Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002
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=2.863657325506211
cohesive_energy=4.29033744093271
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.8556409774987998e-19, 2.4558483881278797e-19, 3.6251489391537603e-19, 4.0814328227506194e-19, 4.466163497873039e-19, 4.7975577128496e-19, 5.086766617052939e-19, 5.34122431006482e-19, 5.56616990947842e-19, 5.765528748047039e-19, 5.94229689607626e-19, 6.09886159675074e-19, 6.23712944026494e-19, 6.35868658148652e-19, 6.4648628270216995e-19, 6.55679572228062e-19, 6.63543055147734e-19, 6.70161646822788e-19, 6.756106495550219e-19, 6.799525482331619e-19, 6.83246623392666e-19, 6.85544144685822e-19, 6.8689317741165e-19, 6.87333775986e-19, 6.868579295257019e-19, 6.8531503342715995e-19, 6.825224395540979e-19, 6.78207777878736e-19, 6.72084258783588e-19, 6.638154251755139e-19, 6.52978302423138e-19, 6.390537852970439e-19, 6.21410616203436e-19, 5.99265330768288e-19, 5.716470099513959e-19, 5.37333192981018e-19, 4.94780983758612e-19, 4.42026113730894e-19, 3.7653714381614393e-19, 2.95007181441786e-19, 1.9309593010631396e-19, 6.49823616630792e-20, -9.72234427220514e-20, -3.0442157134317e-19, -5.71948219158588e-19, -9.21913263499842e-19, -1.3869658598145839e-18, -2.01685199041188e-18, -2.8901183647735795e-18, -4.13624328539976e-18, -5.9802043952366996e-18, -8.83983333866526e-18, -1.3560662812512598e-17, -2.2064695950457802e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.016148349818139313
Energy: 1.344586097704627
Energy: 1.2641658292320852
Energy: 0.01682316432265642
Energy: 0.01663824432810907
Energy: 1.345320515381016
Energy: 0.016411436114236917
Energy: 0.17552151072107394
Energy: 0.217581449332418
Energy: 0.17502220825408601
Energy: 0.17515917573233372
Energy: 0.2159334298925667
Energy: 0.21645589205046836
Energy: 0.17541476293405064
Energy: 0.17560011524577365
Energy: 0.2162483647771334
Energy: 0.2159130536891326
Energy: 0.17551855560471252
Energy: 0.17543337904615672
Energy: 0.21648578952095177
Energy: 0.17522207477270535
Energy: 0.17593594452224628
Energy: 0.21617923579182477
Energy: 0.21738512244438385
Energy: 0.17538274130020487
Energy: 0.17617397184859107
Energy: 0.21671866267226012
Energy: 0.1751388060816824
Energy: 0.17545240847020122
Energy: 0.216583757628745
Energy: 0.17521638645651175
Energy: 0.17553548371952116
Energy: 0.17529844981010212
Energy: 0.21602493196200853
Energy: 0.17526869887194282
Energy: 0.016695968401253546
Energy: 0.21609026864572214
Energy: 0.1750576276645627
Energy: 0.017059488205910543
Energy: 0.01714637388143954
Energy: 0.216715094570068
Energy: 0.17560672175296702

minimum gb energy = 0.016148349818139313 eV
minimum distance =  2.44907000438313 Angstroms
sigma value = 5


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

Energy: 2.435343932757414
Energy: 1.2910954943244366
Energy: 1.2064019119109384
Energy: 1.2182022291554127
Energy: 1.3114512879035953
Energy: 1.2106226767652661
Energy: 1.2001980172340752
Energy: 1.2425776170081806
Energy: 1.2240058302457637
Energy: 1.2673064009011177
Energy: 1.2405231743345086
Energy: 1.2385042478182524
Energy: 1.2949276741795772
Energy: 1.2644243212267345
Energy: 1.2161234352609485
Energy: 1.238182522864238
Energy: 1.25129247591908
Energy: 1.2271865380823779
Energy: 1.2366452789534406
Energy: 1.2584281145519867
Energy: 1.2267218406876041
Energy: 1.218427362146277
Energy: 1.2303604344539065
Energy: 1.2320006172430835
Energy: 1.2149731516746751
Energy: 1.222480845131024
Energy: 1.2399318781914677
Energy: 1.223786879375799
Energy: 1.2130718689508277
Energy: 1.2432815283047376
Energy: 1.2430672802391185
Energy: 1.2247938587309428
Energy: 1.226309077993425
Energy: 1.1917260615727947
Energy: 1.2439814342024496
Energy: 1.2467689654413234
Energy: 1.2311255168463542
Energy: 1.2388163630266937
Energy: 1.2440321324696115
Energy: 1.250778360903518
Energy: 1.2281929080607306
Energy: 1.246189550536457
Energy: 1.2461538311785265
Energy: 1.2237562760067355
Energy: 1.239182836574762
Energy: 1.2508842894165257
Energy: 1.2214523016003156
Energy: 1.2323190109219149
Energy: 1.2403262133701227
Energy: 1.2445903750422191
Energy: 1.2248857803230497
Energy: 1.2327594194047375
Energy: 1.2511170849851818
Energy: 1.2467775518119173
Energy: 1.2275196554800951
Energy: 1.2285488465394705
Energy: 1.2570179685070597
Energy: 1.207278630633899
Energy: 1.2190556634530603
Energy: 1.1699701707746808
Energy: 1.179222360256881
Energy: 1.187620774411816
Energy: 1.1882421783639914
Energy: 1.2024026868006699
Energy: 1.2766565196885282
Energy: 1.158419154287181
Energy: 1.1497057146216874
Energy: 1.193680541662833
Energy: 1.1562243186680126
Energy: 1.1844133401623338
Energy: 1.291999499214665
Energy: 1.2789491581151777
Energy: 1.245958333280942
Energy: 1.2856348391874601
Energy: 1.2446425023482066
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Energy: 1.234705542520968
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Energy: 1.222473061617698
Energy: 1.231507625091242
Energy: 1.2540161141208659
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Energy: 1.2252803054258807
Energy: 1.2520420594531596
Energy: 1.278495509800283
Energy: 1.2206697569540346
Energy: 1.22724239158458
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Energy: 1.188935774253124
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Energy: 1.1735624317502833
Energy: 1.2034251462934307
Energy: 1.1903563451826804
Energy: 1.18830743454339
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Energy: 1.2017301478358933
Energy: 1.1815943441899024
Energy: 1.2013272067842207
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Energy: 1.1892006061551816
Energy: 1.1877074894248176
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Energy: 1.1908940981554166
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Energy: 1.2102030768708012
Energy: 1.1812016110672094
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Energy: 1.2076292594984814
Energy: 1.2320730511618012
Energy: 1.1821271216965874
Energy: 1.206715974962395
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Energy: 1.1859557495327073
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Energy: 1.1416725151087859
Energy: 1.219292048166867
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Energy: 1.187178888876587
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Energy: 1.1567773981900051
Energy: 1.1884820512677041
Energy: 1.2053176294830326
Energy: 1.1649701070152965
Energy: 1.1949935042715354
Energy: 1.2210165535179558
Energy: 1.185602809010353
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Energy: 1.1903361105295687
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Energy: 1.1819788398542828
Energy: 1.1543257877811972
Energy: 1.19900343801668
Energy: 1.2048764208704215
Energy: 1.1608937515963778
Energy: 1.180928113782913
Energy: 1.2172706489477023
Energy: 1.1838203369006268
Energy: 1.1745193940369074
Energy: 1.2025593746335985
Energy: 1.1842090861528216
Energy: 1.2129946171251746
Energy: 1.186418670221245
Energy: 1.1605313626912186
Energy: 1.243445965319387
Energy: 1.1640829259808718
Energy: 1.1876620755901208
Energy: 1.1862892744987343
Energy: 1.1741152816830847
Energy: 1.1487167320105758
Energy: 1.1730996712620199
Energy: 1.2529040881254816
Energy: 1.1912919908518318
Energy: 1.1638776979886563
Energy: 1.1843300949974922
Energy: 1.21453530056241
Energy: 1.1856507177031506
Energy: 1.1613875099352446
Energy: 1.2081832783664805
Energy: 1.211006006685526
Energy: 1.238250254946263
Energy: 1.2273668005906695
Energy: 1.2246601933788683
Energy: 1.1689906148595648
Energy: 1.222913387135535
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Energy: 1.1902870404865462
Energy: 1.176953972087094
Energy: 1.1958527783707047
Energy: 1.166520051808711
Energy: 1.1763426912395603
Energy: 1.2170022400384883
Energy: 1.2064608445357776
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Energy: 1.278653758623662
Energy: 1.2401309609165687
Energy: 1.1863927690168317
Energy: 1.224499050898481
Energy: 1.1722019141502729
Energy: 1.2472108143849199
Energy: 1.1969175321498418
Energy: 1.1675701116196733
Energy: 1.186275084043964
Energy: 1.2057068661981525
Energy: 1.196148648021465
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Energy: 1.1659070044288276
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Energy: 1.2083496870754429
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Energy: 1.2615965739084514
Energy: 1.2407115204497576
Energy: 1.218414055271591
Energy: 1.2595318464320122
Energy: 1.2572102857675829
Energy: 1.2313539971531757
Energy: 1.2112417579943038
Energy: 1.2024930760130983
Energy: 1.2648914261614954
Energy: 1.1740072243777198
Energy: 1.228729760661289
Energy: 1.2560417093120086
Energy: 1.183593999021831
Energy: 1.2067893322038037
Energy: 1.1672369933417768
Energy: 1.2443388269358722
Energy: 1.172477374384473
Energy: 1.1582857798091653
Energy: 1.268489726399247
Energy: 1.2125829391681229
Energy: 1.201359648640599
Energy: 1.2031981234601083
Energy: 1.2372258126585949
Energy: 1.2052924123269546
Energy: 1.2200262878528831
Energy: 1.2570783902095246
Energy: 1.1966503281675105
Energy: 1.2014558376965845
Energy: 1.2017219529767929
Energy: 1.1933202326669061
Energy: 1.2074221387396253
Energy: 1.2195325478344925
Energy: 1.202044372924599
Energy: 1.2043023758570908
Energy: 1.1983349804596446
Energy: 1.2048990635646948
Energy: 1.2041673778180297
Energy: 1.216034993349638
Energy: 1.231113770497856
Energy: 1.210293187577147
Energy: 1.1838968666761553
Energy: 1.2226706436980128
Energy: 1.2653389241999675
Energy: 1.1827943182720346
Energy: 1.2296904812636968
Energy: 1.2202412037531116
Energy: 1.267303002165764
Energy: 1.220459902876832
Energy: 1.239671932312341
Energy: 1.239728736195029
Energy: 1.236363458707892
Energy: 1.2408445940673138
Energy: 1.2351596874389967
Energy: 1.2280414766285266
Energy: 1.212510986795901
Energy: 1.2349432570584198
Energy: 1.238469974336085
Energy: 1.22475601029577
Energy: 1.2331433976114525
Energy: 1.2534400077344925
Energy: 1.2258531921833293
Energy: 1.2223773842087673
Energy: 1.1954096589666743
Energy: 1.239052760472194
Energy: 1.2668509442603073
Energy: 1.238052207697312
Energy: 1.2326949956273532
Energy: 1.261132191044724
Energy: 1.1978371160321641
Energy: 1.2327629974023668
Energy: 1.21858159167742
Energy: 1.1565076600274482
Energy: 1.1566216493523491
Energy: 1.222968602664532
Energy: 1.1879069589521447

minimum gb energy = 1.1416725151087859 eV
minimum distance =  2.31115326768959 Angstroms
sigma value = 401


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

Energy: 1.9706893798087857
Energy: 1.27353819166214
Energy: 1.2522483438811112
Energy: 1.1481737510084584
Energy: 1.1467893681543442
Energy: 1.3880426548597578
Energy: 1.2357227802820858
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Energy: 1.1896515425584016
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Energy: 1.1894328193137498
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Energy: 1.1853364592405577
Energy: 1.2046711866913677
Energy: 1.2170198690971825
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Energy: 1.2192810780925745
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Energy: 1.2047474326759795
Energy: 1.2144958554609584
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Energy: 1.1993727935420542
Energy: 1.232366420741456
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Energy: 1.2662471854403463
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Energy: 1.341078354200493
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Energy: 1.2408635417933684
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Energy: 1.230929381947306
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Energy: 1.2228154339087494
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Energy: 1.2337387253190644
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Energy: 1.2043831680885229
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Energy: 1.2238970322699625
Energy: 1.202856583736654
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Energy: 1.1805376238945675
Energy: 1.1942712343126833
Energy: 1.1841932673140052
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Energy: 1.1771918823313046
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Energy: 1.1864583595637774
Energy: 1.2970753681535472
Energy: 1.128328950445159
Energy: 1.131154211713548
Energy: 1.1956176955604343
Energy: 1.1839191906134412
Energy: 1.2076808101153054
Energy: 1.1842920450192478
Energy: 1.2340432909274948
Energy: 1.2088727484185566
Energy: 1.1898976149721971
Energy: 1.2399977339982928
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Energy: 1.2895734310888438
Energy: 1.2351776206008125
Energy: 1.2149596177884368
Energy: 1.2146453234804377
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Energy: 1.2213235000487903
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Energy: 1.2349494108894026
Energy: 1.2187000105448003
Energy: 1.2977588530968607
Energy: 1.3216880101209016
Energy: 1.2365036608465896
Energy: 1.2432244719449201
Energy: 1.2377909601045896
Energy: 1.2398272469755485
Energy: 1.24696142938501
Energy: 1.2339970235213191
Energy: 1.2342264970537304
Energy: 1.2487489089785009
Energy: 1.3402466949618972
Energy: 1.2278299629829716
Energy: 1.2299558040606666
Energy: 1.2406575306085428
Energy: 1.2318444614826243
Energy: 1.2337999835007278
Energy: 1.2394260834545228
Energy: 1.3231790593105304
Energy: 1.2342973847299707
Energy: 1.236353024506807
Energy: 1.247351079940188
Energy: 1.2335092537499863
Energy: 1.231520378993196
Energy: 1.2402787186040531
Energy: 1.1928416985999597
Energy: 1.1941568992321236
Energy: 1.2659002432529844
Energy: 1.2386556559337616
Energy: 1.1914506317411193
Energy: 1.226729152643201
Energy: 1.2643163431625486
Energy: 1.1776962510022801
Energy: 1.1762746120147993
Energy: 1.2233908455309639
Energy: 1.27812985833501
Energy: 1.176779778742843
Energy: 1.2219326196438427
Energy: 1.2366090893399453
Energy: 1.1790560112696435
Energy: 1.2302613269069063
Energy: 1.237971166724839
Energy: 1.193102419230872
Energy: 1.1944162944050494
Energy: 1.1978759115204947
Energy: 1.2636191568309867
Energy: 1.3381429687629711
Energy: 1.2380457849011608
Energy: 1.222513434037265
Energy: 1.3186059256737677
Energy: 1.2325767797266978
Energy: 1.2322974135671665
Energy: 1.238298894190067
Energy: 1.3293706601401105
Energy: 1.2266087578964318
Energy: 1.2459249400783905
Energy: 1.2497505274788807
Energy: 1.2295110013757635
Energy: 1.2458500082653527
Energy: 1.2460186470326364
Energy: 1.359686231198302
Energy: 1.2350303392643835
Energy: 1.2224417116125657
Energy: 1.2957411841972857
Energy: 1.234391431258279
Energy: 1.222465628419766
Energy: 1.2471107981868723
Energy: 1.1837010787725353
Energy: 1.192033148222952
Energy: 1.1972474062497611
Energy: 1.2296659206591167
Energy: 1.192692581086043
Energy: 1.2225415466681595
Energy: 1.209668699360336
Energy: 1.17669473051847
Energy: 1.1893235066396513
Energy: 1.2018927961662476
Energy: 1.1928085123383323
Energy: 1.1951753187126715
Energy: 1.228466850640939
Energy: 1.1883731376624573
Energy: 1.1764586622536675
Energy: 1.1782968620375802
Energy: 1.1948078251679268
Energy: 1.1863524550314444
Energy: 1.1813012150766555
Energy: 1.1959090770813308
Energy: 1.1945390720464697
Energy: 1.2175942461015705
Energy: 1.2136440151586456
Energy: 1.2949256193507466
Energy: 1.2172820590309121
Energy: 1.2151676019153488
Energy: 1.2341698171962165
Energy: 1.214024377177646
Energy: 1.2141572381483396
Energy: 1.186911130556391
Energy: 1.235147363102149
Energy: 1.213602876274194
Energy: 1.2134727909383407
Energy: 1.3207999439755471
Energy: 1.276804908183233
Energy: 1.2196270685637847
Energy: 1.1936135935370629
Energy: 1.2344100679292387
Energy: 1.2067770117655237
Energy: 1.1894413986824162
Energy: 1.293871652241826
Energy: 1.2139536485936193
Energy: 1.128099086734906
Energy: 1.1809264917756168
Energy: 1.205171688350417
Energy: 1.1285013843785838
Energy: 1.1286538290096109
Energy: 1.2016888933879202
Energy: 1.1799585994030604

minimum gb energy = 1.1277293314548456 eV
minimum distance =  2.20631306620576 Angstroms
sigma value = 311


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

Energy: 1.3258316340431857
Energy: 1.2555936982984308
Energy: 1.2853789553169366
Energy: 1.3279684969261436
Energy: 1.345086356807382
Energy: 1.323972032123343
Energy: 1.3573122604249774
Energy: 1.175174496798374
Energy: 1.1582991518227657
Energy: 1.1641927774342296
Energy: 1.1691381287637275
Energy: 1.1614380264358044
Energy: 1.1842758278071834
Energy: 1.177033820471484
Energy: 1.1734578079724556
Energy: 1.1755794556691557
Energy: 1.1627225309041889
Energy: 1.1683751699907692
Energy: 1.1580370869425731
Energy: 1.1847919836304135
Energy: 1.2094753939957623
Energy: 1.1466102941420615
Energy: 1.1443673582544225
Energy: 1.219197121646672
Energy: 1.1478699382990087
Energy: 1.3053210290296298
Energy: 1.2654274007180708
Energy: 1.245095308749348
Energy: 1.204670443136344
Energy: 1.1755875203263104
Energy: 1.209594220509488
Energy: 1.1751376378790355
Energy: 1.2227441227846725
Energy: 1.2199220873157262
Energy: 1.1722386635384736
Energy: 1.2717581677473508
Energy: 1.30955918754927
Energy: 1.2093992670120481
Energy: 1.261273697701372
Energy: 1.3270960797783729
Energy: 1.3394267049577495
Energy: 1.293420124104197
Energy: 1.3074489517735486
Energy: 1.2863166892162485
Energy: 1.2937807829635133
Energy: 1.315054116219917
Energy: 1.3216142171228675
Energy: 1.3532656200606075
Energy: 1.3342214804952817
Energy: 1.1961552478164819
Energy: 1.195906521622333
Energy: 1.2155267156859222
Energy: 1.2010905873950677
Energy: 1.2010272110700317
Energy: 1.203349557383811
Energy: 1.1753713127311591
Energy: 1.2503705816044803
Energy: 1.174645546190883
Energy: 1.1942197449320855
Energy: 1.2090171672455827
Energy: 1.2098703059267162
Energy: 1.1938208901067784
Energy: 1.2000074974074493
Energy: 1.2501895831316594
Energy: 1.2578499372239254
Energy: 1.2816636786677296
Energy: 1.2665327821003254
Energy: 1.2036123922901611
Energy: 1.3037891324004964
Energy: 1.3011037328046755
Energy: 1.206890212070621
Energy: 1.18703630413688
Energy: 1.1848471809295396
Energy: 1.1734889179047678
Energy: 1.17605670384495
Energy: 1.198255745173849
Energy: 1.196800667054612
Energy: 1.3015574408520267
Energy: 1.3377525904281728
Energy: 1.2061737232587129
Energy: 1.3231797220788055
Energy: 1.3229142438977297
Energy: 1.1917636513744934
Energy: 1.316361077614036
Energy: 1.2999157825947254
Energy: 1.3526437874063493
Energy: 1.3224537420032232
Energy: 1.290477165551468
Energy: 1.3360123418462986
Energy: 1.3506947089604873
Energy: 1.2955860787996103
Energy: 1.2027979749011584
Energy: 1.2225376787394884
Energy: 1.1987226829756228
Energy: 1.2126078515173406
Energy: 1.1919277068331036
Energy: 1.2071169067126468
Energy: 1.189571091860031
Energy: 1.1741976517060462
Energy: 1.2060380295047082
Energy: 1.1862748165307573
Energy: 1.2269559355708126
Energy: 1.2074458825128467
Energy: 1.195141951085696
Energy: 1.1825757134782307
Energy: 1.267813306908144
Energy: 1.2133053440304264
Energy: 1.2518056935967754
Energy: 1.3112147883844785
Energy: 1.2484236026956381
Energy: 1.2598329787193636
Energy: 1.2086060648166828
Energy: 1.228925971108069
Energy: 1.22071275265841
Energy: 1.2212773126208503
Energy: 1.216913744947357
Energy: 1.2228835259814925
Energy: 1.2141649567039932
Energy: 1.216827763837339
Energy: 1.3268032816359516
Energy: 1.3223125929000934
Energy: 1.3105275047312415
Energy: 1.3244537181762375
Energy: 1.332367205613027
Energy: 1.3192060944391657
Energy: 1.3204547284678576
Energy: 1.3238808825071298
Energy: 1.2996084397605283
Energy: 1.2928634890852424
Energy: 1.3176009914407596
Energy: 1.3408723138631948
Energy: 1.314245717681515
Energy: 1.2980979574691156
Energy: 1.209534796390295
Energy: 1.2053672636573383
Energy: 1.2022871619584654
Energy: 1.2145051255336101
Energy: 1.2201731570448335
Energy: 1.2061801648650279
Energy: 1.2128506908288927
Energy: 1.300758232862068
Energy: 1.2575600372201285
Energy: 1.2832015425684207
Energy: 1.2909577583226288
Energy: 1.2182968085379957
Energy: 1.2313772240158716
Energy: 1.2643885280296148
Energy: 1.3005652763447837
Energy: 1.2663515839615962
Energy: 1.1879117853010568
Energy: 1.2218413390153617
Energy: 1.270988131259779
Energy: 1.2215699830247
Energy: 1.1914480761215724
Energy: 1.1728831060223375
Energy: 1.2177411177045252
Energy: 1.198101339810002
Energy: 1.2121164674018625
Energy: 1.1917885091970004
Energy: 1.1990415541585704
Energy: 1.1889274718361698
Energy: 1.3104627464776737
Energy: 1.3544802573758012
Energy: 1.1990726276807337
Energy: 1.28997519922888
Energy: 1.3359654644298646
Energy: 1.2218602293722345
Energy: 1.3042879685728574
Energy: 1.301118083451065
Energy: 1.3370472827978392
Energy: 1.2190186071092535
Energy: 1.290523646533699
Energy: 1.3255172731977107
Energy: 1.3376729502463693
Energy: 1.3153700070248873
Energy: 1.1987713481567708
Energy: 1.1871755779756366
Energy: 1.2089926510207532
Energy: 1.1741368540018386
Energy: 1.1762529026064292
Energy: 1.1983640109650195
Energy: 1.2153279719943988
Energy: 1.2558977653453187
Energy: 1.2443999463754825
Energy: 1.2035604455409081
Energy: 1.195644576728078
Energy: 1.2040803161212743
Energy: 1.1862220786967264
Energy: 1.2719289780825398
Energy: 1.208205256488767
Energy: 1.2033569622374178
Energy: 1.2092691646474685
Energy: 1.20866191045627
Energy: 1.2140099720353033
Energy: 1.279950505614296
Energy: 1.1919149819423693
Energy: 1.1806095793651055
Energy: 1.1853221965628726
Energy: 1.228805391958577
Energy: 1.225484958586906
Energy: 1.2108239991973755
Energy: 1.2032538049801071
Energy: 1.1886804095502161
Energy: 1.3370408965167981
Energy: 1.3475307887418984
Energy: 1.3236002348012341
Energy: 1.3209087381762836
Energy: 1.3268702412558566
Energy: 1.3403584532517656
Energy: 1.323304551205554
Energy: 1.273564816107664
Energy: 1.309070784797572
Energy: 1.201885788303425
Energy: 1.152300756350205
Energy: 1.2115693872481164
Energy: 1.223847222193507
Energy: 1.3177853356734641
Energy: 1.2144090162910244
Energy: 1.172840984563246
Energy: 1.197292441761728
Energy: 1.1554797330654767
Energy: 1.2126861922577368
Energy: 1.2268188793120416
Energy: 1.1709753559598135
Energy: 1.3556478982886564
Energy: 1.1829647565140489
Energy: 1.2647789267212706
Energy: 1.193896711426064
Energy: 1.2362402752344175
Energy: 1.3127858526377567
Energy: 1.2791623283524047
Energy: 1.2272328290155827
Energy: 1.175541581050356
Energy: 1.1997249079989003
Energy: 1.1654362699979437
Energy: 1.21230697142884
Energy: 1.1975111058901506
Energy: 1.1924922636708342
Energy: 1.276378434738555
Energy: 1.2586998594145202
Energy: 1.159633710500667
Energy: 1.1660349324843953
Energy: 1.1618604822407081
Energy: 1.1839410023600654
Energy: 1.2951706953722015
Energy: 1.2862256808365788
Energy: 1.2575810372965754
Energy: 1.296982282802026
Energy: 1.3366295990644053
Energy: 1.1873912081731106
Energy: 1.20093615523429
Energy: 1.2290498318077479

minimum gb energy = 1.1443673582544225 eV
minimum distance =  2.31044275476526 Angstroms
sigma value = 39


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

Energy: 1.5507188182017686
Energy: 1.281362557438477
Energy: 1.308850241635658
Energy: 1.2866760439039604
Energy: 1.324377589171053
Energy: 1.3301460690158953
Energy: 1.2880820144855272
Energy: 1.2312122181386698
Energy: 1.1699837982978707
Energy: 1.2069273841049766
Energy: 1.2447136343801994
Energy: 1.1792095939753584
Energy: 1.1668463250797063
Energy: 1.2316454124781409
Energy: 1.2448748035340935
Energy: 1.1790378343883428
Energy: 1.2061425681077658
Energy: 1.2434388446881368
Energy: 1.2190053782644747
Energy: 1.1801917318922308
Energy: 1.1926342749830077
Energy: 1.2264441308995353
Energy: 1.0936905975202216
Energy: 1.1997432740477403
Energy: 1.2614592186427838
Energy: 1.1377350701558075
Energy: 1.093088544256796
Energy: 1.209133226854036
Energy: 1.2216633933235654
Energy: 1.1777948306937784
Energy: 1.1857812133148864
Energy: 1.2135454459839765
Energy: 1.177836130873876
Energy: 1.17756599126004
Energy: 1.2139769745808484
Energy: 1.2482454651968715
Energy: 1.1723982298463118
Energy: 1.196794817557671
Energy: 1.195635676334756
Energy: 1.181593987230397
Energy: 1.1729352190506959
Energy: 1.1952617343683047
Energy: 1.2235682105348447
Energy: 1.1688801617196745
Energy: 1.1784365881300554
Energy: 1.2522492337082272
Energy: 1.1674017957767344
Energy: 1.1892494289448488
Energy: 1.1953261254619811
Energy: 1.2286358966079556
Energy: 1.191397245450444
Energy: 1.1907077837995048
Energy: 1.2316842315167527
Energy: 1.247575621411399
Energy: 1.17495822511306
Energy: 1.2015351348399381
Energy: 1.272420970042829
Energy: 1.2806601735236798
Energy: 1.1955671133915333
Energy: 1.2723980250845843
Energy: 1.2798626045088168
Energy: 1.1706070599088256
Energy: 1.2730443329862582
Energy: 1.2722965635736119
Energy: 1.2807853438644494
Energy: 1.2057793084557993
Energy: 1.2951260086304612
Energy: 1.2795879872723859
Energy: 1.2969672998563657
Energy: 1.2578914666438592
Energy: 1.2353821819842485
Energy: 1.1904083363488465
Energy: 1.2064338910319703
Energy: 1.2704532696411786
Energy: 1.2366440407037336
Energy: 1.1491003924091143
Energy: 1.2438371445597827
Energy: 1.2626314873049493
Energy: 1.1478195327039593
Energy: 1.2060120793790907
Energy: 1.2397688260579909
Energy: 1.23686971314201
Energy: 1.2061009117940136
Energy: 1.2452995294659566
Energy: 1.2829740958109652
Energy: 1.1479145115742169
Energy: 1.2242427648324767
Energy: 1.3348984797190226
Energy: 1.1813254712196344
Energy: 1.1561948844837007
Energy: 1.2891507046161916
Energy: 1.2448869223102041
Energy: 1.183088487593675
Energy: 1.2062775339051466
Energy: 1.2428132348622756
Energy: 1.2149993203347231
Energy: 1.208420956216263
Energy: 1.2406181336771653
Energy: 1.293785991952822
Energy: 1.2805596157046895
Energy: 1.2063012383515723
Energy: 1.2324183599211096
Energy: 1.2818511116897218
Energy: 1.182909590096111
Energy: 1.2574406857617964
Energy: 1.3378361731128627
Energy: 1.2798507303645805
Energy: 1.2532633576572147
Energy: 1.286571779947481
Energy: 1.2866651271857552
Energy: 1.253036864740351
Energy: 1.2764902075815403
Energy: 1.2460678473542979
Energy: 1.1710842431818578
Energy: 1.2072419112971096
Energy: 1.2443546139383412
Energy: 1.179015939856718
Energy: 1.1668194968452974
Energy: 1.232509181656543
Energy: 1.244984061519069
Energy: 1.1790141443055104
Energy: 1.2063864723895912
Energy: 1.2461797148821783
Energy: 1.2187716950686296
Energy: 1.1807859088410166
Energy: 1.1926219035566687
Energy: 1.2292170127906694
Energy: 1.0938082795069979
Energy: 1.1999196199246343
Energy: 1.261525897035504
Energy: 1.1381416714996917
Energy: 1.0930315428315247
Energy: 1.2091662150021487
Energy: 1.220238198855279
Energy: 1.177835934798329
Energy: 1.1822976620147143
Energy: 1.213911589980399
Energy: 1.177325579929429
Energy: 1.1816053684646615
Energy: 1.2137125211804314
Energy: 1.175867547921603
Energy: 1.172453456047746
Energy: 1.1969443016366779
Energy: 1.195795820314735
Energy: 1.1815857080752947
Energy: 1.172920864754544
Energy: 1.19536295173655
Energy: 1.2236064907728932
Energy: 1.1691393563509107
Energy: 1.1931193683918921
Energy: 1.2521469554048879
Energy: 1.1675384230366073
Energy: 1.1890795823897824
Energy: 1.1952330270136065
Energy: 1.2288218419962886
Energy: 1.191664291279337
Energy: 1.1836124578579479
Energy: 1.2317896884907908
Energy: 1.2490704008050617
Energy: 1.1753281043900625
Energy: 1.2776283549423613
Energy: 1.2725290058806589
Energy: 1.280762020371753
Energy: 1.191073477846221
Energy: 1.27245570265574
Energy: 1.2798198010952417
Energy: 1.2262162132459786
Energy: 1.2725663125097588
Energy: 1.2726411379171263
Energy: 1.2808537620589948
Energy: 1.206083964412985
Energy: 1.2952814432060935
Energy: 1.2797714089622252
Energy: 1.2948047475477202
Energy: 1.2253015047884626
Energy: 1.2353823428337243
Energy: 1.1902531021077905
Energy: 1.2063581948049797
Energy: 1.270457517205004
Energy: 1.236278141502737
Energy: 1.1488209798899942
Energy: 1.2437940199589204
Energy: 1.2630879758319136
Energy: 1.1477066770120865
Energy: 1.2054908815602667
Energy: 1.245770958440026
Energy: 1.2374865556915868
Energy: 1.2062335535596973
Energy: 1.3019604898452044
Energy: 1.2836854885106386
Energy: 1.2431632292215702
Energy: 1.3705412477033705
Energy: 1.3359143659323587
Energy: 1.254907581449564
Energy: 1.1573081059950212
Energy: 1.287077731197695
Energy: 1.2449728297869698
Energy: 1.1826649939783325
Energy: 1.2061594671593558
Energy: 1.243142760997345
Energy: 1.2149125694600533
Energy: 1.2086028320401478
Energy: 1.2400986412488382
Energy: 1.2853875004596982
Energy: 1.2804021200292082
Energy: 1.206061402693601
Energy: 1.2309999286237179
Energy: 1.282139390126948
Energy: 1.186078877857243
Energy: 1.258550679428111

minimum gb energy = 1.0930315428315247 eV
minimum distance =  2.23628268445895 Angstroms
sigma value = 21


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

Energy: 1.753592269460576
Energy: 1.1447920489543162
Energy: 1.1236639712722818
Energy: 1.173844070827601
Energy: 1.175371493158118
Energy: 1.0503566425422113
Energy: 1.1767982169862132
Energy: 1.1667528070471744
Energy: 1.1121767406820242
Energy: 1.0933266293964732
Energy: 1.1746907768737263
Energy: 1.093445071256582
Energy: 1.0917486127103517
Energy: 1.1664346111206
Energy: 1.0801289352677146
Energy: 1.0903478913789666
Energy: 1.1344339478286327
Energy: 1.0818506013400233
Energy: 1.0995900303748378
Energy: 1.0927731395290126
Energy: 1.1351772671572236
Energy: 1.2099976914510469
Energy: 1.0580597664615614
Energy: 1.0734754617882112
Energy: 1.1167366717466571
Energy: 1.049830765239297
Energy: 1.0688572976121649
Energy: 1.117681629212113
Energy: 1.0655201402745245
Energy: 1.0495442820344223
Energy: 1.1353655796215234
Energy: 1.0906330665912813
Energy: 1.0923069434155912
Energy: 1.069136325286926
Energy: 1.1142469775870472
Energy: 1.054081092420234
Energy: 1.0914742668772335
Energy: 1.1357377039849297
Energy: 1.0881787492495134
Energy: 1.0727167240843234
Energy: 1.0918208479113858
Energy: 1.1671148774957667
Energy: 1.01463357222748
Energy: 1.0535555823235698
Energy: 1.0221572571955582
Energy: 1.029855506591836
Energy: 1.014419504334474
Energy: 1.0787951730465017
Energy: 1.0459869895314127
Energy: 1.0148712700833449
Energy: 1.0210048323595229
Energy: 1.063952298699549
Energy: 1.029686300271409
Energy: 1.0141970572844805
Energy: 1.094097421510644
Energy: 1.003401559281207
Energy: 1.053052447494489
Energy: 1.0141861960630567
Energy: 1.1040281464777744
Energy: 1.0516026924423014
Energy: 1.0516911312393953
Energy: 1.105249939061398
Energy: 1.070148500864475
Energy: 0.9907965903345914
Energy: 0.9908270718563317
Energy: 1.0329298749021423
Energy: 0.9914745786202264
Energy: 0.9919663994210219
Energy: 0.9855278471158501
Energy: 1.0396300032001804
Energy: 1.0313047530210449
Energy: 1.0373118637425716
Energy: 0.9914905225616275
Energy: 1.0710405099279987
Energy: 1.0314097771705166
Energy: 0.9921620497200483
Energy: 1.07503900494947
Energy: 0.9908551544430727
Energy: 0.9909818665545066
Energy: 1.0316152017861075
Energy: 1.0720905657710096
Energy: 0.9913253983879695
Energy: 1.0357914719101844
Energy: 1.0768594906721218
Energy: 1.0129403533268748
Energy: 1.0148201857743746
Energy: 0.990729780426251
Energy: 0.9909708447632587
Energy: 1.0365180324343901
Energy: 0.9909567207887874
Energy: 0.9912175887218304
Energy: 1.0645026761233698
Energy: 1.0059512149198242
Energy: 0.9905829516543159
Energy: 1.0064917536797366
Energy: 1.006137715797036
Energy: 0.9910086251300915
Energy: 0.991431050089115
Energy: 1.0504708590469736
Energy: 1.078936238719796
Energy: 1.0144059047069234
Energy: 1.029379627695802
Energy: 1.0943789282488563
Energy: 1.0144094251173492
Energy: 1.0299431930831864
Energy: 1.1146104142862403
Energy: 1.0814233277800642
Energy: 1.0143772038303371
Energy: 1.0293004264299186
Energy: 1.059768606552329
Energy: 1.0144862817061608
Energy: 1.030391679033908
Energy: 1.1146609242291918
Energy: 1.0774979693400122
Energy: 1.014443308150069
Energy: 1.108595522645118
Energy: 1.0593852847205731
Energy: 1.0144591481611689
Energy: 1.052341880200658
Energy: 1.1343528292457095
Energy: 1.0906405149666651
Energy: 1.0931013816200381
Energy: 1.0846307870751812
Energy: 1.0927165725906534
Energy: 1.0918512767104223
Energy: 1.0841020836026156
Energy: 1.122121872105739
Energy: 1.0731464197090674
Energy: 1.1242846993587106
Energy: 1.1157483883589847
Energy: 1.068621377631986
Energy: 1.0499811668543466
Energy: 1.0512794528297573
Energy: 1.1345061992074275
Energy: 1.0934732020298186
Energy: 1.0698780108149388
Energy: 1.1139489430691834
Energy: 1.092904951343283
Energy: 1.0894195242906777
Energy: 1.1826372075511677
Energy: 1.1348915239733306
Energy: 1.090311109167175
Energy: 1.134567904065154
Energy: 1.1663033196449397
Energy: 1.0932752271016384
Energy: 1.0941875157193959
Energy: 1.1701608619931105
Energy: 1.1883467891041795
Energy: 1.0500693161326127
Energy: 1.220010031339775
Energy: 1.176424514942986
Energy: 1.0503833412906847
Energy: 1.108146519317329
Energy: 1.2450714516491204
Energy: 1.1666455839896896
Energy: 1.050058971264372
Energy: 1.1389659629747622
Energy: 1.0819859279968882
Energy: 1.0498610269341053
Energy: 1.0694297802593893
Energy: 1.1852525375135514
Energy: 1.1709741027775702
Energy: 1.1091119195776
Energy: 1.1347398674599052
Energy: 1.1522895551942027
Energy: 1.0944369343822484
Energy: 1.1114064242323962
Energy: 1.16714659788547
Energy: 1.1947531129277715
Energy: 1.09347480222378
Energy: 1.1093718336481615
Energy: 1.1951150370089882
Energy: 1.0819425187357465
Energy: 1.1095496415454202
Energy: 1.1823356907012765

minimum gb energy = 0.9855278471158501 eV
minimum distance =  2.29637124794648 Angstroms
sigma value = 113


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

Energy: 1.7477600914019538
Energy: 0.9692813313456583
Energy: 0.9588166910523632
Energy: 1.0429481270710872
Energy: 1.043186049285754
Energy: 1.0279359761643938
Energy: 0.9501810819742644
Energy: 0.9828742897875704
Energy: 1.0084231846276919
Energy: 0.9850745245427265
Energy: 0.9837452818511909
Energy: 1.0143198833770959
Energy: 1.007475261830665
Energy: 1.0072742043928749
Energy: 0.96654184276177
Energy: 1.0209793525686521
Energy: 1.0063677158384376
Energy: 0.9822539226123614
Energy: 0.9718966240662615
Energy: 1.0005522508025846
Energy: 0.9864794073026102
Energy: 0.9697907798068972
Energy: 0.9947909766686255
Energy: 0.9842994407767289
Energy: 0.9338618756969933
Energy: 0.9467206036941429
Energy: 0.9839781498087363
Energy: 0.974120528686513
Energy: 0.923535599328274
Energy: 0.9906540442532413
Energy: 0.9664526555051745
Energy: 0.979853091871209
Energy: 0.9629533391759751
Energy: 0.9843377463361674
Energy: 0.9751537889437127
Energy: 0.9701246697251672
Energy: 0.9704169581423104
Energy: 0.9692932756930979
Energy: 0.9919727984480982
Energy: 0.9670957224621244
Energy: 1.0086391721496186
Energy: 0.9643676500984445
Energy: 0.9521930074272534
Energy: 1.0574005727010505
Energy: 0.9850325390212364
Energy: 0.9357483729707221
Energy: 0.9525046997641411
Energy: 1.00792657070901
Energy: 0.9622522224339797
Energy: 0.9526108799586024
Energy: 0.9417913083399047
Energy: 0.9782327868664572
Energy: 0.9332015600915972
Energy: 0.9524504906593463
Energy: 1.0022351903432185
Energy: 0.9463194381868527
Energy: 0.9699763095485906
Energy: 0.971634752882108
Energy: 0.9461309558355029
Energy: 0.9719460048231408
Energy: 0.9545124449286493
Energy: 0.9697884633247568
Energy: 0.9599881276167835
Energy: 0.9231974660625628
Energy: 0.9510768152637695
Energy: 0.9107080005053915
Energy: 0.948654018880163
Energy: 0.9525131027971065
Energy: 0.9230229120026501
Energy: 0.9518685697696533
Energy: 0.9475075651595426
Energy: 0.9487601391006742
Energy: 0.9107233639965208
Energy: 0.9284227391421886
Energy: 0.9382590839386221
Energy: 0.9212179002872358
Energy: 0.954067076318328
Energy: 0.9607946945214949
Energy: 0.9217798272238835
Energy: 0.917973705756122
Energy: 0.9630298857816939
Energy: 0.9522083995254418
Energy: 0.9387435178493634
Energy: 0.9625661242516164
Energy: 0.9560979513830563
Energy: 0.9221535159819857
Energy: 0.9102944942186476
Energy: 0.9235343977442055
Energy: 0.9063078475316114
Energy: 0.9106237212254845
Energy: 0.9125925214814927
Energy: 0.933416005436822
Energy: 0.8888028400365144
Energy: 0.9022906744965385
Energy: 0.9046363302079822
Energy: 0.9183822024898503
Energy: 0.8989351909784242
Energy: 0.8929578929474346
Energy: 0.9074586171733591
Energy: 0.9323397323210457
Energy: 0.9114095744604908
Energy: 0.9159094638378577
Energy: 0.9311326477418483
Energy: 0.9200761599132626
Energy: 0.9339284611897024
Energy: 0.897881633865525
Energy: 0.9066121558741765
Energy: 0.8963436377121831
Energy: 0.90267483175669
Energy: 0.8983874727096626
Energy: 0.9321337426576898
Energy: 0.8990786922078591
Energy: 0.8853172864975781
Energy: 0.906834445915547
Energy: 0.8937066645473275
Energy: 0.8703725210441338
Energy: 0.8816964960561259
Energy: 0.9063594572951894
Energy: 0.9138726410336314
Energy: 0.9161383850032399
Energy: 0.8902989931923961
Energy: 0.9301740502310217
Energy: 0.9011531936529681
Energy: 0.9030850230985323
Energy: 0.9234489699612646
Energy: 0.9054964927788594
Energy: 0.919069263927715
Energy: 0.9034353088758008
Energy: 0.9254952189741302
Energy: 0.9068515050064384
Energy: 0.9022875239047039
Energy: 0.9195788147853313
Energy: 0.917864403502255
Energy: 0.8826812258875087
Energy: 0.8858737108582788
Energy: 0.9020765402949185
Energy: 0.87344105130457
Energy: 0.8781576543385834
Energy: 0.893677379321307
Energy: 0.9075892473183184
Energy: 0.9101951164930998
Energy: 0.9098116112688686
Energy: 0.887480171043753
Energy: 0.929933386714295
Energy: 0.9053073077966187
Energy: 0.8886942797570856
Energy: 0.9310956157656464
Energy: 0.9153299500712384
Energy: 0.8896122464783434
Energy: 0.9088844886622143
Energy: 0.9321121435011658
Energy: 0.8873501557533534
Energy: 0.9089689261794577
Energy: 0.9353264624752732
Energy: 0.8910237455934893
Energy: 0.9058431491447423
Energy: 0.8780067863337869
Energy: 0.918819596672229
Energy: 0.9291595440368766
Energy: 0.8799105567060204
Energy: 0.8720712956977417
Energy: 0.9165726297840593
Energy: 0.9111705901832075
Energy: 0.9178181046158277
Energy: 0.9031483648473314
Energy: 0.9229653369414103
Energy: 0.9076182415164348
Energy: 0.9101431023993827
Energy: 0.9163218124028082
Energy: 0.9426268832118453
Energy: 0.8979147313710731
Energy: 0.9221952607740642
Energy: 0.9250317782560094
Energy: 0.8898585251542569
Energy: 0.9003097692129264
Energy: 0.9077166007976414
Energy: 0.9015859390049228
Energy: 0.8816964404740272
Energy: 0.8693306944695954
Energy: 0.8919255218800038
Energy: 0.9099601887984147
Energy: 0.8886087839507656
Energy: 0.8944997718281206
Energy: 0.9147423775011524
Energy: 0.8929265557571955
Energy: 0.8870026166682393
Energy: 0.9323807070047185
Energy: 0.9105337726452544
Energy: 0.898192162244375
Energy: 0.9330458651877888
Energy: 0.9139164579946558
Energy: 0.9326413128935377
Energy: 0.9160197211229951
Energy: 0.9205740887917634
Energy: 0.9295879210185419
Energy: 0.9039593248788058
Energy: 0.8920535720608072
Energy: 0.9095507605827106
Energy: 0.9081343840464012
Energy: 0.8992833653406787
Energy: 0.9104297978305023
Energy: 0.9147389685979183
Energy: 0.9358095155940751
Energy: 0.9089933027848894
Energy: 0.9117055055875952
Energy: 0.907432348899437
Energy: 0.9183882710064939
Energy: 0.9090550816514423
Energy: 0.9252946993081457
Energy: 0.90001905676321
Energy: 0.9338570811818313
Energy: 0.9240868210191417
Energy: 0.9502612675921033
Energy: 0.9570136355068941
Energy: 0.9116710174450487
Energy: 0.9532522847507321
Energy: 0.9613736546202573
Energy: 0.9325646357585421
Energy: 0.9119725540303403
Energy: 0.9491444064152761
Energy: 0.9568283899769093
Energy: 0.9198352927777095
Energy: 0.9501622492878319
Energy: 0.9486312536672244
Energy: 0.954211544366475
Energy: 0.9265922133612591
Energy: 0.9553161490331165
Energy: 0.9503734608881101
Energy: 0.9248515753340975
Energy: 0.9571759481551458
Energy: 0.9567146966918695
Energy: 0.9579982874175004
Energy: 0.9743258891784745
Energy: 0.9695812005412711
Energy: 0.9701395924022895
Energy: 0.9685815142679555
Energy: 0.9848473829512907
Energy: 0.966580561631634
Energy: 0.9375374925442034
Energy: 1.000332077621216
Energy: 0.9503998964389135
Energy: 0.9293860298637604
Energy: 0.9678839024927771
Energy: 0.9550810061367351
Energy: 0.9588523697652386
Energy: 0.9576744285431249
Energy: 0.9999614421453611
Energy: 0.9507016522922966
Energy: 0.9274592309669638
Energy: 1.0048245735297052
Energy: 0.9651297669946564
Energy: 0.9590277588720191
Energy: 0.9629738650814335
Energy: 1.0059980751483084
Energy: 0.968813455100917
Energy: 0.990542568317725
Energy: 0.9662562179032481
Energy: 0.9708512562559659
Energy: 0.9662435734495275
Energy: 1.0042341705971427
Energy: 0.9869251913140711
Energy: 0.9809191873016742
Energy: 0.9758659252137414
Energy: 0.9918606100987234
Energy: 0.9933868007333215
Energy: 0.9509091740057722
Energy: 1.0044852467207634
Energy: 1.0844496170742874
Energy: 0.9602765695156608
Energy: 0.9551877975147106
Energy: 0.9923894190043762
Energy: 0.9509501815989105
Energy: 0.9419175115051919
Energy: 0.9825187567285018
Energy: 1.0165900584682372
Energy: 0.968100191339907
Energy: 0.9828679117013371
Energy: 1.0119923762691028
Energy: 1.0229200163810144
Energy: 0.9780013142293161
Energy: 1.0053910354635394
Energy: 1.0021424799372927
Energy: 0.9741588996735736
Energy: 0.9834399596129666
Energy: 1.0101006861286643
Energy: 1.0064493931412462
Energy: 0.9721029339607402
Energy: 0.9442563464919254
Energy: 0.9941005048538699
Energy: 1.0296394397660933
Energy: 0.9590638271176304
Energy: 0.9470112551532756
Energy: 0.9799414435485869
Energy: 1.0270349035044588
Energy: 1.0027527929193996
Energy: 1.0179534260475485
Energy: 1.0018688741175001
Energy: 0.9830286183337227
Energy: 1.0105164786939043
Energy: 1.0019827234462497
Energy: 0.9811260138741701
Energy: 0.9846785462082832
Energy: 1.0032655131050296
Energy: 0.9843173894743341
Energy: 0.9829267974654081
Energy: 1.012549539323763
Energy: 1.0210087868025686
Energy: 1.0017129779475056
Energy: 1.0208273065334008
Energy: 0.9754824540759693
Energy: 0.9596805902078019
Energy: 1.039093413410715
Energy: 0.9800443336123463
Energy: 0.9518537195769118
Energy: 0.9496429205118725

minimum gb energy = 0.8693306944695954 eV
minimum distance =  2.31030424230417 Angstroms
sigma value = 365


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

Energy: 1.1234090119594293
Energy: 1.0587442186856761
Energy: 1.068691384348527
Energy: 1.0695943106035024
Energy: 1.0703161017080196
Energy: 1.0690369502536543
Energy: 1.0687436634382546
Energy: 0.525409949468248
Energy: 0.37281573145066654
Energy: 0.3783586977590815
Energy: 0.38149001216706263
Energy: 0.3813547642782361
Energy: 0.3799648764059986
Energy: 0.37586388956209776
Energy: 0.36885337681770936
Energy: 0.37511821135691514
Energy: 0.3776364301197616
Energy: 0.38060799675657614
Energy: 0.38085119796649414
Energy: 0.37903445132697944
Energy: 0.3761429495102515
Energy: 1.0539846723011952
Energy: 1.0539759356789746
Energy: 1.0672695226010052
Energy: 1.068466729077652
Energy: 1.070850484107455
Energy: 1.0677183640001964
Energy: 1.068011401123682
Energy: 1.0583578483852425
Energy: 1.059290350580377
Energy: 1.0610735917721017
Energy: 1.0662847323214728
Energy: 1.0711963684116184
Energy: 1.0626436621085744
Energy: 1.0595078130556124
Energy: 0.36872077230664957
Energy: 0.3757946365818637
Energy: 0.3761677790463332
Energy: 0.38063511880932216
Energy: 0.38121270401460866
Energy: 0.37792787940867956
Energy: 0.3756509008970445
Energy: 1.0527689048374185
Energy: 1.0569333067777649
Energy: 1.0669158534398728
Energy: 1.0692233899407524
Energy: 1.0709133119237524
Energy: 1.0673830029026743
Energy: 1.0543498355462497
Energy: 1.0531918012585006
Energy: 1.0532433327852304
Energy: 1.0672086381199437
Energy: 1.0686095063372394
Energy: 1.071109975218512
Energy: 1.0671536847849303
Energy: 1.0542883570570794
Energy: 0.368612771904806
Energy: 0.3753464953092303
Energy: 0.3764769445747179
Energy: 0.38053277218884224
Energy: 0.38118893509412205
Energy: 0.3784174180819552
Energy: 0.3752374914449047
Energy: 1.0587846182453913
Energy: 1.0592990771106567
Energy: 1.0610020072383353
Energy: 1.0655098635013114
Energy: 1.0686653384627078
Energy: 1.0634909955998475
Energy: 1.0598740109289237
Energy: 1.0548693905346367
Energy: 1.055231587317304
Energy: 1.0677937928818277
Energy: 1.068485099912527
Energy: 1.0706519260317973
Energy: 1.067560982224783
Energy: 1.0676367305922503
Energy: 0.3687424488338104
Energy: 0.3759291181582878
Energy: 0.3777630693407035
Energy: 0.3801448652353923
Energy: 0.3810780078884533
Energy: 0.3794916054801908
Energy: 0.37645695662185946
Energy: 0.36861313347836555
Energy: 0.37287550995539265
Energy: 0.37852773419598884
Energy: 0.38110435734405834
Energy: 0.3814233120525796
Energy: 0.3796222707671799
Energy: 0.37669155333837906
Energy: 1.0586375421854235
Energy: 1.0584985343348488
Energy: 1.0675071255432587
Energy: 1.0684567446348041
Energy: 1.0707029392019285
Energy: 1.067994290237993
Energy: 1.0684393045121052
Energy: 1.0591799380277112
Energy: 1.0597536346168985
Energy: 1.0627033924699618
Energy: 0.38109176263945344
Energy: 0.3813035369406041
Energy: 0.3801038286001072
Energy: 1.0605198009139893
Energy: 0.3687088278963241
Energy: 0.37442029568851104
Energy: 0.37731053570254075
Energy: 0.3807730354254083
Energy: 0.380939672031115
Energy: 0.37883517742160766
Energy: 0.3757444353588916
Energy: 1.0533050028358204
Energy: 1.053504081437017
Energy: 1.0672335526649617
Energy: 1.0683929800553233
Energy: 1.0708516449309027
Energy: 1.067639842624408
Energy: 1.0679365640155685
Energy: 1.0582575755767896
Energy: 1.0590146952441593
Energy: 1.0610602689952775
Energy: 1.0691225463370189
Energy: 1.0715341619543626
Energy: 1.0624351110580954
Energy: 1.0594610682891805
Energy: 0.36857539671117895
Energy: 0.37537825507682765
Energy: 0.37634117927683347
Energy: 0.3804493248529283
Energy: 0.3810678616200643
Energy: 0.3777902352425701
Energy: 0.37536537216032384
Energy: 1.0586778827442982
Energy: 1.0576421692999494
Energy: 1.0605575258255082
Energy: 1.0691663417165274
Energy: 1.0709830063472578
Energy: 1.0676057954275937
Energy: 1.0587503106015896

minimum gb energy = 0.36857539671117895 eV
minimum distance =  2.37775691104736 Angstroms
sigma value = 23