39984001917913076
Energy: 0.3225677014899461
Energy: 0.3998400191768137
Energy: 1.8959613681683005
Energy: 1.0606792661337312
Energy: 1.8959614016260606
Energy: 1.0606792661337312
Energy: 1.8959623578520481
Energy: 1.0606792661337312
Energy: 1.8959655927241166
Energy: 0.39984001917797224
Energy: 0.3225677014899461
Energy: 0.39984001917913076
Energy: 0.32256770148878766
Energy: 0.39984001917797224
Energy: 0.3225677014899461
Energy: 0.39984001917913076
Energy: 1.9293514754057524
Energy: 1.0606792661325728
Energy: 1.92935162728052
Energy: 1.0606792661314406
Energy: 1.9293512390592296
Energy: 1.0606792661314406
Energy: 1.9293510602079962
Energy: 0.39984001917797224
Energy: 0.32256770148878766
Energy: 0.39984001917913076
Energy: 0.32256770148878766
Energy: 0.39984001917797224
Energy: 0.32256770148878766
Energy: 0.39984001917913076
Energy: 1.8959707069447966
Energy: 1.0606792661337312
Energy: 1.8959647447306365
Energy: 1.0606792661325728
Energy: 1.895961100246926
Energy: 1.0606792661337312
Energy: 1.8959625947220036
Energy: 0.39984001917913076
Energy: 0.3225677014899461
Energy: 0.3998400191768137
Energy: 0.3225677014911047
Energy: 0.39984001917913076
Energy: 0.3225677014899461
Energy: 0.3998400191768137
Energy: 1.8959678998983713
Energy: 1.0606792661325728
Energy: 1.8959648082705967
Energy: 1.0606792661337312
Energy: 1.8959623542669308
Energy: 1.0606792661337312
Energy: 1.8959728530602824
Energy: 0.39984001917797224
Energy: 0.3225677014899461
Energy: 0.39984001917913076
Energy: 0.32256770148878766
Energy: 0.39984001917797224
Energy: 0.32256770148878766
Energy: 0.39984001917913076
Energy: 1.8959605804307158
Energy: 1.0606792661325728
Energy: 1.8959621785399154
Energy: 1.0606792661325728
Energy: 1.89596090793637
Energy: 1.0606792661314406
Energy: 1.8959626344873088
Energy: 0.39984001917797224
Energy: 0.3225677014899461
Energy: 0.39984001917913076
Energy: 0.3225677014899461
Energy: 0.39984001917797224
Energy: 0.3225677014899461
Energy: 0.39984001917913076
Energy: 1.895964595497228
Energy: 1.0606792661325728
Energy: 1.8959644307896504
Energy: 1.0606792661325728
Energy: 1.8959658266099277
Energy: 1.0606792661325728
Energy: 1.8959609516886349
Energy: 0.39984001917913076
Energy: 0.3225677014899461
Energy: 0.3998400191768137
Energy: 0.3225677014899461
Energy: 0.39984001917913076
Energy: 0.3225677014899461
Energy: 0.3998400191768137
Energy: 1.895964584014626
Energy: 1.0606792661325728
Energy: 1.8959657003104693
Energy: 1.0606792661337312
Energy: 1.89596495548908
Energy: 1.0606792661325728
Energy: 1.8959665948527868

minimum gb energy = 0.32256770148878766 eV
minimum distance =  2.2555752158256 Angstroms
sigma value = 23