Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001
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=2.863645769655704
cohesive_energy=4.290547130055596
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=[2.31359112479502e-19, 3.0632015065445995e-19, 3.62521302621912e-19, 4.08149690981598e-19, 4.466227584938399e-19, 4.79762179991496e-19, 5.086830704118299e-19, 5.3413364624292e-19, 5.56642625773986e-19, 5.76580111807482e-19, 5.942585287870379e-19, 6.09914998854486e-19, 6.2374338538253995e-19, 6.35899099504698e-19, 6.465183262348499e-19, 6.557116157607419e-19, 6.635750986804139e-19, 6.701952925321019e-19, 6.75642693087702e-19, 6.79986193942476e-19, 6.8328026910198e-19, 6.85577790395136e-19, 6.86926823120964e-19, 6.87367421695314e-19, 6.868915752350159e-19, 6.853454747832059e-19, 6.825304504372679e-19, 6.782045735254679e-19, 6.72082656606954e-19, 6.638122208222459e-19, 6.529718937166019e-19, 6.39047376590508e-19, 6.21402605320266e-19, 5.99257319885118e-19, 5.71635794714958e-19, 5.3732037556794595e-19, 4.947665641689059e-19, 4.42010091964554e-19, 3.7651631551990193e-19, 2.94983148792276e-19, 1.93067090926902e-19, 6.49483955184384e-20, -9.72639777908916e-20, -3.04471238818824e-19, -5.72007499694046e-19, -9.21983759271738e-19, -1.387053979529454e-18, -2.01696414277626e-18, -2.89026256067064e-18, -4.1364195248295e-18, -5.980444721731799e-18, -8.840153773992059e-18, -1.356112744373646e-17, -2.20654970387748e-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: 0.01614926939992946
Energy: 1.345673915808649
Energy: 1.2659187409242592
Energy: 0.016829886009919182
Energy: 0.01664725742680265
Energy: 1.3457906298077178
Energy: 0.016395798341635546
Energy: 0.17462786966497662
Energy: 0.2163066991407118
Energy: 0.17412293629084702
Energy: 0.17488235975458907
Energy: 0.21455366625288955
Energy: 0.21496775951693797
Energy: 0.174347398143439
Energy: 0.17471701805803613
Energy: 0.2149073162659996
Energy: 0.21460600268341307
Energy: 0.1746937384870833
Energy: 0.17450183598198601
Energy: 0.21504033187443372
Energy: 0.17421719214072137
Energy: 0.17519431140362998
Energy: 0.21479783538182268
Energy: 0.21569738926642223
Energy: 0.17444988636023365
Energy: 0.17517144939014706
Energy: 0.21557489050781947
Energy: 0.17421314397330837
Energy: 0.17442554555086745
Energy: 0.21528352206160115
Energy: 0.17424452543136945
Energy: 0.17466993111090076
Energy: 0.17441852665409752
Energy: 0.21464534663977392
Energy: 0.1743716280940949
Energy: 0.01667216125155519
Energy: 0.21473990016778544
Energy: 0.17413924457229119
Energy: 0.0170515483877829
Energy: 0.017152409019091132
Energy: 0.21524886700076737
Energy: 0.1747002611908142

minimum gb energy = 0.01614926939992946 eV
minimum distance =  2.44919590691623 Angstroms
sigma value = 5


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

Energy: 2.4229294810614497
Energy: 1.3274958263010765
Energy: 1.2169958113141124
Energy: 1.3449341110601924
Energy: 1.3443982080108776
Energy: 1.2170248003746629
Energy: 1.1930728361402587
Energy: 1.2419171541156828
Energy: 1.1884511021016757
Energy: 1.2229022364373325
Energy: 1.2377321236267655
Energy: 1.1857042559628659
Energy: 1.165168211020975
Energy: 1.20018408705475
Energy: 1.1954296601013759
Energy: 1.243263988655535
Energy: 1.2207369841599995
Energy: 1.2056385161030247
Energy: 1.2141533753473535
Energy: 1.245419612544019
Energy: 1.2057908689687957
Energy: 1.1945895600726666
Energy: 1.2375676346613014
Energy: 1.213348730038598
Energy: 1.194035039209659
Energy: 1.2135361754362795
Energy: 1.2232556344238261
Energy: 1.2023554410718738
Energy: 1.1921528392607743
Energy: 1.2302188427875558
Energy: 1.2135133992759024
Energy: 1.2019336837886805
Energy: 1.2077113136457356
Energy: 1.2229131733399543
Energy: 1.2040151698161987
Energy: 1.2394683784187293
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Energy: 1.2051714575383916
Energy: 1.2205603060521164
Energy: 1.2400460781302576
Energy: 1.1958252615596783
Energy: 1.2154470306483065
Energy: 1.239102653272601
Energy: 1.1953777264476768
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Energy: 1.2078655323012584
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Energy: 1.2362152485967806
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Energy: 1.1632139497339593
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Energy: 1.179206605991212
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Energy: 1.2009837247409711
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Energy: 1.1662067794694781
Energy: 1.212992918816695
Energy: 1.1851866888201614
Energy: 1.2403249446943205
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Energy: 1.1265046981344842
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Energy: 1.2080498602510865
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Energy: 1.127363917781662
Energy: 1.227355633986149
Energy: 1.149074829397762
Energy: 1.129792504142708
Energy: 1.2476624375952738
Energy: 1.1717159019408507
Energy: 1.1373753901410835
Energy: 1.1465720328687141
Energy: 1.2380514945419157
Energy: 1.145448149130094
Energy: 1.1282086505497575
Energy: 1.175881571720091
Energy: 1.1995293678690406
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Energy: 1.176790470628316
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Energy: 1.1903599571555454
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Energy: 1.1883861032270253
Energy: 1.1816654639374822
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Energy: 1.2241901820569117
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Energy: 1.203399510586469
Energy: 1.140932904046602
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Energy: 1.1862488525533965
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Energy: 1.1230944459251622
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Energy: 1.1566401336857361
Energy: 1.1230656687968448
Energy: 1.179387306391535
Energy: 1.1769206284671174
Energy: 1.1722013000574925
Energy: 1.1718209707473735
Energy: 1.21111482931543
Energy: 1.1749087501927518
Energy: 1.1843468564222583
Energy: 1.226498123243265
Energy: 1.156701614329178
Energy: 1.170461170265032
Energy: 1.168935473670541
Energy: 1.155126360354058
Energy: 1.17314835333199
Energy: 1.1861542325883119
Energy: 1.1717687279308096
Energy: 1.1636336934057412
Energy: 1.1663969153629157
Energy: 1.1782863285239273
Energy: 1.1604568036346699
Energy: 1.1752727956477118
Energy: 1.191024834691232
Energy: 1.1752417574151601
Energy: 1.2035850351794848
Energy: 1.2075028961006808
Energy: 1.1707452708062385
Energy: 1.1929859080956446
Energy: 1.2049552569818707
Energy: 1.1834359030054773
Energy: 1.2327136972155133
Energy: 1.1921241039256518
Energy: 1.240722171711102
Energy: 1.2170637050834754
Energy: 1.1933250483795976
Energy: 1.2001611511522414
Energy: 1.2205450233428465
Energy: 1.2071875988773975
Energy: 1.191855158534735
Energy: 1.23727711356069
Energy: 1.2177298086213537
Energy: 1.2029391323001608
Energy: 1.2128030546672728
Energy: 1.2293919962991213
Energy: 1.2036201595247562
Energy: 1.1915889542452691
Energy: 1.1592003853481399
Energy: 1.2179632306076806
Energy: 1.228543780567499
Energy: 1.223919086692498
Energy: 1.2326300600998232
Energy: 1.241005744288805
Energy: 1.1980309481879021
Energy: 1.2183039522947317
Energy: 1.1529349807259988
Energy: 1.157276026509383
Energy: 1.1574541734500345
Energy: 1.1701767108681547
Energy: 1.1876568312738194

minimum gb energy = 1.1230656687968448 eV
minimum distance =  2.31103137572598 Angstroms
sigma value = 401


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

Energy: 2.0488061099904162
Energy: 1.2970887384262682
Energy: 1.4999494327903122
Energy: 1.2024001642570135
Energy: 1.2080366998113587
Energy: 1.3263830354886972
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Energy: 1.128286683196899
Energy: 1.129323849498453
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Energy: 1.1816617195260264
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Energy: 1.1792656806812516
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Energy: 1.2158743134916394
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Energy: 1.2671826441681855
Energy: 1.2718788719322356
Energy: 1.3587657313759836
Energy: 1.2451011385418018
Energy: 1.2593125696110201
Energy: 1.2576223654775551
Energy: 1.2637042715091318
Energy: 1.2472088015069869
Energy: 1.254833093006303
Energy: 1.336528257307058
Energy: 1.2432199904867802
Energy: 1.2624157883271747
Energy: 1.2655747166658298
Energy: 1.2480999470445584
Energy: 1.246106619729246
Energy: 1.2602037000784927
Energy: 1.2260494670140818
Energy: 1.2645466695526213
Energy: 1.28515367265512
Energy: 1.2384159848211769
Energy: 1.240866396878623
Energy: 1.2364523982093718
Energy: 1.3234748957194231
Energy: 1.2817131809311617
Energy: 1.2212158363813657
Energy: 1.2239632683703787
Energy: 1.2251867199354702
Energy: 1.2162448477957757
Energy: 1.2226687935356226
Energy: 1.2369858673546128
Energy: 1.1895936652951007
Energy: 1.256404902900182
Energy: 1.2558093002052775
Energy: 1.2510563345575276
Energy: 1.245243818091631
Energy: 1.2058682800974196
Energy: 1.2845272729259496
Energy: 1.3513620336929242
Energy: 1.2464635462597382
Energy: 1.2403321696919036
Energy: 1.3078503316570371
Energy: 1.2464253682193172
Energy: 1.2466225412738574
Energy: 1.2581523654508753
Energy: 1.434165307913425
Energy: 1.3276944260597627
Energy: 1.2285367554633024
Energy: 1.2307378856689681
Energy: 1.2451176111860376
Energy: 1.2286892355258674
Energy: 1.227848229969357
Energy: 1.358737095724352
Energy: 1.2397812607533292
Energy: 1.2513232905758123
Energy: 1.2828786855931111
Energy: 1.2490449954960592
Energy: 1.2506544443087195
Energy: 1.2307224088538775
Energy: 1.1928784420509575
Energy: 1.2332081334788136
Energy: 1.205891571245401
Energy: 1.2376244570745663
Energy: 1.2462293335251795
Energy: 1.2531450468109977
Energy: 1.2182964024859404
Energy: 1.2264548676935612
Energy: 1.227159802729734
Energy: 1.222714853687208
Energy: 1.2337639739156434
Energy: 1.2446087658969491
Energy: 1.2510557772632516
Energy: 1.2109732764967491
Energy: 1.2260807774215086
Energy: 1.2297851300684588
Energy: 1.2249135737467198
Energy: 1.2283365661911818
Energy: 1.2307436321312384
Energy: 1.2231045266145264
Energy: 1.2122855035959754
Energy: 1.2065424377027887
Energy: 1.2533872930133663
Energy: 1.3299366750417032
Energy: 1.2090959610845298
Energy: 1.2363220007831215
Energy: 1.2765146553219417
Energy: 1.2268359621944989
Energy: 1.203382104057415
Energy: 1.1870406020381268
Energy: 1.3048902867233696
Energy: 1.2163928962738453
Energy: 1.2259856346429694
Energy: 1.3083582211014377
Energy: 1.2843487969786087
Energy: 1.206683840536438
Energy: 1.220253111140985
Energy: 1.2462812536302006
Energy: 1.2111782849643413
Energy: 1.2238468655907007
Energy: 1.2740567065892978
Energy: 1.2084904464332251
Energy: 1.200099340553167
Energy: 1.2162488561596558
Energy: 1.2407121566904635
Energy: 1.16776517487225
Energy: 1.2000885760565447
Energy: 1.2010696545193524
Energy: 1.1814751385488054

minimum gb energy = 1.1276266678771965 eV
minimum distance =  2.32087422080877 Angstroms
sigma value = 311


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

Energy: 1.4083305938745518
Energy: 1.3937167732690345
Energy: 1.3655915179196103
Energy: 1.336956531115867
Energy: 1.4162399331310644
Energy: 1.2935876554895778
Energy: 1.3645874355562773
Energy: 1.2652443666183308
Energy: 1.245954714629715
Energy: 1.19250207219895
Energy: 1.2001840297062834
Energy: 1.206315699229979
Energy: 1.1931384074333682
Energy: 1.1976022889687878
Energy: 1.1857746187224212
Energy: 1.2639634943888627
Energy: 1.1870443735711333
Energy: 1.189726258706313
Energy: 1.1825424301770442
Energy: 1.2005862077071454
Energy: 1.1982345619644463
Energy: 1.1455279421906748
Energy: 1.2709414156981191
Energy: 1.2436275643323782
Energy: 1.1560023802133361
Energy: 1.1870683205448562
Energy: 1.178195821381325
Energy: 1.2616709824394765
Energy: 1.2492274540485986
Energy: 1.2507207104041578
Energy: 1.3070102542687594
Energy: 1.2168686663532344
Energy: 1.1876949678010769
Energy: 1.2490291725738867
Energy: 1.2221159608201941
Energy: 1.356345586799598
Energy: 1.3596987165458863
Energy: 1.270398849953242
Energy: 1.3412919823997693
Energy: 1.3562961803885716
Energy: 1.3706167278233594
Energy: 1.322213794839909
Energy: 1.3570517120154637
Energy: 1.351561356314079
Energy: 1.2445756021349403
Energy: 1.383551244850039
Energy: 1.3457898740736183
Energy: 1.3327335764377342
Energy: 1.3668676643193778
Energy: 1.235674987185971
Energy: 1.2522280855582852
Energy: 1.2591904376776997
Energy: 1.2468578694340746
Energy: 1.2398140476294581
Energy: 1.252624850255666
Energy: 1.232653371334123
Energy: 1.2986258408083196
Energy: 1.2143740208855929
Energy: 1.2360423165775987
Energy: 1.2093551971034475
Energy: 1.2260738154573363
Energy: 1.2179112208227896
Energy: 1.257897417835268
Energy: 1.273969082129548
Energy: 1.327313681014668
Energy: 1.333102050765736
Energy: 1.2924453947754577
Energy: 1.2580750948064798
Energy: 1.3327557030175015
Energy: 1.2858537171183593
Energy: 1.2092452217759084
Energy: 1.2138552522824633
Energy: 1.2128442993239026
Energy: 1.2249771205249167
Energy: 1.2117726171849046
Energy: 1.212640172109979
Energy: 1.2033619842472973
Energy: 1.3413128545865665
Energy: 1.3341730053977594
Energy: 1.2602063234725527
Energy: 1.3269067367969936
Energy: 1.3231703434624587
Energy: 1.1843513878316962
Energy: 1.3629689423241487
Energy: 1.3401249289469752
Energy: 1.3535558733585669
Energy: 1.3232216668565426
Energy: 1.3258926665542796
Energy: 1.3369050793260382
Energy: 1.3509566270333675
Energy: 1.3400469379651194
Energy: 1.196697943302995
Energy: 1.224737097513234
Energy: 1.215381347906016
Energy: 1.202297060440335
Energy: 1.2017850096508074
Energy: 1.2011840059133714
Energy: 1.2077698668569483
Energy: 1.2008946499338584
Energy: 1.2223004478175528
Energy: 1.2962288732444782
Energy: 1.2062664387333857
Energy: 1.208176277378994
Energy: 1.2174904073915642
Energy: 1.2418743109309485
Energy: 1.222869144140639
Energy: 1.288733263390667
Energy: 1.2455426068727278
Energy: 1.2410215233357338
Energy: 1.215910103723672
Energy: 1.2418394300728997
Energy: 1.2000475249935978
Energy: 1.2697207024610644
Energy: 1.226525318408279
Energy: 1.2222123826499822
Energy: 1.253604032821288
Energy: 1.2665182706012532
Energy: 1.2137950936349935
Energy: 1.214468142185851
Energy: 1.3725939637454254
Energy: 1.3159615727124794
Energy: 1.3531927099735688
Energy: 1.3531715763132175
Energy: 1.3546610555106702
Energy: 1.359042875661215
Energy: 1.3622946591004572
Energy: 1.36142967117202
Energy: 1.3407210907559577
Energy: 1.350464888225683
Energy: 1.359381868358313
Energy: 1.384010344871402
Energy: 1.3114816120472885
Energy: 1.312077150908492
Energy: 1.26185443861554
Energy: 1.269822824524348
Energy: 1.2190051863597307
Energy: 1.2527932487120794
Energy: 1.2045219228401645
Energy: 1.199999455455201
Energy: 1.2606832208593741
Energy: 1.356833581801706
Energy: 1.2416788459983084
Energy: 1.3075604706402195
Energy: 1.2500302684265072
Energy: 1.2209414284571767
Energy: 1.3398368938437677
Energy: 1.2645629930698898
Energy: 1.3630390084918815
Energy: 1.2268816515019023
Energy: 1.2060459553375904
Energy: 1.2130125767269249
Energy: 1.1823940167341829
Energy: 1.2175721907945471
Energy: 1.26447508895063
Energy: 1.2591123278140761
Energy: 1.2436669108318505
Energy: 1.2048184400007482
Energy: 1.2236854337959306
Energy: 1.200419602521938
Energy: 1.206527283364644
Energy: 1.2003387202467986
Energy: 1.3151390540873777
Energy: 1.3431814446751853
Energy: 1.2982721475964858
Energy: 1.2907427715364888
Energy: 1.2197956768898666
Energy: 1.3291088849952875
Energy: 1.295756582809162
Energy: 1.3162541025325472
Energy: 1.164970528932672
Energy: 1.1135503243427567
Energy: 1.2912758342656532
Energy: 1.3262947184631262
Energy: 1.3296221037349025
Energy: 1.296370892366367
Energy: 1.2324032737212713
Energy: 1.1808240096395806
Energy: 1.2051920679325618
Energy: 1.2108507713963472
Energy: 1.2033081827764156
Energy: 1.2024781564309106
Energy: 1.209772637656691
Energy: 1.3218749365648494
Energy: 1.2090404756774156
Energy: 1.2063484008650358
Energy: 1.2251996188650667
Energy: 1.2206659922628214
Energy: 1.211778212124623
Energy: 1.3356447668042826
Energy: 1.270990084861996
Energy: 1.2100452263899273
Energy: 1.1578627134504536
Energy: 1.1718173051015917
Energy: 1.1468422439560229
Energy: 1.2712365591524803
Energy: 1.1882120953102042
Energy: 1.234830492793835
Energy: 1.2222601475053487
Energy: 1.192314974457066
Energy: 1.1993147684004004
Energy: 1.1949004723597532
Energy: 1.2303903463683385
Energy: 1.2802147927386773
Energy: 1.3750651880655043
Energy: 1.4474928990053704
Energy: 1.4283681394452985
Energy: 1.3548037978539895
Energy: 1.3658541626980079
Energy: 1.3244565699254305
Energy: 1.3493361818095844
Energy: 1.361150880984613
Energy: 1.3475431021980004
Energy: 1.2058284149135663
Energy: 1.2062498882816757
Energy: 1.22094017739028
Energy: 1.2002211031769383
Energy: 1.3407933172842006
Energy: 1.244034505458714
Energy: 1.2635442201104787
Energy: 1.2345618660591615
Energy: 1.2536923767798498
Energy: 1.201325288413964
Energy: 1.2294490765054162
Energy: 1.227892074747369
Energy: 1.2390452014592162
Energy: 1.2895735731772633
Energy: 1.2913360452674425
Energy: 1.2338565594276198
Energy: 1.415401046527991
Energy: 1.2539232117258783
Energy: 1.2516252812895035
Energy: 1.2410937873637597
Energy: 1.2290921802081394
Energy: 1.2351813817500767
Energy: 1.2000787203875074
Energy: 1.1800526184748743
Energy: 1.1993383820591055
Energy: 1.1936832620053301
Energy: 1.340664372399248
Energy: 1.3733120286745781
Energy: 1.2099321088821993
Energy: 1.187511344560225
Energy: 1.1994514716408513
Energy: 1.1910422841089798
Energy: 1.3071764985660126
Energy: 1.330405078810553
Energy: 1.2998899066778276
Energy: 1.289456321721766
Energy: 1.3390635919281368
Energy: 1.3378495722148709
Energy: 1.2960879325364814
Energy: 1.3207328316862306

minimum gb energy = 1.1135503243427567 eV
minimum distance =  2.3002782875011 Angstroms
sigma value = 39


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

Energy: 1.5504556353763728
Energy: 1.2208091534547134
Energy: 1.328127944908673
Energy: 1.2880649180994057
Energy: 1.2874893501377411
Energy: 1.2422175765006398
Energy: 1.2877889698338414
Energy: 1.2167959654918654
Energy: 1.127638758090365
Energy: 1.1784665809639563
Energy: 1.2312027187504873
Energy: 1.1271585669965623
Energy: 1.1218824245621029
Energy: 1.216884096642933
Energy: 1.215170753784807
Energy: 1.1271745113125535
Energy: 1.177120144940484
Energy: 1.2315176281694644
Energy: 1.1772650618977654
Energy: 1.1278810781485422
Energy: 1.176719953388228
Energy: 1.215274110731506
Energy: 1.0936231477435647
Energy: 1.2208650233685858
Energy: 1.2153215844324268
Energy: 1.0955967841309135
Energy: 1.0930663549383612
Energy: 1.2216073765370745
Energy: 1.1687756142137453
Energy: 1.126408214738385
Energy: 1.1717424447623324
Energy: 1.1687421706132155
Energy: 1.1263354117803983
Energy: 1.1263238051697317
Energy: 1.1685347791327254
Energy: 1.1630464421364575
Energy: 1.1198647580388255
Energy: 1.1716025314674803
Energy: 1.168768481709776
Energy: 1.127231224215845
Energy: 1.122532717562776
Energy: 1.1693681701229721
Energy: 1.163414143170957
Energy: 1.1148209110671383
Energy: 1.1134748908349075
Energy: 1.2050362129250118
Energy: 1.1137947338886973
Energy: 1.1201795169090898
Energy: 1.163404519777737
Energy: 1.1686699516290628
Energy: 1.121396521154286
Energy: 1.127169399991215
Energy: 1.16937426835683
Energy: 1.1696316466498362
Energy: 1.1262112209522217
Energy: 1.163822592785542
Energy: 1.220345769094725
Energy: 1.2193080380332133
Energy: 1.121743584810971
Energy: 1.221456080324374
Energy: 1.2235109640919495
Energy: 1.1149356905753793
Energy: 1.2225792357984737
Energy: 1.2210236272266333
Energy: 1.2192437975459032
Energy: 1.1146124879363333
Energy: 1.2736099885879306
Energy: 1.2186846902665318
Energy: 1.23616156853717
Energy: 1.2047231810926715
Energy: 1.1763023895151563
Energy: 1.1278588236377574
Energy: 1.1772966913053347
Energy: 1.2323255172318723
Energy: 1.1791976583007273
Energy: 1.1266528415922357
Energy: 1.2330699599562966
Energy: 1.2163767063116049
Energy: 1.0931799421843653
Energy: 1.1721828112146409
Energy: 1.2173218781050552
Energy: 1.1780141228961516
Energy: 1.127158412933446
Energy: 1.2168362536936477
Energy: 1.2235023083418388
Energy: 1.1933671103734196
Energy: 1.3398945087578453
Energy: 1.2882282961071525
Energy: 1.234416013991745
Energy: 1.0940079478997269
Energy: 1.339523885858466
Energy: 1.2151406109657628
Energy: 1.126966590696113
Energy: 1.177214653599228
Energy: 1.235134098587786
Energy: 1.1773015853062898
Energy: 1.1275522074689754
Energy: 1.2311854747884974
Energy: 1.294174063922091
Energy: 1.219126410711343
Energy: 1.177608992519221
Energy: 1.216359545483721
Energy: 1.2214160433111756
Energy: 1.1269467923531742
Energy: 1.2150503821506817
Energy: 1.3389145643468614
Energy: 1.2549153592773454
Energy: 1.183018228880516
Energy: 1.2867045631006657
Energy: 1.288140359745183
Energy: 1.19089272965572
Energy: 1.2783141447445352
Energy: 1.2314513693559785
Energy: 1.12724130270178
Energy: 1.1788136071159214
Energy: 1.2311483399721344
Energy: 1.1269878393423076
Energy: 1.1209615792399492
Energy: 1.216672552483757
Energy: 1.2149604787882442
Energy: 1.127132307621431
Energy: 1.1771599849013006
Energy: 1.2315717698470752
Energy: 1.1774331190483254
Energy: 1.127824878305909
Energy: 1.178680600913131
Energy: 1.2158007584136301
Energy: 1.0936786576642843
Energy: 1.2208575149944094
Energy: 1.2151827636989316
Energy: 1.0952740901495481
Energy: 1.0929832264955153
Energy: 1.2213861656946974
Energy: 1.169274246435934
Energy: 1.1264301665539485
Energy: 1.1716488511789185
Energy: 1.169055693245449
Energy: 1.1264113144103995
Energy: 1.1263502511768715
Energy: 1.1685082438361332
Energy: 1.1664698240783604
Energy: 1.1197887992685487
Energy: 1.1713301928113151
Energy: 1.1688449750183616
Energy: 1.1273383104498431
Energy: 1.122368773805949
Energy: 1.1694135075110763
Energy: 1.1634777539329653
Energy: 1.1150150683172646
Energy: 1.113348775666949
Energy: 1.2054322161645088
Energy: 1.1137380128283165
Energy: 1.1203424774532202
Energy: 1.1632385086390964
Energy: 1.1686971734763254
Energy: 1.1213898289844235
Energy: 1.1263415047882352
Energy: 1.1693090844640355
Energy: 1.1744614618244504
Energy: 1.1213525750034057
Energy: 1.1691443257856824
Energy: 1.2203457675459062
Energy: 1.2192552175411495
Energy: 1.1216893941199475
Energy: 1.2212020054288804
Energy: 1.2188939215387795
Energy: 1.1157419619138733
Energy: 1.2207066042846841
Energy: 1.2209786416730841
Energy: 1.2191811474411431
Energy: 1.1147132156305604
Energy: 1.2737524413038697
Energy: 1.2186790784702382
Energy: 1.235426630574195
Energy: 1.2145053546853215
Energy: 1.1764026498595455
Energy: 1.127810439923974
Energy: 1.1772466651951499
Energy: 1.2319663676484727
Energy: 1.177039357557199
Energy: 1.126564192749888
Energy: 1.2328462770652142
Energy: 1.216385262145358
Energy: 1.093191594188548
Energy: 1.1720995146766344
Energy: 1.2170692056857118
Energy: 1.1772224841664
Energy: 1.127448465464719
Energy: 1.2780222024976164
Energy: 1.268552531706336
Energy: 1.0934335596424267
Energy: 1.3396191621836557
Energy: 1.2779602792143228
Energy: 1.2336534259356926
Energy: 1.0933378256574724
Energy: 1.3394583619971105
Energy: 1.2174275789149889
Energy: 1.127040125482956
Energy: 1.1774195327934627
Energy: 1.2348352109316325
Energy: 1.1770527526489616
Energy: 1.1274181215746586
Energy: 1.2318668393560606
Energy: 1.2789960521318746
Energy: 1.21912092711111
Energy: 1.1697710184385801
Energy: 1.217039770108172
Energy: 1.2210330975546098
Energy: 1.2285005770758117
Energy: 1.2150666989204306

minimum gb energy = 1.0929832264955153 eV
minimum distance =  2.30314721400988 Angstroms
sigma value = 21


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

Energy: 1.7531272713495634
Energy: 1.0742694755137014
Energy: 1.1246400725971286
Energy: 1.1740002846338229
Energy: 1.1767303468640806
Energy: 1.000832702798827
Energy: 1.1813201603669798
Energy: 1.1670474657280747
Energy: 1.111675589924854
Energy: 1.0936270473456655
Energy: 1.130447262759116
Energy: 1.0937928324891062
Energy: 1.0924962396401436
Energy: 1.1672352374630797
Energy: 1.0810242132900272
Energy: 1.0907806815026284
Energy: 1.1349374016599787
Energy: 1.0876605890554503
Energy: 1.093204994820823
Energy: 1.0936410329230086
Energy: 1.1356489286759168
Energy: 1.2106495501135068
Energy: 1.0584934606503318
Energy: 1.0740654258414857
Energy: 1.1170597257399693
Energy: 1.0503294036276551
Energy: 1.068867934611641
Energy: 1.1183143459562144
Energy: 1.065989651968247
Energy: 1.0502319406150036
Energy: 1.1357823357799581
Energy: 1.0912771540836799
Energy: 1.0928982849120221
Energy: 1.0690698211101082
Energy: 1.1144907744855794
Energy: 1.0544334164835818
Energy: 1.092218967367836
Energy: 1.135903106577923
Energy: 1.0883303990752042
Energy: 1.0733782357995205
Energy: 1.092617586360496
Energy: 1.1675378414413835
Energy: 1.0151301468106841
Energy: 1.0557019195372845
Energy: 1.0226783355221394
Energy: 1.030281457371577
Energy: 1.0148923701370423
Energy: 1.0793578199794027
Energy: 1.0459705158694772
Energy: 1.0153951732520305
Energy: 1.0214332734482956
Energy: 1.0646383820717404
Energy: 1.0299703101372788
Energy: 1.0146437592784874
Energy: 1.0940484074229224
Energy: 1.0041661397760369
Energy: 1.0533731734788614
Energy: 1.014784431059725
Energy: 1.1044764315774682
Energy: 1.0518563533394878
Energy: 1.0521934993003879
Energy: 1.1058716396882085
Energy: 1.071055488850784
Energy: 0.9914428476848671
Energy: 0.9913851385351304
Energy: 1.0339177521520375
Energy: 0.9923576121219818
Energy: 0.9925528083340031
Energy: 0.985889899382626
Energy: 1.0405131253126978
Energy: 1.0316958675173733
Energy: 1.038378355064565
Energy: 0.9919860087330944
Energy: 1.0751716725623202
Energy: 1.0318075307483967
Energy: 0.9925243505536943
Energy: 1.0762315514292764
Energy: 0.9920601407274635
Energy: 0.9919148728099559
Energy: 1.0320688616414784
Energy: 1.0728546230499492
Energy: 0.991866279053518
Energy: 1.0366536346854076
Energy: 1.077589401242556
Energy: 1.0137484735820834
Energy: 1.0151993040000136
Energy: 0.9912715353058857
Energy: 0.9917192552684678
Energy: 1.0857813997467727
Energy: 0.9914921790080082
Energy: 0.991741901905216
Energy: 1.065096867645886
Energy: 1.0070526091245309
Energy: 0.9912410604202777
Energy: 1.0506575918716088
Energy: 1.00670784014844
Energy: 0.9915042076223988
Energy: 0.9920215089876434
Energy: 1.0513117366651539
Energy: 1.079671240388302
Energy: 1.0149595372711402
Energy: 1.029581131074535
Energy: 1.0948274304975987
Energy: 1.0147796129373303
Energy: 1.052530663323035
Energy: 1.114988679366445
Energy: 1.0824434381125811
Energy: 1.014701388494925
Energy: 1.0301473741149214
Energy: 1.0606609822305832
Energy: 1.0152689187840576
Energy: 1.0306929978949269
Energy: 1.114747434974369
Energy: 1.0779075824257283
Energy: 1.0150306945964402
Energy: 1.1090285678877674
Energy: 1.0600229619286254
Energy: 1.01501565932502
Energy: 1.0526511636853926
Energy: 1.134947875989011
Energy: 1.0912800328583905
Energy: 1.0933892347123337
Energy: 1.0846766270011257
Energy: 1.0933185560307541
Energy: 1.0943481402286972
Energy: 1.0840636342322325
Energy: 1.1220925785712605
Energy: 1.0735523534252651
Energy: 1.1379294459280118
Energy: 1.116070839260224
Energy: 1.0688205255671863
Energy: 1.0507563554827215
Energy: 1.0518455603851133
Energy: 1.1350181348626922
Energy: 1.093667731302328
Energy: 1.0703587577253875
Energy: 1.115207335490063
Energy: 1.0934460196650777
Energy: 1.090160923220447
Energy: 1.1828361885936611
Energy: 1.1352126235169608
Energy: 1.09092451180639
Energy: 1.135120297368169
Energy: 1.1528977653036891
Energy: 1.0939819425335393
Energy: 1.0947617722708243
Energy: 1.1705272077831816
Energy: 1.1888662974776592
Energy: 1.0505729642145716
Energy: 1.2231446712344352
Energy: 1.176739180049419
Energy: 1.0507899667338685
Energy: 1.108560945625111
Energy: 1.2445977151184977
Energy: 1.1669029416692864
Energy: 1.0505386948789441
Energy: 1.0728588927592342
Energy: 1.176571184494118
Energy: 1.0502420818838836
Energy: 1.0691146103824283
Energy: 1.2352305293516992
Energy: 1.1668579219906572
Energy: 1.1101078184589983
Energy: 1.1356865678502026
Energy: 1.1525496112707843
Energy: 1.0942684057041894
Energy: 1.1120497295321723
Energy: 1.169442266446407
Energy: 1.1952588140981264
Energy: 1.0940265509360223
Energy: 1.112597582944067
Energy: 1.1954405093995346
Energy: 1.2107947355156827
Energy: 1.110207689833391
Energy: 1.1827741203517705

minimum gb energy = 0.985889899382626 eV
minimum distance =  2.29534863844536 Angstroms
sigma value = 113


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

Energy: 1.7472643508646206
Energy: 0.9746180358494169
Energy: 0.9590147519293031
Energy: 1.0435382133578082
Energy: 1.0429299688987503
Energy: 1.0283919206470222
Energy: 0.9503720120249921
Energy: 0.9835629488223645
Energy: 1.0072664295903673
Energy: 0.9852648213380564
Energy: 0.9841923679146357
Energy: 1.0144803255488475
Energy: 1.0072841204591567
Energy: 0.9998021755552265
Energy: 1.0050374505756945
Energy: 1.021322501723564
Energy: 1.0067548069408987
Energy: 0.9824054157268987
Energy: 0.9721315665481761
Energy: 1.0013681204958038
Energy: 0.9866022649843567
Energy: 0.9694295923105096
Energy: 0.9952846319461066
Energy: 0.9843126173228465
Energy: 0.9385098673227831
Energy: 0.9470220731231564
Energy: 0.9842066867330295
Energy: 0.9743146415674209
Energy: 0.9242874274857006
Energy: 0.9907980815642107
Energy: 0.9712486092376202
Energy: 0.9797581075938342
Energy: 0.9631833859319138
Energy: 0.9843356396035453
Energy: 0.9753937013069729
Energy: 0.9699991554497007
Energy: 0.9706979016797047
Energy: 0.9688037860999296
Energy: 0.9918352217617048
Energy: 0.9676385981420883
Energy: 1.008849695769432
Energy: 0.9645191802218512
Energy: 0.952474010579818
Energy: 1.0553042244336721
Energy: 0.9853036935352844
Energy: 0.9351448056932666
Energy: 0.9526738742821695
Energy: 1.0083280430409176
Energy: 0.9627104414927562
Energy: 0.9523896513288546
Energy: 0.9442679057887354
Energy: 0.9800194840731689
Energy: 0.9336336478508056
Energy: 0.9526068423155328
Energy: 1.0020813452315451
Energy: 0.9407767113271817
Energy: 0.9702647447732025
Energy: 0.9719479281847415
Energy: 0.9469538128836514
Energy: 0.9717992205329672
Energy: 0.9548862197412121
Energy: 0.9699531091834044
Energy: 0.9600445447721576
Energy: 0.9236969735209855
Energy: 0.9480411259964922
Energy: 0.9107988415607677
Energy: 0.9491906875633406
Energy: 0.9527728152571522
Energy: 0.922498238629862
Energy: 0.9518100943968014
Energy: 0.9481833709055367
Energy: 0.9492277175247696
Energy: 0.9111585677934249
Energy: 0.928669824319631
Energy: 0.937604320917337
Energy: 0.9214522674681093
Energy: 0.9548712076419524
Energy: 0.9613573218615401
Energy: 0.9220544973259468
Energy: 0.9177977860378962
Energy: 0.9635820313521883
Energy: 0.9524165930612415
Energy: 0.9393865761081911
Energy: 0.9632236876365692
Energy: 0.9566077081247059
Energy: 0.9225425497439793
Energy: 0.9106528637935777
Energy: 0.9240300808747508
Energy: 0.9069081321462638
Energy: 0.911008131707221
Energy: 0.9130114876651327
Energy: 0.9342536458789888
Energy: 0.8893731022633533
Energy: 0.9022477610900858
Energy: 0.8998820945012425
Energy: 0.919458664052726
Energy: 0.8994063348616067
Energy: 0.8933873231790228
Energy: 0.9076074498485318
Energy: 0.9329295488490121
Energy: 0.9117247396616953
Energy: 0.9164449750376397
Energy: 0.9308508584560757
Energy: 0.9204413764708134
Energy: 0.9344740527168166
Energy: 0.8982707544527067
Energy: 0.9071815882589698
Energy: 0.8963843695472653
Energy: 0.9027260223612992
Energy: 0.8984904184315357
Energy: 0.9325146135499024
Energy: 0.8994838062351977
Energy: 0.8857641979927497
Energy: 0.9078179621593647
Energy: 0.8944060579776973
Energy: 0.8716650702091874
Energy: 0.8823927830847398
Energy: 0.9068449046267971
Energy: 0.9143119751113098
Energy: 0.9165821807825275
Energy: 0.891234820511843
Energy: 0.9316399388831506
Energy: 0.9017420467046652
Energy: 0.9035925289496191
Energy: 0.9238149067690054
Energy: 0.9073187411898491
Energy: 0.9194667200417931
Energy: 0.9039067842056082
Energy: 0.9259852390979635
Energy: 0.907425189692449
Energy: 0.9027291590277527
Energy: 0.9204063655017146
Energy: 0.918386246327127
Energy: 0.8829659263850915
Energy: 0.8863975084845295
Energy: 0.9013699117005016
Energy: 0.8735489512919141
Energy: 0.8787579354544386
Energy: 0.8938897991073997
Energy: 0.9081702121375521
Energy: 0.9105991422301789
Energy: 0.9101950934673964
Energy: 0.8878796453240211
Energy: 0.9299159183454194
Energy: 0.9058937982907334
Energy: 0.8890458068279842
Energy: 0.9307259081262461
Energy: 0.9156318249132087
Energy: 0.890258147953585
Energy: 0.9092463566769894
Energy: 0.9317670770915644
Energy: 0.8878902821242995
Energy: 0.9095096080681163
Energy: 0.9359040644102439
Energy: 0.8915385272684484
Energy: 0.9064088854341299
Energy: 0.8785775007847134
Energy: 0.9194006265152553
Energy: 0.8599034427821791
Energy: 0.880224691634139
Energy: 0.8723255393872449
Energy: 0.9169088912805045
Energy: 0.9114628081701172
Energy: 0.9182456267530729
Energy: 0.9030642928401352
Energy: 0.9235369042774662
Energy: 0.9077299540568363
Energy: 0.9105889612491426
Energy: 0.9172155337414745
Energy: 0.9424241166591354
Energy: 0.8984765971182265
Energy: 0.9228086742000611
Energy: 0.9252722913007643
Energy: 0.8907658676078098
Energy: 0.9007014071769497
Energy: 0.9079541109852849
Energy: 0.9019434412437816
Energy: 0.881948394259706
Energy: 0.8702639399746027
Energy: 0.8925558389400967
Energy: 0.8844044893376937
Energy: 0.8893110126587059
Energy: 0.8946481613841555
Energy: 0.9152538974419863
Energy: 0.8934405117361002
Energy: 0.8865078759497004
Energy: 0.9329735968226979
Energy: 0.911095963815641
Energy: 0.8986085191512604
Energy: 0.933465926795347
Energy: 0.9145074063614025
Energy: 0.9331865631764187
Energy: 0.9165687096732612
Energy: 0.9208598850116406
Energy: 0.9301698788532268
Energy: 0.9250011537417295
Energy: 0.8923018140000684
Energy: 0.9099056740364173
Energy: 0.9091136134321135
Energy: 0.9002913083055798
Energy: 0.9107635217079307
Energy: 0.9097722526241835
Energy: 0.9360841577046084
Energy: 0.9090823541708071
Energy: 0.9117751638511262
Energy: 0.9077764967574717
Energy: 0.9185932425193333
Energy: 0.9094177386766207
Energy: 0.9256947585210886
Energy: 0.9354107371116406
Energy: 0.934056166537093
Energy: 0.9246153689646651
Energy: 0.9507299105849383
Energy: 0.957779869788384
Energy: 0.9182422394518895
Energy: 0.9535789586715073
Energy: 0.9635692951427549
Energy: 0.9328221553003476
Energy: 0.9124472563315786
Energy: 0.949120431288494
Energy: 0.9573954609294975
Energy: 0.9200399439999519
Energy: 0.9502788488555713
Energy: 0.9490164169205106
Energy: 0.9541616880817555
Energy: 0.9272634699729401
Energy: 0.9555804632227134
Energy: 0.950571459122767
Energy: 0.9245909188188813
Energy: 0.9574636644963902
Energy: 0.9571243860706172
Energy: 0.9588354486635429
Energy: 0.9744595443012054
Energy: 0.9696506268011704
Energy: 0.9704371900419232
Energy: 0.9689543589667835
Energy: 0.9722135743775804
Energy: 0.9673684449911879
Energy: 0.9378269792483283
Energy: 0.9993700915078046
Energy: 0.9505877717709224
Energy: 0.9296886718703848
Energy: 0.9680554891608018
Energy: 0.95514612174914
Energy: 0.9602385823117964
Energy: 0.9590026359410613
Energy: 1.000439053607029
Energy: 0.9503341098475679
Energy: 0.9278140464772274
Energy: 1.0049412206703874
Energy: 0.9650950151012058
Energy: 0.9591176714967444
Energy: 0.9975102774815618
Energy: 1.0065056081343864
Energy: 0.9690487963828668
Energy: 0.9901220958301823
Energy: 0.9663430905704542
Energy: 0.9709523038144516
Energy: 0.9667934525411207
Energy: 1.0054104488759141
Energy: 0.9862056396808441
Energy: 0.9806540113595781
Energy: 0.9761016653994007
Energy: 0.9922561442837615
Energy: 0.9964471053518413
Energy: 0.9509198901044894
Energy: 0.9829657639146858
Energy: 1.0846745551395338
Energy: 0.9604742685737963
Energy: 0.9553211142002934
Energy: 0.9928052808376006
Energy: 0.9511827764526715
Energy: 0.9359884323912488
Energy: 0.9833049582869725
Energy: 1.0170139905504967
Energy: 0.9677326714186453
Energy: 0.9833645845119842
Energy: 1.011906872425763
Energy: 1.0251840575824454
Energy: 0.9785238120206216
Energy: 1.0057522976793054
Energy: 1.0029505345216543
Energy: 0.977932264462693
Energy: 0.9839389069891763
Energy: 1.0108717497608166
Energy: 0.971440609492807
Energy: 0.9681552661583385
Energy: 0.944536408085502
Energy: 0.9945973320935706
Energy: 1.0299560910821282
Energy: 0.9593666086317103
Energy: 0.9480297345360709
Energy: 1.025747128614209
Energy: 1.0273840604621802
Energy: 0.9989099568177697
Energy: 1.0180917030516556
Energy: 1.0022135642599572
Energy: 0.983444397235503
Energy: 1.0110108732844285
Energy: 1.00060291596549
Energy: 0.983672229269776
Energy: 0.9843174962535128
Energy: 1.0034517752943617
Energy: 1.01472187913355
Energy: 0.983331140478259
Energy: 1.012066552678203
Energy: 1.0206583166963616
Energy: 0.9996875545235595
Energy: 1.0219797237526647
Energy: 0.9812663414435829
Energy: 0.9589887821085439
Energy: 1.036733266740731
Energy: 1.0384478205955758
Energy: 0.9517442361635994
Energy: 0.9500009482592077

minimum gb energy = 0.8599034427821791 eV
minimum distance =  2.30730070366262 Angstroms
sigma value = 365


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

Energy: 1.1230154549603206
Energy: 1.0599703541898966
Energy: 1.0699597301946038
Energy: 1.0709130566332385
Energy: 1.0713017761198804
Energy: 1.0702820924218308
Energy: 1.0700245541180544
Energy: 0.36855901841754385
Energy: 0.37248891633474884
Energy: 0.3780448087186311
Energy: 0.38054831758441937
Energy: 0.3814402753613999
Energy: 0.37981938423251776
Energy: 0.3750183344604016
Energy: 0.36858974559166136
Energy: 0.37497436497922243
Energy: 0.37726707657258096
Energy: 0.3805495551101204
Energy: 0.38054172516307433
Energy: 0.37880446535681866
Energy: 0.37590334705483436
Energy: 1.0555720310081254
Energy: 1.055625113931062
Energy: 1.0684189764367713
Energy: 1.0695521725609503
Energy: 1.0720218354788495
Energy: 1.0689750189809846
Energy: 1.0692553747024416
Energy: 1.06010925755885
Energy: 1.0611342351031015
Energy: 1.062827472841697
Energy: 1.0677605494595468
Energy: 1.0725672101828547
Energy: 1.0641705108757473
Energy: 1.0612077213818931
Energy: 0.36849368711068575
Energy: 0.3752136029382042
Energy: 0.3757793786218647
Energy: 0.3806542669700174
Energy: 0.38114679950888214
Energy: 0.3776804722269257
Energy: 0.3752497197647173
Energy: 1.0543673762392645
Energy: 1.0586450040329063
Energy: 1.0681578564711507
Energy: 1.0701790986119901
Energy: 1.0723082981698793
Energy: 1.0685666374607121
Energy: 1.055980372460791
Energy: 1.0544468083964282
Energy: 1.0548385051096112
Energy: 1.068523153536065
Energy: 1.0696865161598723
Energy: 1.0723551113143737
Energy: 1.0683609933737053
Energy: 1.0555084416286018
Energy: 0.3684521059156078
Energy: 0.37513409703885764
Energy: 0.37617755846765194
Energy: 0.3804600972705305
Energy: 0.3810602682342641
Energy: 0.3781788890893249
Energy: 0.3749813063925196
Energy: 1.060614460929135
Energy: 1.0611467597902253
Energy: 1.0625371519876192
Energy: 1.067246629463146
Energy: 1.0702346334196462
Energy: 1.0649919322394066
Energy: 1.061651357790355
Energy: 1.058700554197081
Energy: 1.0569228150088188
Energy: 1.0691086786875266
Energy: 1.0695882025611185
Energy: 1.071738120139467
Energy: 1.068792642853519
Energy: 1.0687775484588513
Energy: 0.3685742555188127
Energy: 0.3749556182486588
Energy: 0.37745322849444984
Energy: 0.3801312437654981
Energy: 0.3810871033255068
Energy: 0.37926038657878225
Energy: 0.37617347978265664
Energy: 0.36858341615565
Energy: 0.3724565988345671
Energy: 0.3780861309923508
Energy: 0.3810265527929877
Energy: 0.3813627241851985
Energy: 0.37948560947769927
Energy: 0.3761651630587157
Energy: 1.0603633236103815
Energy: 1.0602708680171846
Energy: 1.068745559795397
Energy: 1.069559698774695
Energy: 1.0716475289155623
Energy: 1.069263364295833
Energy: 1.0698706399146196
Energy: 1.0610753030601152
Energy: 1.0615931262732763
Energy: 1.0642964473002305
Energy: 0.3810286547725247
Energy: 0.3812806873081227
Energy: 0.37995719044755755
Energy: 1.0621448440731094
Energy: 0.36873520803778764
Energy: 0.37421467882137227
Energy: 0.37704995610518777
Energy: 0.3807565937995797
Energy: 0.3809341191222112
Energy: 0.3786182712167876
Energy: 0.3756203577511806
Energy: 1.0549486779141732
Energy: 1.0551309955365034
Energy: 1.0684726612887125
Energy: 1.0694038668682961
Energy: 1.0719348998558211
Energy: 1.068882289816527
Energy: 1.0691486959539647
Energy: 1.0598490703172752
Energy: 1.0608418129567851
Energy: 1.062820557722216
Energy: 1.0703296092340255
Energy: 1.0728665086739706
Energy: 1.0639093655477074
Energy: 1.0611390632912798
Energy: 0.36847627116315507
Energy: 0.37535453790969764
Energy: 0.3758692369956948
Energy: 0.38025233107289724
Energy: 0.38114903531990507
Energy: 0.37744717353803386
Energy: 0.3750679318938229
Energy: 1.060420305864577
Energy: 1.0592433543973756
Energy: 1.06219512746892
Energy: 1.0701687358486347
Energy: 1.072252922913285
Energy: 1.0687465052386218
Energy: 1.06058683707416

minimum gb energy = 0.3684521059156078 eV
minimum distance =  2.37697093240515 Angstroms
sigma value = 23