Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_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=2.863645777106285
cohesive_energy=4.290547129999928
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, 5.341272375363839e-19, 5.56621797477744e-19, 5.76557681334606e-19, 5.942344961375279e-19, 6.098909662049759e-19, 6.23717750556396e-19, 6.35873464678554e-19, 6.465103153516799e-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: 0.016149269318661424
Energy: 0.01649599804854014
Energy: 1.2659376849306758
Energy: 0.016829872122297286
Energy: 0.01664724815433786
Energy: 1.3457967010777854
Energy: 0.016395943872560347
Energy: 0.016754293740261567
Energy: 0.2163067045475336
Energy: 0.17412291608614056
Energy: 0.17488236808165103
Energy: 0.21455369678431865
Energy: 0.21496776641822726
Energy: 0.1743473617757351
Energy: 0.17471389845693475
Energy: 0.21490731374654204
Energy: 0.21460514432433456
Energy: 0.17469511532860377
Energy: 0.17450182586444765
Energy: 0.21504033196529843
Energy: 0.1742173847893324
Energy: 0.17514758130150965
Energy: 0.21480063065586827
Energy: 0.21560375259424552
Energy: 0.1744873186931644
Energy: 0.17521907676814308
Energy: 0.21532761209905496
Energy: 0.17429652729713313
Energy: 0.1744252556267665
Energy: 0.21528353621285623
Energy: 0.174245623850535
Energy: 0.1746700450601975
Energy: 0.17441848253513545
Energy: 0.2146453404338506
Energy: 0.17437160076175867
Energy: 0.016672151403103092
Energy: 0.2147398303426256
Energy: 0.17413923414157503
Energy: 0.01705155979834475
Energy: 0.0171524114291806
Energy: 0.21524881613087907
Energy: 0.17470028240641167

minimum gb energy = 0.016149269318661424 eV
minimum distance =  2.44919595568645 Angstroms
sigma value = 5


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

Energy: 2.434543460393283
Energy: 1.1978576079082743
Energy: 1.2146864128193948
Energy: 1.2847616959087236
Energy: 1.2564893622187108
Energy: 1.2172217342072535
Energy: 1.1972208446514554
Energy: 1.1908090150574326
Energy: 1.1884318380555605
Energy: 1.2230710879091227
Energy: 1.2381164133496239
Energy: 1.1858655927431925
Energy: 1.1652875997011183
Energy: 1.200387887696024
Energy: 1.1954345175905248
Energy: 1.2432554566770102
Energy: 1.2207464042255183
Energy: 1.2056422429740674
Energy: 1.2144588558980802
Energy: 1.245428057556293
Energy: 1.2057952425602814
Energy: 1.1945952464126481
Energy: 1.2375259272021342
Energy: 1.2133521020901918
Energy: 1.1940513645223492
Energy: 1.2136798676551286
Energy: 1.2232655016193161
Energy: 1.2023611950075945
Energy: 1.1921570791160443
Energy: 1.2302224099094035
Energy: 1.2135209400507998
Energy: 1.201937865829148
Energy: 1.207719399407292
Energy: 1.2229194162560357
Energy: 1.2040207158145853
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Energy: 1.240050675516463
Energy: 1.1958317475739355
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Energy: 1.239105164647746
Energy: 1.195383970822025
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Energy: 1.207899049307422
Energy: 1.1958738877968371
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Energy: 1.236232852099536
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Energy: 1.1265291209132589
Energy: 1.2153918561104298
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Energy: 1.142041885453387
Energy: 1.127567922155963
Energy: 1.209857354661603
Energy: 1.1487527382856446
Energy: 1.1299671669458258
Energy: 1.247758720280248
Energy: 1.1717160692216173
Energy: 1.137444899355192
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Energy: 1.23904431586904
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Energy: 1.1708587409220672
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Energy: 1.1712874310392278
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Energy: 1.1721960301808796
Energy: 1.1718228569959073
Energy: 1.211092418935985
Energy: 1.1749095892838617
Energy: 1.1843468144720513
Energy: 1.2316075766591272
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Energy: 1.1704663689840957
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Energy: 1.1731589826743438
Energy: 1.1861630362640434
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Energy: 1.1636436011650662
Energy: 1.1664003781847878
Energy: 1.1782912399635554
Energy: 1.1604615533484433
Energy: 1.175270406730078
Energy: 1.19102866445791
Energy: 1.1752457630182862
Energy: 1.2035451185016894
Energy: 1.207503779161347
Energy: 1.1707569366795063
Energy: 1.1934042413008275
Energy: 1.2049304191175316
Energy: 1.1835149200976876
Energy: 1.2326994172167216
Energy: 1.1919011248907256
Energy: 1.2408461717112231
Energy: 1.217145148642557
Energy: 1.1934561057229764
Energy: 1.200110507920418
Energy: 1.2205547645404247
Energy: 1.207336610689924
Energy: 1.1918594300349301
Energy: 1.2372732507766173
Energy: 1.2175147622478242
Energy: 1.2029458847661743
Energy: 1.2128468429661925
Energy: 1.2294389770569298
Energy: 1.2036580877661838
Energy: 1.1915963414424677
Energy: 1.159183144841761
Energy: 1.217907523808066
Energy: 1.2285640574103063
Energy: 1.223907527376869
Energy: 1.2330297044041598
Energy: 1.2410086892620242
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Energy: 1.218052785989083
Energy: 1.153423127164919
Energy: 1.1571581233283559
Energy: 1.15771934364622
Energy: 1.1693983968792958
Energy: 1.187738760288228

minimum gb energy = 1.1229268063201832 eV
minimum distance =  2.3091581386047 Angstroms
sigma value = 401


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

Energy: 2.140187244638668
Energy: 1.2033040413087104
Energy: 1.2653558776198819
Energy: 1.1709131450447903
Energy: 1.1847329098719463
Energy: 1.2801738241523446
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Energy: 1.2084120263690463
Energy: 1.1610044013594303
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Energy: 1.2168253015744084
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Energy: 1.1863951008303635
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Energy: 1.2161294610945543
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Energy: 1.195366488039916
Energy: 1.2427774618116947
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Energy: 1.1708859504054787
Energy: 1.2814334331206743
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Energy: 1.2708279325018987
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Energy: 1.2451905094453743
Energy: 1.3383415729942474
Energy: 1.261471241926889
Energy: 1.2720967427142247
Energy: 1.3363905057132712
Energy: 1.2847073955804813
Energy: 1.259685447834637
Energy: 1.288584454403052
Energy: 1.3469933614078735
Energy: 1.2621872329051806
Energy: 1.2758136473522503
Energy: 1.269233056816229
Energy: 1.2821852790952168
Energy: 1.2625684322820256
Energy: 1.2689587275829837
Energy: 1.193184142045218
Energy: 1.2255709560737476
Energy: 1.26269986938542
Energy: 1.2131456525566924
Energy: 1.24477007419993
Energy: 1.2101951997475389
Energy: 1.2639880047549876
Energy: 1.3138782364023989
Energy: 1.2309849379656521
Energy: 1.1811667759474256
Energy: 1.1767227956852544
Energy: 1.2859076339853428
Energy: 1.1760494237387116
Energy: 1.1919066989221472
Energy: 1.2237405661016172
Energy: 1.2304650840486133
Energy: 1.261462897964463
Energy: 1.2264700692193866
Energy: 1.2543821851718926
Energy: 1.2126536303459834
Energy: 1.264534805679815
Energy: 1.3804658722898189
Energy: 1.263435454679902
Energy: 1.2515386201740661
Energy: 1.2584215411432818
Energy: 1.292624917076041
Energy: 1.284908923590612
Energy: 1.2689913449622077
Energy: 1.3433665379493784
Energy: 1.28120004148771
Energy: 1.2500958781000606
Energy: 1.2518963036966333
Energy: 1.2792883288270946
Energy: 1.2505808847736883
Energy: 1.2517894650476524
Energy: 1.3373965294670778
Energy: 1.2842098784245572
Energy: 1.28395427301808
Energy: 1.2702674977739952
Energy: 1.2370225117253135
Energy: 1.2885798229368863
Energy: 1.251979391630914
Energy: 1.2212374752603723
Energy: 1.2235450340226481
Energy: 1.2102672873226585
Energy: 1.204645384963314
Energy: 1.2402531246020043
Energy: 1.2450914209852755
Energy: 1.2101288676473638
Energy: 1.2201301574690482
Energy: 1.2293201871235466
Energy: 1.2077799264507045
Energy: 1.1961244065703573
Energy: 1.2457546602914202
Energy: 1.2543598085319503
Energy: 1.1955876882768366
Energy: 1.217952072864629
Energy: 1.2262366148565818
Energy: 1.2180826947974817
Energy: 1.2241660660443905
Energy: 1.2312251110694068
Energy: 1.2218457178235704
Energy: 1.2068815668573396
Energy: 1.2320879908614106
Energy: 1.261794433121797
Energy: 1.3684345031696674
Energy: 1.2325080613374881
Energy: 1.232295519972609
Energy: 1.2802082576850602
Energy: 1.2346369252098244
Energy: 1.2309760515455606
Energy: 1.1799446876215038
Energy: 1.3554849872721106
Energy: 1.2414006313496326
Energy: 1.235072496454093
Energy: 1.3045862837284918
Energy: 1.294978021136938
Energy: 1.2331952540218027
Energy: 1.2210513125264204
Energy: 1.3417295755029757
Energy: 1.2313826703439004
Energy: 1.2330398769970743
Energy: 1.2358442794531368
Energy: 1.2305702115203294
Energy: 1.1431986726237555
Energy: 1.2193916785354646
Energy: 1.34750438162391
Energy: 1.1435008221135041
Energy: 1.147169002811603
Energy: 1.2400436022573906
Energy: 1.2420866599101328

minimum gb energy = 1.1431986726237555 eV
minimum distance =  2.27018560750809 Angstroms
sigma value = 311


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

Energy: 1.321218961666262
Energy: 1.3861416364088477
Energy: 1.303579714806194
Energy: 1.3414374656356003
Energy: 1.4528728123476549
Energy: 1.3704822380583217
Energy: 1.3919224874473464
Energy: 1.113614199241879
Energy: 1.2034444511841766
Energy: 1.1967579722235808
Energy: 1.2065516211348415
Energy: 1.2192795930809495
Energy: 1.2112529699131305
Energy: 1.1873229871627962
Energy: 1.1546796144289948
Energy: 1.183929134246792
Energy: 1.1779115483152032
Energy: 1.2159831557401657
Energy: 1.2028787525567848
Energy: 1.1785841042883929
Energy: 1.252248724694127
Energy: 1.1925766505626485
Energy: 1.1024853445044633
Energy: 1.207221826776017
Energy: 1.19467362297592
Energy: 1.356206802066589
Energy: 1.3557545776460302
Energy: 1.3318857273757052
Energy: 1.262400907918534
Energy: 1.2016600036964098
Energy: 1.1972612758704277
Energy: 1.147602943283377
Energy: 1.2427712726869558
Energy: 1.2224372122308806
Energy: 1.2507877915954069
Energy: 1.3760459026029204
Energy: 1.3143512508430708
Energy: 1.2909404876951922
Energy: 1.3113281287009593
Energy: 1.395584959887976
Energy: 1.4324478861522203
Energy: 1.44468862835866
Energy: 1.413051097090763
Energy: 1.312694385153706
Energy: 1.1873626066950078
Energy: 1.3250847437186883
Energy: 1.3692972770058345
Energy: 1.4358346608616144
Energy: 1.4453723109123353
Energy: 1.2265861062966772
Energy: 1.262904156143711
Energy: 1.2686834865733119
Energy: 1.2926491014014077
Energy: 1.2543813815887315
Energy: 1.2074673433533907
Energy: 1.270886014657061
Energy: 1.3108764897383247
Energy: 1.2922050035286854
Energy: 1.2633703416756095
Energy: 1.2139417785367397
Energy: 1.2466850638112816
Energy: 1.2328946034725223
Energy: 1.1925783601281812
Energy: 1.3302810622161676
Energy: 1.2767199020133917
Energy: 1.2622332970597339
Energy: 1.2426748864595067
Energy: 1.2503966713204486
Energy: 1.329183467299599
Energy: 1.395335013456202
Energy: 1.2818748142129541
Energy: 1.2129511006331077
Energy: 1.206581469544247
Energy: 1.216357469776466
Energy: 1.20580884172174
Energy: 1.2130283694436441
Energy: 1.2222039428382352
Energy: 1.3529647989738893
Energy: 1.3009659737449095
Energy: 1.2476994275848194
Energy: 1.321956132617722
Energy: 1.3235161267747593
Energy: 1.353422041948948
Energy: 1.329919972128656
Energy: 1.337475111527571
Energy: 1.33845343910925
Energy: 1.3358571761865297
Energy: 1.3259488179175725
Energy: 1.3369060305305989
Energy: 1.3298241523655605
Energy: 1.363924281916634
Energy: 1.3250474699658898
Energy: 1.2334346872851547
Energy: 1.1992617940552555
Energy: 1.2240743100880676
Energy: 1.1986909499664997
Energy: 1.2422323282147214
Energy: 1.2527773088255465
Energy: 1.2895107960565322
Energy: 1.1996036935157381
Energy: 1.1922520400286538
Energy: 1.1982940696644657
Energy: 1.2098376468615841
Energy: 1.233561946595122
Energy: 1.2440156621593412
Energy: 1.2370080571894335
Energy: 1.369772859615994
Energy: 1.1877530846561455
Energy: 1.2062153781874376
Energy: 1.2378809627141834
Energy: 1.230552538611251
Energy: 1.2941737724746671
Energy: 1.2821547754059754
Energy: 1.2669881151535467
Energy: 1.2468528805275383
Energy: 1.2108010796809534
Energy: 1.2210073280951637
Energy: 1.1982998469818547
Energy: 1.2695964855245065
Energy: 1.4008340531259724
Energy: 1.4084150191724882
Energy: 1.3595185064912512
Energy: 1.3992647544372714
Energy: 1.3794146636301288
Energy: 1.3255152314593845
Energy: 1.4043185353332528
Energy: 1.368429847181053
Energy: 1.3125342406714173
Energy: 1.3563467155804256
Energy: 1.3934139912499242
Energy: 1.409792072460806
Energy: 1.4057559509567954
Energy: 1.3870233877737603
Energy: 1.2211892861151286
Energy: 1.2196483783546634
Energy: 1.226897414055207
Energy: 1.2883306500844762
Energy: 1.3107372725134687
Energy: 1.2438664244733633
Energy: 1.2854461181984604
Energy: 1.251534975224742
Energy: 1.2386286083634155
Energy: 1.221752176441883
Energy: 1.2071191430269836
Energy: 1.3134480463705225
Energy: 1.287867138924896
Energy: 1.2915757036356774
Energy: 1.2675669333855772
Energy: 1.1993590640308724
Energy: 1.2557496918394475
Energy: 1.3002040159551618
Energy: 1.2500661646534235
Energy: 1.1994395648748415
Energy: 1.1985905524178209
Energy: 1.1939835352612194
Energy: 1.2486270966683246
Energy: 1.2658817568481888
Energy: 1.2221672553217642
Energy: 1.1832113588167443
Energy: 1.2014464856975342
Energy: 1.1960714787356381
Energy: 1.3394244739392636
Energy: 1.3549952810739243
Energy: 1.2478046652486343
Energy: 1.3278395770996874
Energy: 1.2197646168524734
Energy: 1.3365572371583179
Energy: 1.321065541935388
Energy: 1.3534693855975954
Energy: 1.2200860456363853
Energy: 1.113723007015981
Energy: 1.3338686894886969
Energy: 1.3712729080455877
Energy: 1.336042076697977
Energy: 1.34068529898588
Energy: 1.236344355088183
Energy: 1.1814426464344492
Energy: 1.2213619592885145
Energy: 1.2228131672589524
Energy: 1.2130704172602798
Energy: 1.2077557797496492
Energy: 1.2252672212146083
Energy: 1.2452047386900427
Energy: 1.2405313949569154
Energy: 1.199275331643269
Energy: 1.3664223072228259
Energy: 1.2181649009098494
Energy: 1.2171662375800465
Energy: 1.2121419520885202
Energy: 1.2094532248773004
Energy: 1.204936892641808
Energy: 1.187221107938009
Energy: 1.1756606506542122
Energy: 1.2425459491759525
Energy: 1.2818872838429893
Energy: 1.2684880796833982
Energy: 1.2127516839450834
Energy: 1.255323898730562
Energy: 1.2386506247519204
Energy: 1.320309490780637
Energy: 1.2232186091232367
Energy: 1.2646067895622939
Energy: 1.2070626541193845
Energy: 1.3282096592546768
Energy: 1.3205937478537395
Energy: 1.2920549678073414
Energy: 1.379311384895167
Energy: 1.4223527755268284
Energy: 1.413713668292719
Energy: 1.3778119809908902
Energy: 1.3366052802813757
Energy: 1.354275819266156
Energy: 1.1887294989733335
Energy: 1.2051093084309874
Energy: 1.243664306072293
Energy: 1.4367218993640034
Energy: 1.3242422226003472
Energy: 1.3128058908724054
Energy: 1.2033905366568793
Energy: 1.1878216768290106
Energy: 1.1558508646580563
Energy: 1.2338363887777537
Energy: 1.3239548323095403
Energy: 1.248415505880494
Energy: 1.233524453706972
Energy: 1.1435895116797026
Energy: 1.2320070364372844
Energy: 1.2432491646113148
Energy: 1.284727693853906
Energy: 1.2840534383700994
Energy: 1.3504443684309904
Energy: 1.1668348995363982
Energy: 1.183427477823907
Energy: 1.1738407443214827
Energy: 1.1564722242483743
Energy: 1.2069859446131648
Energy: 1.29351282523658
Energy: 1.2761146609063767
Energy: 1.3074476702622506
Energy: 1.2989019389649445
Energy: 1.1738123847514748
Energy: 1.2140401052761873
Energy: 1.2040079508406305
Energy: 1.2236877950760854
Energy: 1.2917189215175187
Energy: 1.2302612866705944
Energy: 1.289590070908594
Energy: 1.296641698339492
Energy: 1.336799012045943
Energy: 1.3441624291709633
Energy: 1.20284850839461
Energy: 1.273039168075902

minimum gb energy = 1.1024853445044633 eV
minimum distance =  2.24311167524679 Angstroms
sigma value = 39


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

Energy: 1.5504524873635936
Energy: 1.297344242259489
Energy: 1.3098098968025402
Energy: 1.2877606762706992
Energy: 1.3249278119673031
Energy: 1.3309423121039294
Energy: 1.2885968164627657
Energy: 1.2211207546737308
Energy: 1.1704823614664814
Energy: 1.2077233304739226
Energy: 1.244564511513495
Energy: 1.1802187746827226
Energy: 1.1672789302056683
Energy: 1.2337205152684192
Energy: 1.2453820500174124
Energy: 1.1795772187170888
Energy: 1.2063087375077526
Energy: 1.2438708925251925
Energy: 1.2190962354583756
Energy: 1.180871506021761
Energy: 1.1928921308513574
Energy: 1.2290630754738887
Energy: 1.0937924917293875
Energy: 1.2001083908237062
Energy: 1.2619227577624823
Energy: 1.0973905244991349
Energy: 1.0928932238216384
Energy: 1.2091049827512594
Energy: 1.2221635845912693
Energy: 1.1783814597870317
Energy: 1.182960930020061
Energy: 1.2136792901925322
Energy: 1.1779804427931366
Energy: 1.1781678294103437
Energy: 1.2138221085874004
Energy: 1.2481743383104107
Energy: 1.1723280580787336
Energy: 1.1964421231870876
Energy: 1.195893130326807
Energy: 1.1823150994647054
Energy: 1.1730431902441643
Energy: 1.1952086402070785
Energy: 1.2223605658185686
Energy: 1.1689735341950955
Energy: 1.1784876212324527
Energy: 1.251914205622483
Energy: 1.1673789532106282
Energy: 1.1903909631480798
Energy: 1.1954593107480547
Energy: 1.2273543679318177
Energy: 1.1923397107561147
Energy: 1.1921279324373464
Energy: 1.2266020211722395
Energy: 1.2485094510803805
Energy: 1.1734068511341114
Energy: 1.2740374260507452
Energy: 1.2731835189146343
Energy: 1.280875077332429
Energy: 1.1849518264539711
Energy: 1.2731848101254422
Energy: 1.2802683899927105
Energy: 1.2258031547903323
Energy: 1.273637602184281
Energy: 1.273202319126388
Energy: 1.2815043159865618
Energy: 1.2055730068229997
Energy: 1.2962621804465522
Energy: 1.280128320914771
Energy: 1.296634495112652
Energy: 1.2585059501595313
Energy: 1.2358404707812236
Energy: 1.1915768953671877
Energy: 1.2066580393265323
Energy: 1.2710118413350369
Energy: 1.2369103749599082
Energy: 1.1493538805918209
Energy: 1.2441921783972592
Energy: 1.2634091249255477
Energy: 1.1476771278676403
Energy: 1.2061349040670042
Energy: 1.2401666732704335
Energy: 1.238601683277803
Energy: 1.2066304566029642
Energy: 1.2460642211830635
Energy: 1.2838908965889424
Energy: 1.2430988429376664
Energy: 1.3237816992455465
Energy: 1.3345364369848725
Energy: 1.2548337711276263
Energy: 1.1570908871857326
Energy: 1.2892612777923946
Energy: 1.2456217968528815
Energy: 1.1843641772347107
Energy: 1.2064162374048037
Energy: 1.2433779194398507
Energy: 1.2153816819836305
Energy: 1.208320255959297
Energy: 1.2408590886317608
Energy: 1.2943295429267683
Energy: 1.281026159238724
Energy: 1.2067554335403203
Energy: 1.2472981134040673
Energy: 1.2830502939360915
Energy: 1.1832274340449638
Energy: 1.2580752245858629
Energy: 1.3389836407364688
Energy: 1.3192772682851768
Energy: 1.2543746706458971
Energy: 1.2867244434407004
Energy: 1.296586558285047
Energy: 1.2534126176093818
Energy: 1.2770157496561128
Energy: 1.2459543757383165
Energy: 1.1713696125277737
Energy: 1.2078777695393055
Energy: 1.2443057137826063
Energy: 1.1795962445962918
Energy: 1.1673103382717942
Energy: 1.2478009328699105
Energy: 1.24547532261929
Energy: 1.1794814780655487
Energy: 1.2064492733182623
Energy: 1.246875411563126
Energy: 1.2188644613441793
Energy: 1.181106994534253
Energy: 1.1928626607794912
Energy: 1.2297544770011888
Energy: 1.093823108912625
Energy: 1.2000436349637456
Energy: 1.2620432859493047
Energy: 1.1388322400076945
Energy: 1.0929878981874226
Energy: 1.2093184270220376
Energy: 1.2200179674643927
Energy: 1.1782108773153896
Energy: 1.1830356797816874
Energy: 1.2136118539428409
Energy: 1.1779046052876743
Energy: 1.1827832851693034
Energy: 1.2138969031433737
Energy: 1.247840154495568
Energy: 1.1723660590969947
Energy: 1.1966972860180212
Energy: 1.1957717274899244
Energy: 1.1822690984335726
Energy: 1.1730763585923873
Energy: 1.1951569299874292
Energy: 1.2222219150275075
Energy: 1.1689460695086522
Energy: 1.1931996509491605
Energy: 1.2671125810653152
Energy: 1.1672534903255811
Energy: 1.1893145003979513
Energy: 1.1952976702348848
Energy: 1.2273576896241902
Energy: 1.1924497832422325
Energy: 1.1745909457939092
Energy: 1.2268870509059129
Energy: 1.248898554766403
Energy: 1.175275330003225
Energy: 1.2784656712751958
Energy: 1.2733188051906268
Energy: 1.2805885599098537
Energy: 1.184508859108794
Energy: 1.2732181079576883
Energy: 1.2802631752850568
Energy: 1.1834108488950636
Energy: 1.2732034005611612
Energy: 1.2735310105108746
Energy: 1.2812173579050379
Energy: 1.2052093829629817
Energy: 1.296241030603657
Energy: 1.2801335775045193
Energy: 1.2972838360875942
Energy: 1.2557610374747474
Energy: 1.2359516985237378
Energy: 1.1912095615736469
Energy: 1.2068494310967155
Energy: 1.2710159551093898
Energy: 1.2371687751620117
Energy: 1.1491515136841408
Energy: 1.2443260787208685
Energy: 1.2635403864980428
Energy: 1.1478340719326883
Energy: 1.205923260759064
Energy: 1.2465578205539491
Energy: 1.2384446908180469
Energy: 1.2065461839840523
Energy: 1.3029501352061377
Energy: 1.2840776146217454
Energy: 1.1482179048823762
Energy: 1.3243351539824542
Energy: 1.3305764286573694
Energy: 1.2552618092895103
Energy: 1.1576217360861731
Energy: 1.2890108087135967
Energy: 1.2457042968323913
Energy: 1.1842242822173674
Energy: 1.2065721269234502
Energy: 1.2436021684262766
Energy: 1.2152984477861322
Energy: 1.20880633397839
Energy: 1.2406418061403004
Energy: 1.279343122248667
Energy: 1.2810989916954165
Energy: 1.20666485594883
Energy: 1.2329032580521613
Energy: 1.2832667363518975
Energy: 1.304307164568911
Energy: 1.259182778246708

minimum gb energy = 1.0928932238216384 eV
minimum distance =  2.23390264268021 Angstroms
sigma value = 21


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

Energy: 1.753111909327345
Energy: 1.0841508837972382
Energy: 1.1247508199210974
Energy: 1.174042625387322
Energy: 1.1769114579301991
Energy: 1.050497358858092
Energy: 1.1811478511424804
Energy: 1.1956575289882656
Energy: 1.1116734699506305
Energy: 1.0936355243389042
Energy: 1.1305643580783848
Energy: 1.0937546222268146
Energy: 1.0924922367670524
Energy: 1.167216752604538
Energy: 1.0808036739037943
Energy: 1.0907880418333091
Energy: 1.135043726922631
Energy: 1.0877026513749306
Energy: 1.0931807483981892
Energy: 1.0936416429555451
Energy: 1.1356606968270577
Energy: 1.2106341328421577
Energy: 1.0584944350905645
Energy: 1.0740788856256345
Energy: 1.1171125330608227
Energy: 1.0503279695747894
Energy: 1.0688713400051666
Energy: 1.1182716244504283
Energy: 1.0660292437636936
Energy: 1.0502391935558555
Energy: 1.135789898880428
Energy: 1.091276434381949
Energy: 1.0928835954602847
Energy: 1.0690660190527623
Energy: 1.1144885751974483
Energy: 1.0544305024925738
Energy: 1.0922241824316934
Energy: 1.1359025787483414
Energy: 1.0883625120739355
Energy: 1.0724414392464643
Energy: 1.0926224355626133
Energy: 1.1675373753141631
Energy: 1.0151333001144307
Energy: 1.059434386303014
Energy: 1.0226789700353198
Energy: 1.0302814791404982
Energy: 1.0147557113281394
Energy: 1.0793494069706264
Energy: 1.0459159505219355
Energy: 1.0153989238889913
Energy: 1.0214427615881008
Energy: 1.064641330816621
Energy: 1.029975784376657
Energy: 1.0146460800615371
Energy: 1.0940509986492404
Energy: 1.0041789499778184
Energy: 1.0533752132796048
Energy: 1.0147916035086821
Energy: 1.1044838741188219
Energy: 1.051858696682396
Energy: 1.0521977137506313
Energy: 1.1058382689031763
Energy: 1.0710584003938328
Energy: 0.9914512819517036
Energy: 0.9913871646580766
Energy: 1.0339180462251607
Energy: 0.992367019371785
Energy: 0.9925549155434105
Energy: 0.9858069852955642
Energy: 1.040517469359334
Energy: 1.0316969819209751
Energy: 1.038394770322297
Energy: 0.9919784452368986
Energy: 1.0751729272911081
Energy: 1.031811489501659
Energy: 0.9925295146693918
Energy: 1.076233416757368
Energy: 0.9919770806459635
Energy: 0.9919504521028663
Energy: 1.0320754376649968
Energy: 1.0728561345462675
Energy: 0.9918662210487613
Energy: 1.0366526368980027
Energy: 1.077592911545544
Energy: 1.013754055447369
Energy: 1.0152070068850039
Energy: 0.9912739037706793
Energy: 0.9915227745610015
Energy: 1.085810839760288
Energy: 0.9914942339929457
Energy: 0.9917447633849288
Energy: 1.0650997094726038
Energy: 1.007048014573828
Energy: 0.9912439857687187
Energy: 1.0506512351952444
Energy: 1.0065517617755932
Energy: 0.9915056645507878
Energy: 0.9920141983912144
Energy: 1.0513596309280733
Energy: 1.0796742599742024
Energy: 1.0149615843332156
Energy: 1.029774560035177
Energy: 1.0948242214356734
Energy: 1.0147808800922746
Energy: 1.052531969814972
Energy: 1.1149888200725717
Energy: 1.0824423379426378
Energy: 1.0147004586788233
Energy: 1.029832080129752
Energy: 1.060491713865162
Energy: 1.0152688154322895
Energy: 1.0305162293887145
Energy: 1.1147405748197208
Energy: 1.0779070172812848
Energy: 1.0148664608284408
Energy: 1.1090370010797845
Energy: 1.0600272393753252
Energy: 1.0150236763731628
Energy: 1.0526512716602108
Energy: 1.1349757009850558
Energy: 1.0912858202199598
Energy: 1.0933934172429678
Energy: 1.0845607869844125
Energy: 1.0933081881017024
Energy: 1.0943511660366485
Energy: 1.0848038518060459
Energy: 1.1220751535321458
Energy: 1.0735274188139616
Energy: 1.1244802929233084
Energy: 1.1161279985967523
Energy: 1.068798271963613
Energy: 1.0507732460489763
Energy: 1.0517809362451835
Energy: 1.135016381561733
Energy: 1.0937976817985477
Energy: 1.070218167748251
Energy: 1.1150765959356943
Energy: 1.0934516787780715
Energy: 1.0901563599809534
Energy: 1.1828100802398653
Energy: 1.1351532608447243
Energy: 1.0907826308695703
Energy: 1.1350533243311356
Energy: 1.152661501199709
Energy: 1.0939779119805084
Energy: 1.0947753218038774
Energy: 1.1705285347668526
Energy: 1.1888655535420283
Energy: 1.050572400986526
Energy: 1.219688422431825
Energy: 1.1767966818690994
Energy: 1.0508428620870502
Energy: 1.108536939212756
Energy: 1.2401682214081022
Energy: 1.1668493699852645
Energy: 1.0505258462812543
Energy: 1.0727988058058293
Energy: 1.1765101333996197
Energy: 1.0501800559648808
Energy: 1.069565425724735
Energy: 1.240552876471533
Energy: 1.1668708238136598
Energy: 1.1101173569163028
Energy: 1.1356894137040527
Energy: 1.152551613004675
Energy: 1.0942747847049
Energy: 1.1120494720006358
Energy: 1.1673671371870102
Energy: 1.1952612047747861
Energy: 1.0943061274813117
Energy: 1.1131390504589584
Energy: 1.19558588099278
Energy: 1.2106901816552154
Energy: 1.1103368504578397
Energy: 1.1828068529471685

minimum gb energy = 0.9858069852955642 eV
minimum distance =  2.29214270592715 Angstroms
sigma value = 113


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

Energy: 1.7472733993177265
Energy: 0.9624723023260606
Energy: 0.9593365466093264
Energy: 1.043846234265563
Energy: 1.0429626394084117
Energy: 1.0283051006550643
Energy: 0.9503277656331689
Energy: 0.9726698816158399
Energy: 1.0079013244865724
Energy: 0.9852907033545418
Energy: 0.9840936503533451
Energy: 1.0145236670541236
Energy: 1.0071612957971556
Energy: 0.9999606522933229
Energy: 1.0051577986904143
Energy: 1.021303693677731
Energy: 1.0069731182398385
Energy: 0.9827324274756604
Energy: 0.9735632072782083
Energy: 1.0014217673609078
Energy: 0.9864316322442684
Energy: 0.9697307344689513
Energy: 0.9936026111793688
Energy: 0.9843312088436497
Energy: 0.9342377325323853
Energy: 0.9469908911960979
Energy: 0.9841814955144107
Energy: 0.974318859649721
Energy: 0.9239967604547618
Energy: 0.9908125788912128
Energy: 0.9710336142110657
Energy: 0.980994726031562
Energy: 0.9634671436143354
Energy: 0.9841667625019951
Energy: 0.9752982209509761
Energy: 0.970239656156506
Energy: 0.9706327563017717
Energy: 0.9687985884037192
Energy: 0.9918183898424651
Energy: 0.9673605575406973
Energy: 1.0088434099090693
Energy: 0.9648064349174992
Energy: 0.9526525089265024
Energy: 1.0675222673879903
Energy: 0.9856069554222079
Energy: 0.9352246319078881
Energy: 0.9530731013405893
Energy: 1.008171405729386
Energy: 0.9627271058220015
Energy: 0.966066943282343
Energy: 0.943924107512185
Energy: 0.9794007504787643
Energy: 0.9335879949090844
Energy: 0.9528590793685754
Energy: 1.001774724893185
Energy: 0.9409016090585921
Energy: 0.9702676154655685
Energy: 0.9720439280103206
Energy: 0.9470535838420318
Energy: 0.971794584919298
Energy: 0.955162933998326
Energy: 0.9700037670478113
Energy: 0.9600404168065853
Energy: 0.9234705488224378
Energy: 0.9513057711711266
Energy: 0.9107964977218482
Energy: 0.9491892137906689
Energy: 0.9527644066926689
Energy: 0.9225027647283726
Energy: 0.9520091179449987
Energy: 0.9481708918561178
Energy: 0.9488922169995092
Energy: 0.9108431702405363
Energy: 0.9286872676406661
Energy: 0.9369631208717466
Energy: 0.9214002563868411
Energy: 0.9548492599415535
Energy: 0.9613675945949298
Energy: 0.9217854854373443
Energy: 0.9177759829234972
Energy: 0.9635793853723513
Energy: 0.9524170158315665
Energy: 0.9333571680571172
Energy: 0.9632260002803733
Energy: 0.9566180820539689
Energy: 0.9225426398616624
Energy: 0.91065602324877
Energy: 0.9240318772706644
Energy: 0.9067711897387832
Energy: 0.9110126087071692
Energy: 0.9130147356724067
Energy: 0.9338593457936418
Energy: 0.8893754952584855
Energy: 0.9025067250899671
Energy: 0.9047161659624215
Energy: 0.9196180878706396
Energy: 0.8994091275790417
Energy: 0.8933858622208196
Energy: 0.9076056549282988
Energy: 0.9329274933148715
Energy: 0.9117220708959318
Energy: 0.916452505620035
Energy: 0.9308127018246835
Energy: 0.9204383801192252
Energy: 0.9344681603967387
Energy: 0.8982715340905723
Energy: 0.9071700687495525
Energy: 0.8963863021819355
Energy: 0.9027273294982118
Energy: 0.8984991525669817
Energy: 0.932513251397842
Energy: 0.8994835865765303
Energy: 0.8857636651982104
Energy: 0.9077986299393225
Energy: 0.8944068611545526
Energy: 0.8716897376015416
Energy: 0.8823945428654493
Energy: 0.9068450695597134
Energy: 0.9143058601798938
Energy: 0.9165810854955729
Energy: 0.891243173511069
Energy: 0.9316360440232885
Energy: 0.9017515795976694
Energy: 0.9036141262685043
Energy: 0.9238169958951516
Energy: 0.9072638549256308
Energy: 0.9194676513843854
Energy: 0.9039077052409938
Energy: 0.9259851135106625
Energy: 0.907418484894603
Energy: 0.9027013466821648
Energy: 0.920385159515058
Energy: 0.9183867355332331
Energy: 0.883031582785172
Energy: 0.8863985038294044
Energy: 0.9014027392664007
Energy: 0.873551609239238
Energy: 0.8787585981458684
Energy: 0.8938997285268637
Energy: 0.9081707608034633
Energy: 0.910599868974141
Energy: 0.9101981249515945
Energy: 0.8878732176440716
Energy: 0.929916480243857
Energy: 0.9058953018236493
Energy: 0.8890488606696496
Energy: 0.9307264702282462
Energy: 0.9156334509633651
Energy: 0.8902345091789767
Energy: 0.9092484441499888
Energy: 0.9317673518185672
Energy: 0.8878990676643926
Energy: 0.9095107625566652
Energy: 0.9359055732981632
Energy: 0.8915358126948619
Energy: 0.9064679821152534
Energy: 0.8785783897299628
Energy: 0.9194011468856669
Energy: 0.8600948297936379
Energy: 0.8802247791033133
Energy: 0.8723261997596731
Energy: 0.9169118202774383
Energy: 0.9114648082758576
Energy: 0.9182543282563891
Energy: 0.9030645476290075
Energy: 0.9235366542783707
Energy: 0.9077284532636984
Energy: 0.9105898647133714
Energy: 0.9172263340081906
Energy: 0.9424233027663023
Energy: 0.898485435304343
Energy: 0.9228041017856123
Energy: 0.925271977059093
Energy: 0.8907128444520798
Energy: 0.9007009089868391
Energy: 0.9079422894099809
Energy: 0.9019467151248295
Energy: 0.8819517491109872
Energy: 0.8702569339113447
Energy: 0.8925565665719515
Energy: 0.8843632742769365
Energy: 0.8893085178345573
Energy: 0.8946057759944375
Energy: 0.9152552044458124
Energy: 0.8934418450699365
Energy: 0.8880626502229219
Energy: 0.9322678603614288
Energy: 0.9110393475644663
Energy: 0.8986103665765164
Energy: 0.9334628195958875
Energy: 0.9145107359654469
Energy: 0.933176597910772
Energy: 0.9166064048293543
Energy: 0.9208568462377063
Energy: 0.930182361417353
Energy: 0.9254700967468579
Energy: 0.8923145835308043
Energy: 0.9101692592737681
Energy: 0.9088184591805123
Energy: 0.9004388211820187
Energy: 0.9107646634422023
Energy: 0.9096487820988685
Energy: 0.936080634064959
Energy: 0.9090858002664526
Energy: 0.9117774892010079
Energy: 0.9080128968295852
Energy: 0.9186449957871142
Energy: 0.9094208123634622
Energy: 0.9256862830223249
Energy: 0.9354915206826087
Energy: 0.9340673868646716
Energy: 0.924311286850555
Energy: 0.950719587754679
Energy: 0.9577610045865212
Energy: 0.9186826226936393
Energy: 0.9535836674677803
Energy: 0.9635617823030775
Energy: 0.9328158348695031
Energy: 0.9124332771417102
Energy: 0.9493689797279536
Energy: 0.957403011821305
Energy: 0.9203138846614697
Energy: 0.9546092397597132
Energy: 0.9491044416660428
Energy: 0.9541621695438797
Energy: 0.9284611053139051
Energy: 0.9555681038456605
Energy: 0.9505294033824515
Energy: 0.9246075432138638
Energy: 0.9574321168092015
Energy: 0.9565220006639411
Energy: 0.958520034855484
Energy: 0.9744286531134322
Energy: 0.9698180808462724
Energy: 0.9704566878463959
Energy: 0.9692059230314569
Energy: 0.9725196415844272
Energy: 0.967178300013246
Energy: 0.9385631702679772
Energy: 0.9996647838212736
Energy: 0.9502555878345004
Energy: 0.9294448702829798
Energy: 0.9680226440345688
Energy: 0.9652018517862742
Energy: 0.9603366396774669
Energy: 0.9590111302744782
Energy: 1.0004318577910898
Energy: 0.9516550746102845
Energy: 0.9278982078147827
Energy: 1.0068524646530375
Energy: 0.9652290095701069
Energy: 0.9593528086008092
Energy: 1.0029710290994265
Energy: 1.0065073787113283
Energy: 0.969003124571987
Energy: 0.989998119469512
Energy: 0.9660448925452483
Energy: 0.9709810999250267
Energy: 0.966780152928451
Energy: 1.0051903066291001
Energy: 0.9858797310642379
Energy: 0.9804352971337849
Energy: 0.976050983032133
Energy: 0.9921999089318755
Energy: 0.9961579240334938
Energy: 0.9509493374904566
Energy: 0.9831415991175843
Energy: 1.0848667144978548
Energy: 0.9601496166823733
Energy: 0.9544151669726263
Energy: 0.992907956228506
Energy: 0.951497650173867
Energy: 0.946941707633445
Energy: 0.98331918370164
Energy: 1.0170170783190742
Energy: 0.9675065190452249
Energy: 0.9835247202356113
Energy: 1.0121721634331764
Energy: 1.02509436139098
Energy: 0.9782849912647072
Energy: 1.0060331583715154
Energy: 1.0026989765429388
Energy: 0.9784700013842822
Energy: 0.9839861409214062
Energy: 1.0109429510975327
Energy: 0.9637235287093208
Energy: 0.9690182057771733
Energy: 0.944547707055192
Energy: 0.9944704981856248
Energy: 1.0210300878174976
Energy: 0.9595887589871673
Energy: 0.9478229668607357
Energy: 1.0265474054193775
Energy: 1.0272495224481586
Energy: 0.9992301967402963
Energy: 1.0182032721484806
Energy: 1.0024059758549209
Energy: 0.9833173823781236
Energy: 1.0108062254865495
Energy: 1.0011330310738367
Energy: 0.9835884229664852
Energy: 0.9844092455947282
Energy: 1.0031617517971487
Energy: 1.0149080326906614
Energy: 0.9833095274538676
Energy: 1.0118098666313127
Energy: 1.0205994204935849
Energy: 0.9998577684580943
Energy: 1.0218450297999109
Energy: 0.9811805906965736
Energy: 0.9583993378512851
Energy: 1.0366867484540727
Energy: 1.0385656885876164
Energy: 0.9517191863998926
Energy: 0.9500469935686091

minimum gb energy = 0.8600948297936379 eV
minimum distance =  2.30682078791873 Angstroms
sigma value = 365


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

Energy: 1.1233196303285415
Energy: 1.070037225280647
Energy: 1.0699599296483775
Energy: 1.0709128289235932
Energy: 1.071302011057969
Energy: 1.070283192780348
Energy: 1.0700246717888666
Energy: 1.0612763512457397
Energy: 0.37248886007570675
Energy: 0.37804481252110694
Energy: 0.3805483228624644
Energy: 0.38144027300536415
Energy: 0.3798194428284208
Energy: 0.37501814436938186
Energy: 0.36858975332656163
Energy: 0.37497429689983236
Energy: 0.37726697042955615
Energy: 0.3805495542231286
Energy: 0.38054190496992835
Energy: 0.37880446299028503
Energy: 0.3759033408455115
Energy: 1.0555732510930473
Energy: 1.0556264152791148
Energy: 1.068419554666917
Energy: 1.0695523240411988
Energy: 1.0720219501137271
Energy: 1.0689751564533103
Energy: 1.069255543914911
Energy: 1.0601108275791624
Energy: 1.061135482309428
Energy: 1.0628290373114444
Energy: 1.0677618987016693
Energy: 1.0725676635605887
Energy: 1.0641724352709474
Energy: 1.0612091224283229
Energy: 0.3684934034774001
Energy: 0.3752134740015478
Energy: 0.3757794204279669
Energy: 0.3806543348672735
Energy: 0.3811468798614575
Energy: 0.37767988903537825
Energy: 0.3752495901186909
Energy: 1.054368822901154
Energy: 1.0586472170452277
Energy: 1.0681578338673468
Energy: 1.070179215362119
Energy: 1.0723085930941583
Energy: 1.0685667725439902
Energy: 1.0559817804121157
Energy: 1.0544482537385673
Energy: 1.0548398438480209
Energy: 1.0685203508366474
Energy: 1.0696866132995926
Energy: 1.0723553842215428
Energy: 1.0683611444687304
Energy: 1.0555099703642323
Energy: 0.3684521944184237
Energy: 0.3751341822039402
Energy: 0.3761774452845213
Energy: 0.38046008526045844
Energy: 0.381060316057059
Energy: 0.3781788848126528
Energy: 0.37498133395468686
Energy: 1.0606159970788223
Energy: 1.061148137643537
Energy: 1.0625386775586518
Energy: 1.0672685342417667
Energy: 1.0702354422954625
Energy: 1.0649931226382199
Energy: 1.0616525318804177
Energy: 1.0587020011806478
Energy: 1.0569241313683806
Energy: 1.0691088037991239
Energy: 1.0695884446586583
Energy: 1.071738140187635
Energy: 1.0687927410846731
Energy: 1.0687815484919154
Energy: 0.36857425913801445
Energy: 0.3749567044019828
Energy: 0.37745321861950804
Energy: 0.3801311098677465
Energy: 0.3810882107695567
Energy: 0.379260323517355
Energy: 0.376173533223738
Energy: 0.3685833831967229
Energy: 0.3724565750909507
Energy: 0.37808614356153797
Energy: 0.3810265430329534
Energy: 0.3813627211802244
Energy: 0.3794854811634955
Energy: 0.3761647202353742
Energy: 1.0603643199260087
Energy: 1.060271711385017
Energy: 1.0687456948305214
Energy: 1.0695598044263586
Energy: 1.0716476681411777
Energy: 1.069263481276397
Energy: 1.0698708946826985
Energy: 1.0610765878372181
Energy: 1.061594137076968
Energy: 1.0642977650478498
Energy: 0.38102865011606657
Energy: 0.38128068033862716
Energy: 0.3799571930508437
Energy: 1.0621466433832198
Energy: 0.36873497744562095
Energy: 0.3742146176143888
Energy: 0.37704989482243256
Energy: 0.3807563959847875
Energy: 0.3809341486013496
Energy: 0.3786182455864034
Energy: 0.3756203547219798
Energy: 1.0549498950677618
Energy: 1.0551327444103547
Energy: 1.0684729813904577
Energy: 1.0694039446370802
Energy: 1.0719338506431657
Energy: 1.0688824302941449
Energy: 1.069148803963287
Energy: 1.0598504482890094
Energy: 1.0608429323658017
Energy: 1.0628216759984752
Energy: 1.070329756828156
Energy: 1.072866653890192
Energy: 1.0639108084505602
Energy: 1.0611403042496486
Energy: 0.36847635648607013
Energy: 0.3753595681972165
Energy: 0.3758690925595335
Energy: 0.3802523415585256
Energy: 0.381149054087685
Energy: 0.3774472573912971
Energy: 0.3750691107708557
Energy: 1.060422023924835
Energy: 1.0592447155890814
Energy: 1.0621966277057777
Energy: 1.0701686046778442
Energy: 1.07225311557761
Energy: 1.0687469538630536
Energy: 1.0605876529124003

minimum gb energy = 0.3684521944184237 eV
minimum distance =  2.37696725310897 Angstroms
sigma value = 23