Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.593729183077813
cohesive_energy=4.272647501189812
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=[1.97349709069584e-19, 2.7964711405162796e-19, 3.41601682311774e-19, 3.92224055239638e-19, 4.34604831562206e-19, 4.707659581915859e-19, 5.01998789494782e-19, 5.2918292044386e-19, 5.5295922169242e-19, 5.73808346230662e-19, 5.921052033909419e-19, 6.081461958505499e-19, 6.221764566344879e-19, 6.3439305346873795e-19, 6.44967419253138e-19, 6.5404054553148e-19, 6.617357999045819e-19, 6.681573238536539e-19, 6.734012479767359e-19, 6.775476811055279e-19, 6.806703233651939e-19, 6.828316596444599e-19, 6.840909704787839e-19, 6.844995255204539e-19, 6.84062131299372e-19, 6.82650613684818e-19, 6.80096744130222e-19, 6.7620665926287e-19, 6.707063868783479e-19, 6.63160134932208e-19, 6.52995926366112e-19, 6.39471953398518e-19, 6.216156948125879e-19, 5.9815982889082795e-19, 5.67423672344172e-19, 5.27168984414922e-19, 4.74391683914328e-19, 4.05011026955592e-19, 3.13432212732786e-19, 1.9187987804110797e-19, 2.9419167353508e-20, -1.8913855382033397e-19, -4.85084610769644e-19, -8.893666473567658e-19, -1.447939895974722e-18, -2.2309508540133e-18, -3.3492861663116395e-18, -4.9843074213086394e-18, -7.445010404637539e-18, -1.127196951260994e-17, -1.7427996771661798e-17, -2.76128734163364e-17, -4.4543714778467996e-17, -7.07638160468682e-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: 0.020422794166492297
Energy: 0.7215000028691132
Energy: 1.1369293603860469
Energy: 0.919242969000292
Energy: 0.9192897213081891
Energy: 0.3506571396378569
Energy: 0.021419821182594716
Energy: 0.10677356285543203
Energy: 0.9194794105276451
Energy: 0.294156606808822
Energy: 0.9573829115111595
Energy: 0.696683309009655
Energy: 0.02141774247909339
Energy: 0.10870693091824622
Energy: 0.02088567354591426
Energy: 0.6950201259338962
Energy: 0.6628790605776418
Energy: 0.957598357397581
Energy: 0.6975467123531258
Energy: 0.10682557629315761
Energy: 0.10853668126474367
Energy: 0.02308203671759534
Energy: 0.7176165316678681
Energy: 1.1362076318030743
Energy: 0.9200575525832998
Energy: 0.9192562155123735
Energy: 0.1075345961332343
Energy: 0.021409589187727483
Energy: 0.34813257967832284
Energy: 0.9188088762140819
Energy: 0.2940736460532033
Energy: 0.9569327349515462
Energy: 0.7150064800589995
Energy: 0.021322216207378047
Energy: 0.10887438226987924
Energy: 0.02087730439630137
Energy: 0.6955507240165899
Energy: 0.662839652554876
Energy: 0.9573151831547367
Energy: 0.6956125817998114
Energy: 0.10668782433488491
Energy: 0.10827577821984928

minimum gb energy = 0.020422794166492297 eV
minimum distance =  2.51837637957257 Angstroms
sigma value = 5


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

Energy: 1.1645976681275858
Energy: 1.4912237123478658
Energy: 1.2556525259466707
Energy: 1.1762860947780467
Energy: 1.2889932074801225
Energy: 1.1394998320364285
Energy: 1.2664033369030194
Energy: 1.1210122122782622
Energy: 1.2138659089309172
Energy: 1.1636797652736974
Energy: 1.246043832813129
Energy: 1.1656310167439996
Energy: 1.167023615508462
Energy: 1.1151132571754865
Energy: 1.2532540027963228
Energy: 1.1059782688210127
Energy: 1.218343545646302
Energy: 1.0915880686589476
Energy: 1.1403527956012787
Energy: 1.2028914955436016
Energy: 1.1706719274974202
Energy: 1.1149263640010965
Energy: 1.2973630665161417
Energy: 1.1697855778286494
Energy: 1.2916392158914733
Energy: 1.2271564917442412
Energy: 1.1973974585867644
Energy: 1.2307930862345522
Energy: 1.264359869449726
Energy: 1.2992281486692656
Energy: 1.1644244795536307
Energy: 1.1007398755348412
Energy: 1.1548932210897016
Energy: 1.2837145678514092
Energy: 1.1557450584410311
Energy: 1.2516421787669707
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Energy: 1.149645997109645
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Energy: 1.2071305114391029
Energy: 1.1336322740758735
Energy: 1.3706187321539662
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Energy: 1.2085265109689802
Energy: 1.1402586366962024
Energy: 1.1795759125317964
Energy: 1.2448609810119904
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Energy: 1.2120510624532679
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Energy: 1.2958999364653425
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Energy: 1.2320176721773357
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Energy: 1.238325394501298
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Energy: 1.2494212839124619
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Energy: 1.2952880427245301
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Energy: 1.1758566957572067
Energy: 1.2713537775435817
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Energy: 1.2941372049008717
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Energy: 1.1892705378265624
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Energy: 1.2041911629561284
Energy: 1.1536336074265776
Energy: 1.2465747996204337
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Energy: 1.2899911208789099
Energy: 1.176505184037184
Energy: 1.1746329232262323
Energy: 1.1384878759729722
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Energy: 1.18195586588705
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Energy: 1.1527248489493112
Energy: 1.1350058125131979
Energy: 1.1599029891394437
Energy: 1.1322595839057408
Energy: 1.2778055950025098
Energy: 1.153388112423545
Energy: 1.14833737916832
Energy: 1.257782923143213
Energy: 1.1841729250068491
Energy: 1.1538456333645377
Energy: 1.1526743112765638
Energy: 1.286106021155385
Energy: 1.2729013299987257
Energy: 1.183720013478713
Energy: 1.1863305967894893
Energy: 1.1499204795060778
Energy: 1.2335013313201475
Energy: 1.1822140362748526
Energy: 1.1216854097744489
Energy: 1.1948620801217416
Energy: 1.1297938025991379
Energy: 1.0887775540266267
Energy: 1.1728046757864272
Energy: 1.0883935246067575
Energy: 1.1398728770589817
Energy: 1.3664450725565573
Energy: 1.1367447575277136
Energy: 1.1586553786078742
Energy: 1.1458076030582753
Energy: 1.1968281924110127
Energy: 1.202050774486213
Energy: 1.0945288828903978
Energy: 1.1777042401702054
Energy: 1.1257199419684003
Energy: 1.1678581457139041
Energy: 1.1311480363445021
Energy: 1.1994981310621171
Energy: 1.1563781278370355
Energy: 1.288983523029574
Energy: 1.1990396688221554
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Energy: 1.2573534982820291
Energy: 1.3163181087943947
Energy: 1.2396374040054952
Energy: 1.2283555294301962
Energy: 1.1463782173056973

minimum gb energy = 1.0656634133073004 eV
minimum distance =  2.28411371297942 Angstroms
sigma value = 401


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

Energy: 1.3956369170602247
Energy: 1.374185117834673
Energy: 1.2571314694507294
Energy: 1.1992576806333801
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Energy: 1.1908665504664704
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Energy: 1.1783276020509124
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Energy: 1.153167912782371
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Energy: 1.139773510956042
Energy: 1.2632053732930288
Energy: 1.280555901054163
Energy: 1.1724534219320129
Energy: 1.1559438379052707
Energy: 1.1332794905902681
Energy: 1.0748173086498092
Energy: 1.2454738915286576
Energy: 1.126026738718391
Energy: 1.28692857483382
Energy: 1.2722456946191312
Energy: 1.156725058432503
Energy: 1.1498977838370612
Energy: 1.1508756752864389
Energy: 1.1511263310748425
Energy: 1.2144979149063362
Energy: 1.1546407674276422
Energy: 1.1154144119301197
Energy: 1.2287286616628388
Energy: 1.1384499963919097
Energy: 1.0833600294335382
Energy: 1.2428689185034711
Energy: 1.1705015893537565
Energy: 1.1737645466148654
Energy: 1.1438170308893552
Energy: 1.2860372315235977
Energy: 1.172177803701691
Energy: 1.2187843344075666
Energy: 1.1737167219593718
Energy: 1.1674676592118458
Energy: 1.135030588120777
Energy: 1.1287328202199691
Energy: 1.2661918594428647
Energy: 1.1313850163123746
Energy: 1.1943003259819573
Energy: 1.1915920930786952
Energy: 1.1534532994626658
Energy: 1.1505735361880824
Energy: 1.1172129149417975
Energy: 1.3527301477407716
Energy: 1.1564241624449696
Energy: 1.1832373580036601
Energy: 1.2046294520288725
Energy: 1.175589975051963
Energy: 1.1467579463990052
Energy: 1.1439354678693148
Energy: 1.1735099753125224
Energy: 1.190555845730401
Energy: 1.1347546023766608
Energy: 1.2143458070466622
Energy: 1.2011166844468282
Energy: 1.1733604911125626
Energy: 1.1884600798333116
Energy: 1.2363282018767199
Energy: 1.1680850004436913
Energy: 1.1588212219763963
Energy: 1.1755586455536484
Energy: 1.214688724216886
Energy: 1.1052237967191914
Energy: 1.1183986095427234
Energy: 1.173892916051293
Energy: 1.154695289554355
Energy: 1.1045605068791526
Energy: 1.1624310861087528
Energy: 1.2610065444064364
Energy: 1.358720362629137
Energy: 1.1135232501936159
Energy: 1.1644419455643251
Energy: 1.1701996632819476
Energy: 1.103789166929399
Energy: 1.2075322722860418
Energy: 1.1709178288250757
Energy: 1.2798463837795853
Energy: 1.1311294834612082
Energy: 1.1722521346676213
Energy: 1.1356220889726532
Energy: 1.0763641589670185
Energy: 1.1801046983134422
Energy: 1.2183780694455282
Energy: 1.1719090703635258
Energy: 1.158110834068213
Energy: 1.2450774877604123
Energy: 1.1432036952227962
Energy: 1.1264166226589807
Energy: 1.178736976775556
Energy: 1.204502761098991
Energy: 1.1809182689908897
Energy: 1.1831041236688578
Energy: 1.1783487388269818
Energy: 1.1444009138293274
Energy: 1.2311464871291955
Energy: 1.251246491767743
Energy: 1.2055118664140627
Energy: 1.1481716688495571
Energy: 1.1092747305034243
Energy: 1.129040872043346
Energy: 1.1853386197388753
Energy: 1.2597749501988458
Energy: 1.19691999569469
Energy: 1.1727091907988132
Energy: 1.1076304736353544
Energy: 1.1850955754917458
Energy: 1.1419824855731084
Energy: 1.1756653542087006
Energy: 1.101941220008359
Energy: 1.137990420115802
Energy: 1.1550392681168147

minimum gb energy = 1.0743844260192246 eV
minimum distance =  2.28770193872336 Angstroms
sigma value = 311


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

Energy: 1.2201037455799915
Energy: 1.348812568733385
Energy: 1.314291302249221
Energy: 1.1273594552596247
Energy: 1.2065339397515866
Energy: 1.1554988837611069
Energy: 1.2733644796068981
Energy: 1.1463699996597978
Energy: 1.1728379932806594
Energy: 1.1697384879277037
Energy: 1.17125802633999
Energy: 1.1979686591248044
Energy: 1.14153134500895
Energy: 1.225636746979093
Energy: 1.1799806999412592
Energy: 1.2179820880759389
Energy: 1.1253710433163278
Energy: 1.167491063410292
Energy: 1.1311790729492053
Energy: 1.2198395109234381
Energy: 1.2544890713626609
Energy: 1.1542827896733137
Energy: 1.1755211889949497
Energy: 1.213318532419093
Energy: 1.2130248848141636
Energy: 1.212339834718096
Energy: 1.1902644746464293
Energy: 1.2219863146216943
Energy: 1.1743393097724721
Energy: 1.2021186141359554
Energy: 1.1845818642450363
Energy: 1.2134312048940854
Energy: 1.1488811611080743
Energy: 1.237822072060787
Energy: 1.1519912534029635
Energy: 1.2080159215021289
Energy: 1.151284666639534
Energy: 1.1805658760876874
Energy: 1.092961304954634
Energy: 1.1516905390189376
Energy: 1.1362466913289788
Energy: 1.1562897658306526
Energy: 1.2006688012696016
Energy: 1.1540587455209883
Energy: 1.2894119810032512
Energy: 1.1148458435700261
Energy: 1.199370120475724
Energy: 1.1346992818575004
Energy: 1.1848335028389263
Energy: 1.1543608521647066
Energy: 1.2040352368674536
Energy: 1.1674325154039098
Energy: 1.1961130669650968
Energy: 1.242481408944558
Energy: 1.1500597277502127
Energy: 1.2393752839622685
Energy: 1.28062999833957
Energy: 1.128435707398563
Energy: 1.0992314728719783
Energy: 1.0937730641080285
Energy: 1.1432193347428719
Energy: 1.1935615856771986
Energy: 1.204423856876052
Energy: 1.164069290324327
Energy: 1.2686363653906665
Energy: 1.2354552014249753
Energy: 1.179135705919353
Energy: 1.1927249665865223
Energy: 1.1966530092164687
Energy: 1.2040462760660129
Energy: 1.1942073196294292
Energy: 1.1293932974337593
Energy: 1.1484429038009478
Energy: 1.1824034487709867
Energy: 1.1800784066075773
Energy: 1.149066723607278
Energy: 1.1784668168685877
Energy: 1.2277374906005245
Energy: 1.1124607694007718
Energy: 1.1863661138866213
Energy: 1.089543635538263
Energy: 1.1698895781011094
Energy: 1.0986733648040465
Energy: 1.1554556889334493
Energy: 1.2542228628698477
Energy: 1.110360738821082
Energy: 1.2503707272146138
Energy: 1.1537200986024052
Energy: 1.211948034652622
Energy: 1.1520842354205951
Energy: 1.2179203808910206
Energy: 1.2405557621850611
Energy: 1.2493494664240399
Energy: 1.217451725173531
Energy: 1.2537639670516123
Energy: 1.2879779179054278
Energy: 1.1452566846717607
Energy: 1.2398082196118065
Energy: 1.308971345621967
Energy: 1.1089826096119488
Energy: 1.2314379734840293
Energy: 1.1689627770514703
Energy: 1.0955853106578133
Energy: 1.0944916603698849
Energy: 1.2400231002909754
Energy: 1.1935828485865552
Energy: 1.228832322300611
Energy: 1.241459767160773
Energy: 1.172981278557172
Energy: 1.1724782461314043
Energy: 1.1452035033021981
Energy: 1.1816444192645776
Energy: 1.1753952573792439
Energy: 1.1202602274886584
Energy: 1.1536983470317799
Energy: 1.312184067688019
Energy: 1.1453630123147576
Energy: 1.2548105468106034
Energy: 1.119738625942756
Energy: 1.1512788270968426
Energy: 1.1668535911753957
Energy: 1.177412910644646
Energy: 1.1226246171505885
Energy: 1.1465114155434917
Energy: 1.1559668352745773
Energy: 1.1326874123337283
Energy: 1.3109916433983753
Energy: 1.1561947486574111
Energy: 1.2706864087076195
Energy: 1.1243890404806673
Energy: 1.1513716778800533
Energy: 1.1440251926303597
Energy: 1.1931874848213628
Energy: 1.1441942600684394
Energy: 1.2676910920415272
Energy: 1.2447564677861915
Energy: 1.2727666225535093
Energy: 1.2210881914868525
Energy: 1.306850648811679
Energy: 1.1634598267317438
Energy: 1.1581642365624782
Energy: 1.1205785197821574
Energy: 1.1822048822599314
Energy: 1.122920354630371
Energy: 1.0961298907541397
Energy: 1.1572290367978801
Energy: 1.2354734163677716
Energy: 1.1678211593450822
Energy: 1.2589977637330858
Energy: 1.17111972821014
Energy: 1.1264948716429641
Energy: 1.1449530063550115
Energy: 1.1219284909776779
Energy: 1.1940973180601167
Energy: 1.1091914018292308
Energy: 1.1492170708500995
Energy: 1.1344709508134945
Energy: 1.2935161757699603
Energy: 1.1379980193039985
Energy: 1.2764802770502015
Energy: 1.1486242978774848
Energy: 1.1925557381529666
Energy: 1.181941245085884
Energy: 1.143677299757402
Energy: 1.0838122560842893
Energy: 1.160200704085163
Energy: 1.2153083164325742
Energy: 1.1325709789587481
Energy: 1.2444811890693153
Energy: 1.150094470191483
Energy: 1.2501894527262676
Energy: 1.1203385019390542
Energy: 1.1128876010417994
Energy: 1.1434548351893106
Energy: 1.218139956184914
Energy: 1.2209774136478329
Energy: 1.2613986367318675
Energy: 1.286382939903946
Energy: 1.255614738956472
Energy: 1.235505478707615
Energy: 1.3148396262314468
Energy: 1.2228092243137059
Energy: 1.240098781446553
Energy: 1.1260120650562775
Energy: 1.2649526247815917
Energy: 1.1227205654815398
Energy: 1.1655444384132876
Energy: 1.1084765796393996
Energy: 1.200959561513337
Energy: 1.2056697936023564
Energy: 1.162944847313012
Energy: 1.2439894713214177
Energy: 1.1288403270555194
Energy: 1.1644227415743542
Energy: 1.185501976730412
Energy: 1.1373165604458402
Energy: 1.1369407160612404
Energy: 1.16276675382071
Energy: 1.1487641519087783
Energy: 1.3301047754876083
Energy: 1.2021760885112727
Energy: 1.2766725942879957
Energy: 1.1874116586461474
Energy: 1.2407055438804309
Energy: 1.1791150487560138
Energy: 1.2775906613210197
Energy: 1.1430850597210027
Energy: 1.2042699370101928
Energy: 1.1426416296385673
Energy: 1.170627585574384
Energy: 1.3617043791595773
Energy: 1.1266230881652148
Energy: 1.1207107957911056
Energy: 1.1506879102396073
Energy: 1.1197497595569754
Energy: 1.1936674404892997
Energy: 1.2220773736371102
Energy: 1.1557983386902562
Energy: 1.2274798094415733
Energy: 1.219327657678946
Energy: 1.262678464465226
Energy: 1.2869831008977004
Energy: 1.094310841281536
Energy: 1.2352263653280249
Energy: 1.2005129720216485
Energy: 1.164636794061316
Energy: 1.2278643615523341
Energy: 1.1877053305262597
Energy: 1.2058087891000178
Energy: 1.1363696887840806
Energy: 1.2031574855181582
Energy: 1.1869057377027978
Energy: 1.1199107676451887
Energy: 1.2367267138332991
Energy: 1.1093879380687517
Energy: 1.1367084191995753
Energy: 1.177363062467826
Energy: 1.1676789494335158
Energy: 1.1861531948368427
Energy: 1.1930502717286497
Energy: 1.1805993248489688
Energy: 1.2681725499269403
Energy: 1.1452008451030282
Energy: 1.1731027670056475
Energy: 1.1647634233193256
Energy: 1.2389128998837964
Energy: 1.2337282713737088
Energy: 1.2568194293295465
Energy: 1.1276042078578963
Energy: 1.1454042853185307
Energy: 1.147399470995737
Energy: 1.2640534148027107

minimum gb energy = 1.0838122560842893 eV
minimum distance =  2.2490857930557 Angstroms
sigma value = 39


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

Energy: 1.0327890572543426
Energy: 1.1251711655795893
Energy: 1.5054181793079469
Energy: 1.322198707679362
Energy: 1.0750292300076445
Energy: 1.265385017339316
Energy: 1.0268963842761734
Energy: 1.1113149858013573
Energy: 1.1389492315669323
Energy: 1.0923474624581124
Energy: 1.1461966935460013
Energy: 1.1462745429595012
Energy: 1.1087319988702367
Energy: 1.1803933066185797
Energy: 1.1833611479634314
Energy: 1.1841460822526915
Energy: 1.1370296345912427
Energy: 1.0976236290018293
Energy: 1.1270424080285641
Energy: 1.1076724833878946
Energy: 1.1130099461285838
Energy: 1.0758107482192687
Energy: 1.1430917569041705
Energy: 1.0638551626630677
Energy: 1.0373925670425184
Energy: 1.1132914537757603
Energy: 1.1074529725298683
Energy: 1.2303914209020264
Energy: 1.1238213499714398
Energy: 1.1287596000334605
Energy: 1.103879882156325
Energy: 1.138437383304916
Energy: 1.2061988762963054
Energy: 1.1471694787853939
Energy: 1.118316705701027
Energy: 1.0267409263415714
Energy: 1.1279895739544554
Energy: 1.0803544140452517
Energy: 1.135997645301693
Energy: 1.1348402147268983
Energy: 1.1112134453021394
Energy: 1.1453321652888449
Energy: 1.414779183082489
Energy: 1.1067724889670558
Energy: 1.079115412484114
Energy: 1.148454064020319
Energy: 1.0263695924866685
Energy: 1.0335835601946368
Energy: 1.2502591807205754
Energy: 1.0284139352533475
Energy: 1.14276157470608
Energy: 1.1156380249561122
Energy: 1.0624568757428483
Energy: 1.1914151643261224
Energy: 1.1487743417951426
Energy: 1.184365673702556
Energy: 1.0271192848518187
Energy: 1.1423175184034127
Energy: 1.0913852895717384
Energy: 1.0589342856431125
Energy: 1.1444501967577025
Energy: 1.147746130850927
Energy: 1.1845838302998104
Energy: 1.3588498152361408
Energy: 1.1375962035464902
Energy: 1.1453373573535712
Energy: 1.0912612201582008
Energy: 1.133306245259187
Energy: 1.1111885963503154
Energy: 1.115748410896645
Energy: 1.0348439411347534
Energy: 1.1245319427468832
Energy: 1.1262416451146242
Energy: 1.0476870286713962
Energy: 1.1270098891895926
Energy: 1.1126531435225477
Energy: 1.2281725325516526
Energy: 1.1130187675658756
Energy: 1.127749566223875
Energy: 1.043121633906958
Energy: 1.1337235567380146
Energy: 1.1951192149786005
Energy: 1.1072979544082455
Energy: 1.1218302867035228
Energy: 1.0263192161837147
Energy: 1.163926844225093
Energy: 1.1786620772320797
Energy: 1.1096286747922428
Energy: 1.1800945414613109
Energy: 1.0879218016884222
Energy: 1.1122362854018586
Energy: 1.4140729339655846
Energy: 1.116792600722245
Energy: 1.0799232577045232
Energy: 1.1027853845674793
Energy: 1.0277801917005336
Energy: 1.0319089156649606
Energy: 1.1127428527158483
Energy: 1.0260528620449392
Energy: 1.106602552514197
Energy: 1.079677751738332
Energy: 1.0803475125146837
Energy: 1.0267045076395531
Energy: 1.0270672658066182
Energy: 1.1134657330817328
Energy: 1.0327627073799674
Energy: 1.1767910228674623
Energy: 1.1872833120892903
Energy: 1.0832027570868905
Energy: 1.075976220788386
Energy: 1.2642899031566819
Energy: 1.0265057664224724
Energy: 1.1122904521361385
Energy: 1.139452938397505
Energy: 1.0927344779491321
Energy: 1.0737572481536222
Energy: 1.1456734135713602
Energy: 1.1084591446993952
Energy: 1.1804943312147873
Energy: 1.1737152682876881
Energy: 1.1832423578034155
Energy: 1.2233542699683158
Energy: 1.0986943782683176
Energy: 1.1272827780019026
Energy: 1.107777383374539
Energy: 1.1131405940229986
Energy: 1.0757114674825412
Energy: 1.1429627159140825
Energy: 1.0980234477387758
Energy: 0.9978400273627532
Energy: 1.211414028058936
Energy: 1.105795562685956
Energy: 1.2302914570976597
Energy: 1.1241721221108978
Energy: 1.1301266557217426
Energy: 1.1044149476434637
Energy: 1.139161971919734
Energy: 1.2057887941790595
Energy: 1.150451386560306
Energy: 1.1179484477540929
Energy: 1.0267423509429747
Energy: 1.12760596527805
Energy: 1.0798688449356149
Energy: 1.065073356832123
Energy: 1.1350800391926148
Energy: 1.0266893099041876
Energy: 1.1419375771737934
Energy: 1.4145568061313594
Energy: 1.106964157856148
Energy: 1.0776186612583416
Energy: 1.1483978865381845
Energy: 1.0271145022211112
Energy: 1.0308876039288764
Energy: 1.1124941190201385
Energy: 1.0278456135263208
Energy: 1.142126624328056
Energy: 1.1151181459778297
Energy: 1.0623666666884062
Energy: 1.1926190694419267
Energy: 1.1482026440698851
Energy: 1.1842000371707513
Energy: 1.0275527453389959
Energy: 1.1425940887287895
Energy: 1.09079883206437
Energy: 1.0583796935748861
Energy: 1.1443449715745098
Energy: 1.1472986545938317
Energy: 1.1851732262034
Energy: 1.3588545727659584
Energy: 0.9786178887456815
Energy: 1.1452110696893039
Energy: 0.9736348445221735
Energy: 1.128865518896842
Energy: 1.1109732155850442
Energy: 1.1132525990898652
Energy: 1.0349642769066916
Energy: 1.1225971114905877
Energy: 1.1258566404451027
Energy: 1.0447364007824218
Energy: 1.1271983912750927
Energy: 1.1343802363282645
Energy: 1.2276643565678858
Energy: 1.1124708699502737
Energy: 1.12767515799173
Energy: 1.0427001948545003
Energy: 1.1335183493995995
Energy: 1.0730945702197034
Energy: 1.139460517081266
Energy: 1.121544844395882
Energy: 1.0275529102678458
Energy: 1.1639727206375097
Energy: 1.1790138535095362
Energy: 1.1099255522905696
Energy: 1.180408384463361
Energy: 1.087383230960396
Energy: 1.1119429520398216
Energy: 1.4143679851256652
Energy: 1.1168600109571636
Energy: 1.0832744976620836
Energy: 1.1028800692342302
Energy: 1.027372894425544
Energy: 1.031738682049575
Energy: 1.1126221695388647
Energy: 1.0258051422321557
Energy: 1.1062333415451064
Energy: 1.0794179118921978
Energy: 0.9915929935869484
Energy: 1.0269630163680188
Energy: 1.026767085749262
Energy: 1.1135038938548434

minimum gb energy = 0.9736348445221735 eV
minimum distance =  2.32697765892457 Angstroms
sigma value = 21


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

Energy: 1.453338864445564
Energy: 1.3561174837405794
Energy: 1.126817086252428
Energy: 1.3723337924658483
Energy: 1.1307911355430775
Energy: 1.215040576747786
Energy: 1.4921442735015333
Energy: 1.2406244931837882
Energy: 1.0937320346730233
Energy: 1.1174708795632966
Energy: 1.0826072260871398
Energy: 1.0957567184225254
Energy: 1.0697785237446404
Energy: 1.2197149028667291
Energy: 1.19018807984927
Energy: 1.105138479271101
Energy: 1.15567315706534
Energy: 1.1324928769500953
Energy: 1.0941342482557692
Energy: 1.2443228233379358
Energy: 1.148646404397631
Energy: 1.3518769599024578
Energy: 1.1057748576684987
Energy: 1.2790536143415185
Energy: 1.1362084371793268
Energy: 1.2480694322915227
Energy: 1.158936708343829
Energy: 1.106336993216722
Energy: 1.1212253417725462
Energy: 1.1026663721362806
Energy: 1.0679447195224494
Energy: 1.0921412150993
Energy: 1.0375841874781897
Energy: 1.0533031838312554
Energy: 1.0549712742976218
Energy: 1.044907115869953
Energy: 1.0442984820916572
Energy: 1.1193021975063338
Energy: 1.088915910506336
Energy: 1.0839940968635
Energy: 1.001834363317961
Energy: 1.0615862087793368
Energy: 1.2963612447994053
Energy: 1.1460719556548156
Energy: 1.228113772662031
Energy: 1.1942388413098082
Energy: 1.060478254340237
Energy: 1.0696585847634161
Energy: 1.0243285985292598
Energy: 1.1201012231916019
Energy: 1.0330542519301236
Energy: 1.0600517860155345
Energy: 1.08189934532045
Energy: 1.1801245924359813
Energy: 1.1717469072053377
Energy: 1.0711634145524382
Energy: 1.1411226221766448
Energy: 1.060582385088319
Energy: 1.1063762411061142
Energy: 1.157832518330882
Energy: 1.0523118831228344
Energy: 1.118110787248872
Energy: 1.1665839753442027
Energy: 1.2568653957847529
Energy: 1.1920338330837532
Energy: 1.0288457721619453
Energy: 1.1605130464371145
Energy: 1.0889178178748697
Energy: 1.2205109752517858
Energy: 1.3348983915824215
Energy: 1.2345554855618197
Energy: 1.1288422092802732
Energy: 1.1259273138880894
Energy: 1.2271047046648533
Energy: 1.0567720730172243
Energy: 1.0619174645635974
Energy: 1.0830628586205229
Energy: 1.1337130115801206
Energy: 1.090748017988986
Energy: 1.147821087702619
Energy: 1.170439509484672
Energy: 1.2554288745756075
Energy: 1.2583452004454958
Energy: 1.1405897688824949
Energy: 1.2559655427571725
Energy: 1.2262812043082627
Energy: 1.0359490284364516
Energy: 1.157257210407464
Energy: 1.2597409385761036
Energy: 1.1362469843707617
Energy: 1.125068998864621
Energy: 1.256380516073262
Energy: 1.2861319361459904
Energy: 1.1306946252369312
Energy: 1.306410922183493
Energy: 1.1132247327029208
Energy: 1.2083068656997378
Energy: 1.1430590332002768
Energy: 1.11555041248492
Energy: 1.1879055903787366
Energy: 1.1605038428666303
Energy: 1.2282739692973808
Energy: 1.057603655946372
Energy: 1.1210816308146414
Energy: 1.1096896808811079
Energy: 1.2289868261772792
Energy: 1.2180602040624509
Energy: 1.0429395751509936
Energy: 1.164445358844373
Energy: 1.163285994601336
Energy: 1.1693807489783135
Energy: 1.2523171092804715
Energy: 1.1307181840074931
Energy: 1.1723017594335416
Energy: 1.2099526253217938
Energy: 0.9593039525437781
Energy: 1.0161675412650903
Energy: 1.0619869374145825
Energy: 1.0820210840778284
Energy: 1.0745090665182668
Energy: 1.060569117960274
Energy: 1.1198682414178571
Energy: 1.083344509701361
Energy: 1.070150975400931
Energy: 1.0251806735803652
Energy: 1.074163553229273
Energy: 1.2187543539479024
Energy: 1.1006512323993518
Energy: 1.0892881521529636
Energy: 1.2288259296020514
Energy: 1.0461269122591323
Energy: 1.0593918233165915
Energy: 1.0328250380706208
Energy: 1.3670803042086286
Energy: 1.069394739342957
Energy: 1.0610360596414794
Energy: 1.1870889670355533
Energy: 1.1112462974223931
Energy: 1.107435109015458
Energy: 1.030310418364974
Energy: 1.1557547146807807
Energy: 1.1252865576570206
Energy: 1.1034571465395753
Energy: 1.1069637510022567
Energy: 1.2378546468033929
Energy: 1.2541518787759514
Energy: 1.1649392599824835
Energy: 1.3294348842559567
Energy: 1.0472927696446486
Energy: 1.1202846983522785
Energy: 1.1175357976850742
Energy: 1.0692725952032707
Energy: 1.072611196538429
Energy: 1.0873911767321394
Energy: 1.3469087006745395
Energy: 1.2962225918958752
Energy: 1.2699146564094104
Energy: 1.08145685449404
Energy: 1.1436186860589619
Energy: 1.1651253991097714
Energy: 1.0653882618866146
Energy: 1.2483409801148442
Energy: 1.1029579003035788
Energy: 1.1595845243654215
Energy: 1.389888531837181
Energy: 1.2732948644180304
Energy: 1.2729952943364786
Energy: 1.1222299854653073
Energy: 1.3399445719954477
Energy: 1.235333619359424
Energy: 1.253172562405047
Energy: 1.2582723770824449
Energy: 1.1200199684982026
Energy: 1.0876328210040338
Energy: 1.0914853047682243

minimum gb energy = 0.9593039525437781 eV
minimum distance =  2.29024960674042 Angstroms
sigma value = 113


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

Energy: 1.3048577472722542
Energy: 1.655239192423835
Energy: 1.4870536973974695
Energy: 1.2494748158245994
Energy: 1.365405920227749
Energy: 1.320185870577121
Energy: 1.572130173519954
Energy: 1.2803333028380552
Energy: 1.1038306300419938
Energy: 1.309000309799906
Energy: 1.144243600352551
Energy: 1.0988682949195916
Energy: 1.0143033679844413
Energy: 1.1498872928314992
Energy: 1.391233649601343
Energy: 1.1101939995625452
Energy: 1.2216547957177821
Energy: 1.1473747418083187
Energy: 1.2264484740247799
Energy: 1.1970157486722566
Energy: 1.0636164101524617
Energy: 1.2558907187127195
Energy: 1.1938707509637343
Energy: 1.3485520197742322
Energy: 1.3492248763352437
Energy: 1.343209879758599
Energy: 1.3361157645029296
Energy: 1.2056837931939266
Energy: 1.1616590135278482
Energy: 1.2500234204534624
Energy: 1.0968570330806238
Energy: 1.0712143785213117
Energy: 1.0132716053146915
Energy: 1.1251423833300618
Energy: 1.1869173111905056
Energy: 1.1318317082362865
Energy: 1.243075828751999
Energy: 1.2981871139063776
Energy: 1.289709180490927
Energy: 1.1559256379718477
Energy: 1.287902290995231
Energy: 1.2211951892440167
Energy: 1.2553936701501542
Energy: 1.1036966317683916
Energy: 1.1235594983401311
Energy: 1.0955318605908133
Energy: 1.0196218248768216
Energy: 1.213311718636641
Energy: 1.143167817307615
Energy: 1.092163401101896
Energy: 1.0069911227945807
Energy: 1.0991110085667029
Energy: 1.1856720387745088
Energy: 1.092955532569363
Energy: 1.0192550286072544
Energy: 1.0623042069121338
Energy: 1.0833580848606021
Energy: 1.1208560968185732
Energy: 1.231388818574138
Energy: 1.2089453626281164
Energy: 1.248313372335813
Energy: 1.1883103934685884
Energy: 1.187567374388106
Energy: 1.27849212317833
Energy: 1.0756268236843913
Energy: 1.3696349263298635
Energy: 1.0225469031900094
Energy: 1.0137410138017042
Energy: 1.2289179505960386
Energy: 1.0583287965383776
Energy: 1.2775604750680798
Energy: 1.0289537189751163
Energy: 1.1359838986910318
Energy: 1.1569836550342307
Energy: 1.0600244096166769
Energy: 1.275752633402605
Energy: 1.0857900400440332
Energy: 1.0699847354002259
Energy: 1.0352698433138168
Energy: 1.2264118972697484
Energy: 1.2195178650146046
Energy: 1.2205740980771427
Energy: 1.2745400462119814
Energy: 1.0500903678012043
Energy: 1.1866870564734169
Energy: 0.989935486328584
Energy: 1.1586848623997237
Energy: 1.2084920430210304
Energy: 1.186243876138607
Energy: 1.2165958124336311
Energy: 1.0582709979760854
Energy: 1.2837671090494005
Energy: 1.0309055235879856
Energy: 1.2390515463645937
Energy: 1.0452653841084618
Energy: 1.1335043007558219
Energy: 1.0624055599474287
Energy: 1.1220218434667468
Energy: 1.061689142390595
Energy: 1.3115968343533055
Energy: 1.31009996018644
Energy: 1.2184908582726164
Energy: 1.1766951471421354
Energy: 1.18258182059723
Energy: 1.2836995175976105
Energy: 1.1598502207697445
Energy: 1.1272307309713006
Energy: 1.2080966418470256
Energy: 1.1398176022005317
Energy: 1.0509892931308582
Energy: 1.056067820637156
Energy: 1.1252013943015233
Energy: 1.2126926644028544
Energy: 1.153277190011423
Energy: 1.2447570744897358
Energy: 1.1420642451286658
Energy: 1.0499358212170993
Energy: 1.2823232120866972
Energy: 1.2038011231477936
Energy: 1.169769307694833
Energy: 1.2250155146198458
Energy: 1.2741380923091887
Energy: 1.2799429314196042
Energy: 1.1984636899886794
Energy: 1.1530965503437194
Energy: 1.2450875476586225
Energy: 1.204375454612542
Energy: 1.1843567769090855
Energy: 1.1620357210604613
Energy: 1.0992123688925166
Energy: 1.1241409578639356
Energy: 1.1259231140292705
Energy: 1.1968954198682855
Energy: 1.340431261111253
Energy: 1.3232760166188555
Energy: 1.3570641582135168
Energy: 1.342894688093482
Energy: 1.3297072002254122
Energy: 1.2355330539823939
Energy: 1.352702299292644
Energy: 1.381956379260394
Energy: 1.1131624604036707
Energy: 1.2444398796203473
Energy: 1.2646468940130027
Energy: 1.077419134067575
Energy: 1.2809451250912938
Energy: 1.1474311340512247
Energy: 1.3275413526893662
Energy: 1.2080013887241368
Energy: 1.1497803006075356
Energy: 1.2272698574111485
Energy: 0.9878868971118537
Energy: 1.134794813821952
Energy: 1.1480378939458986
Energy: 1.2968050320850362
Energy: 1.2761583750918497
Energy: 1.3844661359521029
Energy: 1.1392894642221902
Energy: 1.3650973467594743
Energy: 1.3212633174799386
Energy: 1.436107671214077
Energy: 1.2513675602898444
Energy: 1.106381750538425
Energy: 1.0782102659236634
Energy: 1.059742136135191
Energy: 1.100124525664115
Energy: 1.015338017914552
Energy: 1.1501994194038445
Energy: 1.1675454985198104
Energy: 1.1764958134511663
Energy: 1.2320047716830616
Energy: 1.300962350019382
Energy: 1.2569860663419103
Energy: 1.20636796087683
Energy: 1.164060851870325
Energy: 1.2801418777064544
Energy: 1.2379312505639446
Energy: 1.350656852023602
Energy: 1.1221867818829894
Energy: 1.1035263352454618
Energy: 1.327813026825351
Energy: 1.1597718803820825
Energy: 1.1962370122384614
Energy: 1.245529689594632
Energy: 1.1287194425787854
Energy: 1.1067072576851908
Energy: 1.0532929708582568
Energy: 1.127194401502142
Energy: 1.0661522979855318
Energy: 1.1326527743886237
Energy: 1.361342054591583
Energy: 1.298307984418902
Energy: 1.3344724418534966
Energy: 1.1543332833784596
Energy: 1.2900694795336485
Energy: 1.2142121693472512
Energy: 1.2538117077506663
Energy: 1.0067198812859657
Energy: 1.1392979554070641
Energy: 1.1907575111136226
Energy: 1.0819403505411758
Energy: 1.0741787557764937
Energy: 1.1408071880049355
Energy: 1.2194303688850534
Energy: 1.015689149823863
Energy: 1.1601691881302116
Energy: 1.2372407321318952
Energy: 1.0616617423142296
Energy: 1.166104412366483
Energy: 1.0575043006506646
Energy: 1.0568886105513247
Energy: 1.1017851101998004
Energy: 1.1538003370896326
Energy: 1.210614982614104
Energy: 1.2489208866661188
Energy: 1.2914992432721721
Energy: 1.1403781074930452
Energy: 1.209005724868313
Energy: 1.1643191530083863
Energy: 1.376640090788465
Energy: 1.0306906187153568
Energy: 0.9969081342470593
Energy: 1.2084025125929974
Energy: 0.9988786170518507
Energy: 1.2794627341881166
Energy: 1.0488200358603716
Energy: 1.2453656053996562
Energy: 1.1387952535680141
Energy: 1.0796035408966904
Energy: 1.274400087849159
Energy: 1.0624021838094015
Energy: 1.0682716986511105
Energy: 0.9842243554014323
Energy: 1.291077850084834
Energy: 1.2507907375076142
Energy: 1.1771153651526889
Energy: 1.2854030454403902
Energy: 1.04479035811054
Energy: 1.181494909368718
Energy: 0.9901803101427086
Energy: 1.1597468784907226
Energy: 1.212098688865509
Energy: 1.1217726813177802
Energy: 1.2391978996351076
Energy: 1.0739718647321648
Energy: 1.345511532823006
Energy: 1.015289913525487
Energy: 1.236734646140655
Energy: 1.0651225886107083
Energy: 1.1160636538532918
Energy: 1.0618086803787037
Energy: 1.122040813816941
Energy: 1.0732238669600753
Energy: 1.2363060936529622
Energy: 1.3094013442973498
Energy: 1.0945058257627545
Energy: 1.1930176639454082
Energy: 1.2021922845550912
Energy: 1.2803021244652917
Energy: 1.16077449013913
Energy: 1.1256374697108757
Energy: 1.1532906010152688
Energy: 1.1124653394116168
Energy: 1.0487314777581014
Energy: 1.0345839292680918
Energy: 1.1272248851594036
Energy: 1.164662051504925
Energy: 1.124100322166952
Energy: 1.2524566326993634
Energy: 1.1848548649883544
Energy: 1.3276116367106843
Energy: 1.2175781038268487
Energy: 1.1557763245143744
Energy: 1.1692476378115173
Energy: 1.104433474083498
Energy: 1.2604640263896376
Energy: 1.2643104559771956
Energy: 1.2281099762545467
Energy: 1.250372078053691
Energy: 1.153193859852679
Energy: 1.280139931442329
Energy: 1.2299055546140198
Energy: 1.1081813902794206
Energy: 1.1308492870987603
Energy: 1.1245415562136332
Energy: 1.1198352690389013
Energy: 1.1768929380839317
Energy: 1.2194975332337001
Energy: 1.396109831331954
Energy: 1.3642365618947458
Energy: 1.3497847154936466
Energy: 1.331633622153143
Energy: 1.2828534634380235
Energy: 1.3483065046697345
Energy: 1.4016296701885433
Energy: 1.2585393924757038
Energy: 1.1795453522476191
Energy: 1.2481864528107558
Energy: 1.0946395820626302
Energy: 1.130133719684485
Energy: 1.148001231503369
Energy: 1.3221877040245842
Energy: 1.1802230639512512
Energy: 1.3382183800434013
Energy: 1.1795574581137505
Energy: 1.1410573961979662
Energy: 1.2717347639253427
Energy: 1.1477845710221461
Energy: 1.2851185643491039
Energy: 1.2969293886461017
Energy: 1.3831030401794249
Energy: 1.1400242943869132
Energy: 1.3643133982005218
Energy: 1.3166744319409553
Energy: 1.3459086190211473

minimum gb energy = 0.9842243554014323 eV
minimum distance =  2.27085432448763 Angstroms
sigma value = 365


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

Energy: 1.1434741146132952
Energy: 1.2637303680197094
Energy: 0.8447553627717399
Energy: 0.8458504461413604
Energy: 0.8458728990202123
Energy: 0.8457954766696314
Energy: 0.8456020111926489
Energy: 1.1085363168623552
Energy: 1.2648833728700828
Energy: 1.1054589783330633
Energy: 1.0885455943133424
Energy: 1.0882100650682263
Energy: 1.1037456505954868
Energy: 1.2649193166529986
Energy: 1.1064818878506393
Energy: 0.9889695489661476
Energy: 1.103305997398675
Energy: 0.8476099918824359
Energy: 0.8476237344424354
Energy: 1.0915535384238209
Energy: 0.8458920266434667
Energy: 1.1066349635662056
Energy: 0.9888049497755091
Energy: 1.1280777617998186
Energy: 0.8458847733794836
Energy: 0.8461927938819344
Energy: 0.8466223521154455
Energy: 0.8460665340034687
Energy: 1.1070247614928146
Energy: 1.2647196494001105
Energy: 1.0823468749097604
Energy: 1.3047978845150157
Energy: 1.0891564316994327
Energy: 1.0795778623829708
Energy: 1.265088780675817
Energy: 1.141964088260836
Energy: 0.9886658333466833
Energy: 0.8460106568022383
Energy: 0.8457997371853264
Energy: 0.8463766104114643
Energy: 0.8458499011823037
Energy: 0.845531146723084
Energy: 1.1072365725668585
Energy: 0.9889168017826331
Energy: 1.104318131717989
Energy: 1.090032851248638
Energy: 1.0897125575731852
Energy: 1.102940872560907
Energy: 0.9899470182877363
Energy: 1.106096697255899
Energy: 0.9885446820292112
Energy: 1.1038349621412307
Energy: 0.8447703159749871
Energy: 1.090694136407573
Energy: 1.1024809025133187
Energy: 0.98844841900305
Energy: 1.1074426487329765
Energy: 0.9888516942317618
Energy: 0.8456395016364039
Energy: 0.8461688892100789
Energy: 0.8463485406340693
Energy: 0.8471150003533788
Energy: 0.8455320628818366
Energy: 1.1069228866640293
Energy: 1.2632878132127625
Energy: 1.0827650502497506
Energy: 1.3055521247227042
Energy: 1.307428818593406
Energy: 1.0796507189210172
Energy: 1.26537649320196
Energy: 1.1087335358186639
Energy: 0.9891005315417841
Energy: 0.84567573686202
Energy: 0.8463792159296598
Energy: 0.8472378278070325
Energy: 0.8455255920657948
Energy: 0.8457684208238593
Energy: 1.1064190941662337
Energy: 0.9893844981947995
Energy: 1.1035858622722756
Energy: 0.8470279091820416
Energy: 0.8448827598918053
Energy: 1.098109683334977
Energy: 0.988874362822692
Energy: 1.107522700983214
Energy: 0.987572935853597
Energy: 1.1052076651548777
Energy: 1.087942882106259
Energy: 1.0914790165641974
Energy: 1.1026970890115737
Energy: 1.2655661631642248
Energy: 1.1433149794074215
Energy: 1.0746620853002928
Energy: 0.8462889824018969
Energy: 0.8458131157233983
Energy: 0.8459368339916384
Energy: 0.8458395407579278
Energy: 0.8456892095412786
Energy: 1.1068389842223318
Energy: 1.264048345650311
Energy: 1.0824990857389454
Energy: 1.1806453081204495
Energy: 1.0885277673741847
Energy: 1.0929132129517
Energy: 1.2651438906012127
Energy: 1.1068020792019817
Energy: 0.9886170729317465
Energy: 1.097706377804336
Energy: 0.8477986154108229
Energy: 0.8474403966028059
Energy: 1.1269975402920471
Energy: 0.8462942365438907
Energy: 1.1067494982505475
Energy: 0.9922437379794385
Energy: 1.1043044109808702
Energy: 0.8466117441192821
Energy: 0.8472313555947368
Energy: 1.0947126797638214
Energy: 0.8465188616197707
Energy: 1.1077535471637905
Energy: 1.2644452411338845
Energy: 1.1026814182157683
Energy: 1.0877267204324559
Energy: 1.0888426152473267
Energy: 1.0929004142412118
Energy: 1.264999707719154
Energy: 1.1430250416528922
Energy: 1.0746406144765672
Energy: 0.8457858884348732
Energy: 0.8458898011995023
Energy: 0.845880232614359
Energy: 0.8460783179190574
Energy: 0.8451267336847568
Energy: 1.108336098026696
Energy: 1.264835803252116
Energy: 1.105038311311654
Energy: 1.0912234339161986
Energy: 1.088237788373808
Energy: 1.1036499645394116
Energy: 1.2652148161044292

minimum gb energy = 0.8447553627717399 eV
minimum distance =  2.30279805521877 Angstroms
sigma value = 23