Model name: model_name=MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645806908607
cohesive_energy=4.290547129760511
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, 6.23736976676004e-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: 0.01614926897690437
Energy: 0.01649541145864384
Energy: 1.2659268436407176
Energy: 0.016829712630423897
Energy: 0.016646892718857383
Energy: 1.3457964895855536
Energy: 0.016395019271277966
Energy: 0.016754003383723567
Energy: 0.21630667788937166
Energy: 0.17412292168646193
Energy: 0.1748823484015131
Energy: 0.21455364854710127
Energy: 0.21496773601282682
Energy: 0.17434738141431505
Energy: 0.17471487118861737
Energy: 0.21490728708400142
Energy: 0.2146055023787111
Energy: 0.17469558360469836
Energy: 0.1745018132180028
Energy: 0.2150403177608409
Energy: 0.1742177544701771
Energy: 0.1751908321462383
Energy: 0.21479587468663852
Energy: 0.21569865074693473
Energy: 0.1744502286352601
Energy: 0.1751723935227592
Energy: 0.21556971893985843
Energy: 0.17421361899198623
Energy: 0.17442562292118957
Energy: 0.215283516630191
Energy: 0.17424451323783494
Energy: 0.1746698276416242
Energy: 0.1744184608654052
Energy: 0.2146453233251374
Energy: 0.17437162235718812
Energy: 0.016671953392936967
Energy: 0.2147398848775133
Energy: 0.17413923053019106
Energy: 0.01705140339542039
Energy: 0.017152370905898003
Energy: 0.21524884641265563
Energy: 0.17470028995565143

minimum gb energy = 0.01614926897690437 eV
minimum distance =  2.44919598044577 Angstroms
sigma value = 5


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

Energy: 2.429971861178351
Energy: 1.2683528220557068
Energy: 1.3059860607024059
Energy: 1.2185877631897257
Energy: 1.3374759727483427
Energy: 1.2281060701153033
Energy: 1.171513436490263
Energy: 1.1908164424626588
Energy: 1.2246795549935203
Energy: 1.2548778700936538
Energy: 1.2486868353379093
Energy: 1.2386379090323258
Energy: 1.1972579829279497
Energy: 1.2441415152668134
Energy: 1.21633374729437
Energy: 1.2387467813269308
Energy: 1.2515834953008196
Energy: 1.2270160517138982
Energy: 1.2361315316082486
Energy: 1.2582541704370243
Energy: 1.2269254304834338
Energy: 1.2188676227440571
Energy: 1.2313062947621916
Energy: 1.2325456733957678
Energy: 1.2149361190657026
Energy: 1.2222151590535582
Energy: 1.2337192589194423
Energy: 1.2235791431697292
Energy: 1.2139578407045521
Energy: 1.2438806065006873
Energy: 1.2395313260868759
Energy: 1.2255910864904107
Energy: 1.2267987881727278
Energy: 1.1948192935331614
Energy: 1.2444158556824143
Energy: 1.2471753943902595
Energy: 1.232075969561127
Energy: 1.2390265695095397
Energy: 1.2442109069454657
Energy: 1.2513114172761508
Energy: 1.2282676257133627
Energy: 1.2460284462582254
Energy: 1.2468190295690267
Energy: 1.2244843930698759
Energy: 1.2379741811718066
Energy: 1.2510407746371703
Energy: 1.222073672870335
Energy: 1.2320448835910867
Energy: 1.2406814801812367
Energy: 1.244592817420845
Energy: 1.2248349369792682
Energy: 1.2328111518844067
Energy: 1.251729311032364
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Energy: 1.2271288880361972
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Energy: 1.2076387917163276
Energy: 1.2193425303895877
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Energy: 1.1993069142382595
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Energy: 1.181337962726808
Energy: 1.16445335830042
Energy: 1.1907068325232968
Energy: 1.214549379958803
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Energy: 1.246019236381885
Energy: 1.2857696583040608
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Energy: 1.2524405547701678
Energy: 1.2788144744285572
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Energy: 1.2013811961647247
Energy: 1.201657393537101
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Energy: 1.2055091960342588
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Energy: 1.2093844103552995
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Energy: 1.1548642867040388
Energy: 1.1994910586331455
Energy: 1.2052578632118323
Energy: 1.1857218397628144
Energy: 1.1815757084994511
Energy: 1.217916437656999
Energy: 1.1841217258718026
Energy: 1.1748780879225083
Energy: 1.2466021819222435
Energy: 1.1847140897614452
Energy: 1.213429911651666
Energy: 1.1863808838920993
Energy: 1.161153806026427
Energy: 1.24357062403385
Energy: 1.2081215114399697
Energy: 1.191451889260039
Energy: 1.1738328781454368
Energy: 1.2111677348277625
Energy: 1.1487739033516853
Energy: 1.1688843719912354
Energy: 1.2323947836193565
Energy: 1.1915268282911144
Energy: 1.1646229590051116
Energy: 1.185334430914335
Energy: 1.2147175065779166
Energy: 1.1865046830414911
Energy: 1.1620659382139282
Energy: 1.209002183954388
Energy: 1.2114313724668662
Energy: 1.2385891524961352
Energy: 1.2279374995363364
Energy: 1.2242208390547369
Energy: 1.1691370879030762
Energy: 1.223300806000096
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Energy: 1.2554068739281141
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Energy: 1.2649476970721116
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Energy: 1.1681470940703473
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Energy: 1.2405415650749314
Energy: 1.2026559725022252
Energy: 1.2600390168055031
Energy: 1.2572309850991308
Energy: 1.2303864511776295
Energy: 1.1932121046839974
Energy: 1.202842722464439
Energy: 1.267419726550407
Energy: 1.163889315183918
Energy: 1.2293721027438869
Energy: 1.256909702656508
Energy: 1.1836071232769554
Energy: 1.206416350327352
Energy: 1.1690502168526549
Energy: 1.2468449168224292
Energy: 1.1727847780703904
Energy: 1.1969639875176987
Energy: 1.2117617259275595
Energy: 1.2131131742210608
Energy: 1.202078877245561
Energy: 1.2035262242288902
Energy: 1.2403649005754742
Energy: 1.2057652418930387
Energy: 1.2199601658375963
Energy: 1.260909527370009
Energy: 1.1980095526124923
Energy: 1.201891990392524
Energy: 1.2020269541547866
Energy: 1.193963117620253
Energy: 1.2078560962453937
Energy: 1.2198003460990818
Energy: 1.2027858689530941
Energy: 1.2043733905290441
Energy: 1.198819962463512
Energy: 1.2050101279170702
Energy: 1.2046399540178931
Energy: 1.2164584835340897
Energy: 1.231353147759965
Energy: 1.2102968793411117
Energy: 1.2198420390226774
Energy: 1.223232204120186
Energy: 1.2623427439079757
Energy: 1.183358013972308
Energy: 1.2305547554132632
Energy: 1.220614756624892
Energy: 1.2679048686927052
Energy: 1.2410933201598058
Energy: 1.239357697893589
Energy: 1.2406682308372476
Energy: 1.232698159392838
Energy: 1.2405064193896298
Energy: 1.235907018565903
Energy: 1.225557712829759
Energy: 1.2124879115501006
Energy: 1.2359570444916468
Energy: 1.2386200290383345
Energy: 1.2248294207605788
Energy: 1.2329960506513156
Energy: 1.2442352867025401
Energy: 1.2253860475252405
Energy: 1.2225357164919797
Energy: 1.1957958055589903
Energy: 1.2420373015039086
Energy: 1.2669960600086092
Energy: 1.2371992150820874
Energy: 1.2392951540934818
Energy: 1.2612496283770456
Energy: 1.1978681095559256
Energy: 1.29275599604875
Energy: 1.2195991691262207
Energy: 1.1573038034815728
Energy: 1.1572026218198166
Energy: 1.236170381054624
Energy: 1.1878693415487254

minimum gb energy = 1.1424847118991412 eV
minimum distance =  2.30928312450489 Angstroms
sigma value = 401


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

Energy: 2.0488178416604526
Energy: 1.2565548357600544
Energy: 1.2839492058120043
Energy: 1.1843714776086347
Energy: 1.2162377951572878
Energy: 1.4309563201791862
Energy: 1.2826199615908653
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Energy: 1.2065796173104955
Energy: 1.2024227044802773
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Energy: 1.2016437836011074
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Energy: 1.246306409016507
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Energy: 1.323722581114271
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Energy: 1.1655267893385588
Energy: 1.2425570904585936
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Energy: 1.2401067793558331
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Energy: 1.1277783930812129
Energy: 1.1653866171610545
Energy: 1.2577072895454138
Energy: 1.128273597125705
Energy: 1.1291013131231755
Energy: 1.2086961068221083
Energy: 1.1635476326667262
Energy: 1.1804263992447865
Energy: 1.1842780524749748
Energy: 1.2129481424576907
Energy: 1.1822872558962714
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Energy: 1.2483356646443973
Energy: 1.180094953758889
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Energy: 1.2205496041027135
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Energy: 1.2009490109334464
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Energy: 1.2195059461850473
Energy: 1.2172142959973402
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Energy: 1.2938663553069336
Energy: 1.2204336290834512
Energy: 1.2737408403714288
Energy: 1.2814413065654977
Energy: 1.2709503484039257
Energy: 1.280031315125671
Energy: 1.2930458587038784
Energy: 1.2687917603817371
Energy: 1.2674553496888346
Energy: 1.372445914686021
Energy: 1.2627590330128908
Energy: 1.2774906858390005
Energy: 1.2822721085841609
Energy: 1.2895377954732696
Energy: 1.263098252229791
Energy: 1.266967435313304
Energy: 1.3759519135990852
Energy: 1.2711043058217966
Energy: 1.2647032256475923
Energy: 1.2680456198443149
Energy: 1.2686541402118874
Energy: 1.265331122053845
Energy: 1.2684251862822935
Energy: 1.2234935752590534
Energy: 1.2136202892577437
Energy: 1.244315904729891
Energy: 1.2342427523110389
Energy: 1.246196299188087
Energy: 1.20149369962339
Energy: 1.2856002031840092
Energy: 1.3484562490759298
Energy: 1.213803346369152
Energy: 1.181454386889098
Energy: 1.176241673529213
Energy: 1.1864636072023156
Energy: 1.1760631834073259
Energy: 1.184622134013146
Energy: 1.1966568061477107
Energy: 1.2165142312758512
Energy: 1.244506480195382
Energy: 1.2333209139260157
Energy: 1.2133869933058454
Energy: 1.198491854728625
Energy: 1.2623112257506535
Energy: 1.37403831426315
Energy: 1.2688170964412757
Energy: 1.2650838823116755
Energy: 1.2672575649353497
Energy: 1.2693811273154703
Energy: 1.265459571052082
Energy: 1.2689174449166554
Energy: 1.3678266658217009
Energy: 1.264314756106949
Energy: 1.2719570737425665
Energy: 1.2746360713038352
Energy: 1.269540519269733
Energy: 1.2721710378379538
Energy: 1.2719148873898134
Energy: 1.3728644017287681
Energy: 1.2689908427517587
Energy: 1.2640996803226159
Energy: 1.2677200012133771
Energy: 1.26872036149471
Energy: 1.2658217011598643
Energy: 1.2724357659916583
Energy: 1.1979443849322913
Energy: 1.2142621561710156
Energy: 1.195939056690848
Energy: 1.2274633136353637
Energy: 1.2115514685156825
Energy: 1.2343708382958292
Energy: 1.198758457696325
Energy: 1.1917736136876995
Energy: 1.2243113870419615
Energy: 1.2027173005860583
Energy: 1.190663133546673
Energy: 1.2156292285497337
Energy: 1.2394042801246774
Energy: 1.1854067654339968
Energy: 1.1894112585760988
Energy: 1.1788804402353454
Energy: 1.2035134019931195
Energy: 1.1862563330610056
Energy: 1.181999385469392
Energy: 1.1999720174646564
Energy: 1.190483262343054
Energy: 1.2058036373385246
Energy: 1.201658646151666
Energy: 1.2934681844734823
Energy: 1.2090967809814328
Energy: 1.236531874709804
Energy: 1.2820514128269715
Energy: 1.2087148275110413
Energy: 1.204693975859427
Energy: 1.179363130495474
Energy: 1.3048922138773018
Energy: 1.2086458390394097
Energy: 1.2010239502679667
Energy: 1.2877581475573734
Energy: 1.2685768661419277
Energy: 1.219394548990923
Energy: 1.1771396219693933
Energy: 1.2373072634428464
Energy: 1.220939423638201
Energy: 1.1788767915142806
Energy: 1.2529038338058118
Energy: 1.2200079112534017
Energy: 1.2000551261144559
Energy: 1.190979761341668
Energy: 1.206280165747293
Energy: 1.1674966028099063
Energy: 1.200367290374587
Energy: 1.2120393835089942
Energy: 1.205458298280542

minimum gb energy = 1.1277783930812129 eV
minimum distance =  2.23562602421961 Angstroms
sigma value = 311


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

Energy: 1.4083493536650524
Energy: 1.4590775334078334
Energy: 1.3655585098145797
Energy: 1.3369593799829462
Energy: 1.41611549690336
Energy: 1.2935717896900145
Energy: 1.3646952095232578
Energy: 1.240670869359077
Energy: 1.2459730383714929
Energy: 1.1925021808275342
Energy: 1.2001840604272003
Energy: 1.206315324649122
Energy: 1.1931380787549382
Energy: 1.197602101810595
Energy: 1.1858349133977575
Energy: 1.264141619753564
Energy: 1.1869317840639582
Energy: 1.1897237273945986
Energy: 1.1825090032039869
Energy: 1.2005776184860086
Energy: 1.1982345065552078
Energy: 1.1455267996950902
Energy: 1.2709637547478208
Energy: 1.2436273829838174
Energy: 1.1559699385653186
Energy: 1.1870675127425292
Energy: 1.1780636680787753
Energy: 1.2616798473121875
Energy: 1.2494205191092969
Energy: 1.2507212832693293
Energy: 1.3070707177562617
Energy: 1.216867337560841
Energy: 1.1876940226455228
Energy: 1.249008201699873
Energy: 1.2220163440202496
Energy: 1.3563458393206178
Energy: 1.3596798598209494
Energy: 1.270247225808033
Energy: 1.341295097949715
Energy: 1.3562958747720568
Energy: 1.3706106757034677
Energy: 1.3223255600698127
Energy: 1.3570578514768168
Energy: 1.3515616880895482
Energy: 1.2442967013748614
Energy: 1.3835415613135102
Energy: 1.3457896830331038
Energy: 1.3327340736786963
Energy: 1.3668696925474542
Energy: 1.2357648471678804
Energy: 1.252225795443036
Energy: 1.2591953556851123
Energy: 1.2468567853400456
Energy: 1.2398120364052927
Energy: 1.2526331440431175
Energy: 1.2326431720807383
Energy: 1.2986190089840477
Energy: 1.214495208769525
Energy: 1.2362925855348397
Energy: 1.2093305065834756
Energy: 1.2261564857688427
Energy: 1.2179382182372935
Energy: 1.2579868868792436
Energy: 1.274031527982552
Energy: 1.3273364926848261
Energy: 1.333037672121729
Energy: 1.292590300816062
Energy: 1.257784077794583
Energy: 1.3327561107345598
Energy: 1.286061366321072
Energy: 1.209243277513346
Energy: 1.2138554911112651
Energy: 1.212845073032876
Energy: 1.2249662515152469
Energy: 1.2117728939974166
Energy: 1.2126372234595157
Energy: 1.2033161468938094
Energy: 1.341260919441026
Energy: 1.333994254201761
Energy: 1.2602004320998492
Energy: 1.326813598490042
Energy: 1.32317028967779
Energy: 1.1843483342789045
Energy: 1.3629806766665773
Energy: 1.3401218614831014
Energy: 1.3535531681491422
Energy: 1.3232196171063024
Energy: 1.3259063461209653
Energy: 1.3369016866460648
Energy: 1.350955368461765
Energy: 1.3400461233181205
Energy: 1.1966975012440686
Energy: 1.224738562332431
Energy: 1.2153810648068948
Energy: 1.2022972274894481
Energy: 1.2017856290167408
Energy: 1.2011758586890182
Energy: 1.2077699524745606
Energy: 1.2010496287574737
Energy: 1.2223010276594883
Energy: 1.2962289458862297
Energy: 1.206267635409439
Energy: 1.208299356516076
Energy: 1.2174942250270708
Energy: 1.2418934307240734
Energy: 1.2228692042559182
Energy: 1.2887381928801704
Energy: 1.2454780466695516
Energy: 1.2410205727190171
Energy: 1.2160046400770448
Energy: 1.241828762657581
Energy: 1.2001243153697216
Energy: 1.2697554965468671
Energy: 1.2265650847601308
Energy: 1.22221237872033
Energy: 1.253571838531986
Energy: 1.2665178363802592
Energy: 1.2137963992974434
Energy: 1.2144086158589273
Energy: 1.372594803590355
Energy: 1.31596050973059
Energy: 1.3531937648823538
Energy: 1.3531708415237882
Energy: 1.3546616390421045
Energy: 1.3590430135839955
Energy: 1.3622965490967844
Energy: 1.3614294632887107
Energy: 1.3406000386282413
Energy: 1.3504624337285438
Energy: 1.3593823369233635
Energy: 1.3840146895032044
Energy: 1.3114884070011659
Energy: 1.3120648754134239
Energy: 1.2618544396312381
Energy: 1.2698658273127874
Energy: 1.2130734943057704
Energy: 1.2527933492352217
Energy: 1.2045220132551864
Energy: 1.200002167074617
Energy: 1.2606852561843536
Energy: 1.356829239358784
Energy: 1.241644628495606
Energy: 1.2641339619106882
Energy: 1.2474428714451868
Energy: 1.2241391344623351
Energy: 1.3403301818514477
Energy: 1.264506525841852
Energy: 1.3633352760101554
Energy: 1.2267924072168626
Energy: 1.2060663377198304
Energy: 1.2130057547062238
Energy: 1.18297033287645
Energy: 1.2184976060483934
Energy: 1.3184045726900597
Energy: 1.2593728886039408
Energy: 1.2435955669561534
Energy: 1.204821496886252
Energy: 1.223684758209638
Energy: 1.2004191661979617
Energy: 1.2065267859635842
Energy: 1.2003553695762381
Energy: 1.31540138713744
Energy: 1.3431890324153803
Energy: 1.2984282318485736
Energy: 1.290742246613612
Energy: 1.219967386082499
Energy: 1.3291122369165569
Energy: 1.2957575670824169
Energy: 1.316365945379103
Energy: 1.1649652725806166
Energy: 1.113550688764204
Energy: 1.291275914680066
Energy: 1.3262817936747096
Energy: 1.3296214102653459
Energy: 1.296369644413795
Energy: 1.2322521467226755
Energy: 1.180819141429472
Energy: 1.2051921738598474
Energy: 1.2108510063854288
Energy: 1.203307946544704
Energy: 1.202478183189611
Energy: 1.2097869605512643
Energy: 1.3218570394285778
Energy: 1.2091001865221511
Energy: 1.2064105778519643
Energy: 1.2251995678931573
Energy: 1.220780055677344
Energy: 1.2117845192837402
Energy: 1.3355490125990017
Energy: 1.2709895677172172
Energy: 1.2100429195527524
Energy: 1.1581287169988534
Energy: 1.1717511308781101
Energy: 1.1468425427423048
Energy: 1.2712409459803442
Energy: 1.1882125133898773
Energy: 1.2348295860324738
Energy: 1.2222587401662233
Energy: 1.1923168237434973
Energy: 1.199314795194766
Energy: 1.1948998390536618
Energy: 1.2303831394614186
Energy: 1.2802135888186619
Energy: 1.3750691588337527
Energy: 1.4475150553951663
Energy: 1.4282277412881854
Energy: 1.3548021628675095
Energy: 1.3658568959846602
Energy: 1.32445884849757
Energy: 1.3492230227772117
Energy: 1.3611514151379414
Energy: 1.3475457775111641
Energy: 1.2069979129435335
Energy: 1.2062369418909091
Energy: 1.220939940529964
Energy: 1.200260749585747
Energy: 1.3407940515681422
Energy: 1.2445742367369526
Energy: 1.263510489651347
Energy: 1.2344772341466879
Energy: 1.25369432993687
Energy: 1.2013524765704706
Energy: 1.229450452229124
Energy: 1.227903348516134
Energy: 1.239157382520082
Energy: 1.2896490707458739
Energy: 1.2912237988384427
Energy: 1.2338163062318603
Energy: 1.415358405108783
Energy: 1.2539242109112292
Energy: 1.255064372651194
Energy: 1.240853501973392
Energy: 1.2289579425198907
Energy: 1.235112485392178
Energy: 1.2001129510808544
Energy: 1.1800508760204946
Energy: 1.1993400327413606
Energy: 1.193484631519456
Energy: 1.3494707551802987
Energy: 1.3739394936074802
Energy: 1.2099127627651054
Energy: 1.1875084803324136
Energy: 1.1994508293831154
Energy: 1.191042871305425
Energy: 1.3071773668878914
Energy: 1.3301341157335764
Energy: 1.300006048575543
Energy: 1.2894451375651284
Energy: 1.339061661724255
Energy: 1.337837161276619
Energy: 1.2960884813441038
Energy: 1.3207320986549833

minimum gb energy = 1.113550688764204 eV
minimum distance =  2.30024552897012 Angstroms
sigma value = 39


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

Energy: 1.5504562266497006
Energy: 1.3448189965772814
Energy: 1.3095729564576781
Energy: 1.287753998449888
Energy: 1.3249495756572258
Energy: 1.3308539463739344
Energy: 1.2886227704515822
Energy: 1.2211222747971282
Energy: 1.1710433676081793
Energy: 1.2077127387481443
Energy: 1.2445629573683143
Energy: 1.1802164989135693
Energy: 1.1672206835302634
Energy: 1.2337233034745139
Energy: 1.2453813561559433
Energy: 1.1794519491324025
Energy: 1.2063141207784904
Energy: 1.243870395618685
Energy: 1.2190965107533482
Energy: 1.1808687237007232
Energy: 1.192889056095006
Energy: 1.228977808141031
Energy: 1.09378912678566
Energy: 1.2001073277239123
Energy: 1.261932604146638
Energy: 1.0973806605119283
Energy: 1.0928913152127524
Energy: 1.2092236152483633
Energy: 1.2222342846160243
Energy: 1.1783792032200013
Energy: 1.1829695838930978
Energy: 1.2138773803722542
Energy: 1.1778352493516886
Energy: 1.1781622116293564
Energy: 1.213837032425607
Energy: 1.2481708357282835
Energy: 1.1723291854665607
Energy: 1.196441756391581
Energy: 1.1958237568415155
Energy: 1.182326237358529
Energy: 1.1730400045060323
Energy: 1.1949633144489284
Energy: 1.2223583674421048
Energy: 1.1689755559324437
Energy: 1.1785622397255164
Energy: 1.2519123051786276
Energy: 1.1672848023558327
Energy: 1.1903890090345544
Energy: 1.1954514065981043
Energy: 1.227355992689635
Energy: 1.192341954702019
Energy: 1.1921279942276704
Energy: 1.2265871261194379
Energy: 1.2485307196658375
Energy: 1.1735743946405424
Energy: 1.2741290320351506
Energy: 1.2730827005498875
Energy: 1.280870026717818
Energy: 1.1849421840379146
Energy: 1.2731850262129059
Energy: 1.2802498229565478
Energy: 1.2258118962086744
Energy: 1.2736335031313724
Energy: 1.2732017680316545
Energy: 1.2815112036713834
Energy: 1.2056772774678037
Energy: 1.2962659490946669
Energy: 1.280128264337626
Energy: 1.2966397404373582
Energy: 1.2585066342965296
Energy: 1.2358404710664255
Energy: 1.1915629569237987
Energy: 1.2069780282986495
Energy: 1.271031568483238
Energy: 1.2369070298332683
Energy: 1.1491137619368057
Energy: 1.2441910190911791
Energy: 1.2635026698880456
Energy: 1.1476841210306874
Energy: 1.2061820579868479
Energy: 1.2401383733376838
Energy: 1.2385163010179427
Energy: 1.206628720337072
Energy: 1.2460711955516504
Energy: 1.2832789436547352
Energy: 1.2419360607622068
Energy: 1.3241503907399685
Energy: 1.329966128257683
Energy: 1.2549046007732363
Energy: 1.1576289898757093
Energy: 1.2896460967646597
Energy: 1.2456206510516783
Energy: 1.1842987704919345
Energy: 1.2064216046582994
Energy: 1.2433774949980565
Energy: 1.2153876796471037
Energy: 1.2086598699677598
Energy: 1.2408558828533567
Energy: 1.2943279784505226
Energy: 1.2808605379603106
Energy: 1.2067397283421204
Energy: 1.2473301984808236
Energy: 1.2830472582944232
Energy: 1.1835066124402165
Energy: 1.2581481856752217
Energy: 1.338984068869842
Energy: 1.3191753767958099
Energy: 1.2543359564332783
Energy: 1.2867224676832913
Energy: 1.2965682464328925
Energy: 1.253147686454837
Energy: 1.2770281907348575
Energy: 1.2459707259968162
Energy: 1.1715589506901685
Energy: 1.2078713124766671
Energy: 1.244305139387041
Energy: 1.1795966856371205
Energy: 1.1673071239527837
Energy: 1.2478077762546451
Energy: 1.2454740445054737
Energy: 1.179480083773603
Energy: 1.206448040113933
Energy: 1.2468743565966847
Energy: 1.2188651663150425
Energy: 1.1811036453136912
Energy: 1.1928598929313152
Energy: 1.2297525599921562
Energy: 1.0938201022384753
Energy: 1.2000423946121657
Energy: 1.262042113832895
Energy: 1.1388353107340046
Energy: 1.0929857247644157
Energy: 1.2093154139095736
Energy: 1.220017039533834
Energy: 1.17837487311113
Energy: 1.1830290881288477
Energy: 1.2134641833586186
Energy: 1.1777911477173812
Energy: 1.1827785542295741
Energy: 1.2138964040804188
Energy: 1.2478430220033796
Energy: 1.1723651945947935
Energy: 1.196697032716414
Energy: 1.1959298985533457
Energy: 1.1822720396717097
Energy: 1.1730633849529137
Energy: 1.1951484412504263
Energy: 1.2222196079760388
Energy: 1.1689527487706468
Energy: 1.1932026108591103
Energy: 1.2671105853216071
Energy: 1.1672132918179412
Energy: 1.1893111540130268
Energy: 1.1952881580823986
Energy: 1.2273594860322483
Energy: 1.192424903004427
Energy: 1.1745916569424395
Energy: 1.2268442691137946
Energy: 1.2489040631707682
Energy: 1.1752765019197489
Energy: 1.278137116895248
Energy: 1.2737086031816605
Energy: 1.280555196719483
Energy: 1.184454564734421
Energy: 1.2732234688117863
Energy: 1.2802626271259139
Energy: 1.183601516322752
Energy: 1.2732260516803082
Energy: 1.2733924846315503
Energy: 1.281371038970736
Energy: 1.2056513334187593
Energy: 1.296429630669167
Energy: 1.2801030431554516
Energy: 1.2972830214860274
Energy: 1.2585783964639266
Energy: 1.2359521360604588
Energy: 1.1911906424908305
Energy: 1.206841500088891
Energy: 1.2710227059682822
Energy: 1.237166382395981
Energy: 1.1493951734926287
Energy: 1.2443255533081647
Energy: 1.2636384079121232
Energy: 1.147770399857058
Energy: 1.2058949922636666
Energy: 1.246555383597061
Energy: 1.238939989806278
Energy: 1.2065410870517028
Energy: 1.3029838369823858
Energy: 1.2845509382241216
Energy: 1.1479682478588453
Energy: 1.224464210650981
Energy: 1.3305990082599037
Energy: 1.2551538059132774
Energy: 1.1574628565070315
Energy: 1.2891077174545948
Energy: 1.2457032123972394
Energy: 1.184074545097393
Energy: 1.206572932781743
Energy: 1.24360061826626
Energy: 1.2153002710523853
Energy: 1.2089562473362132
Energy: 1.2406394006642165
Energy: 1.2793386745027555
Energy: 1.281159994730469
Energy: 1.206645326127553
Energy: 1.2326087291273164
Energy: 1.2830194453186032
Energy: 1.3059570973348087
Energy: 1.2591641960082767

minimum gb energy = 1.0928913152127524 eV
minimum distance =  2.23184349931007 Angstroms
sigma value = 21


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

Energy: 1.7531232824346041
Energy: 1.108730252837258
Energy: 1.1246405171448473
Energy: 1.1739712923082732
Energy: 1.1767573738660793
Energy: 1.0503232101732327
Energy: 1.1810521322091097
Energy: 1.1956515368807685
Energy: 1.1116619382357231
Energy: 1.0936329018925701
Energy: 1.1303798597901837
Energy: 1.093789971882472
Energy: 1.0924954087299774
Energy: 1.1672053877412423
Energy: 1.0813207715160027
Energy: 1.090780875574843
Energy: 1.1350452473462664
Energy: 1.0877339710440663
Energy: 1.093424424816342
Energy: 1.093643790930308
Energy: 1.135668060433295
Energy: 1.2106579595363745
Energy: 1.0584938105965132
Energy: 1.0740659493372786
Energy: 1.1169538117722808
Energy: 1.050316018876759
Energy: 1.068866704944341
Energy: 1.1183107722415662
Energy: 1.0660088875267484
Energy: 1.0502322019523933
Energy: 1.1357803056571176
Energy: 1.0912650334570408
Energy: 1.0928952017578903
Energy: 1.0690708283888524
Energy: 1.1144929259980596
Energy: 1.0544294541059667
Energy: 1.0922192854550112
Energy: 1.1359032228667914
Energy: 1.0883306035462694
Energy: 1.072430387510641
Energy: 1.0926177819878686
Energy: 1.1675370792044668
Energy: 1.0151301539335207
Energy: 1.0556419100064918
Energy: 1.0226786825391168
Energy: 1.0302843683932967
Energy: 1.0147579614184552
Energy: 1.0793519199927197
Energy: 1.0459759806926532
Energy: 1.0153959219109616
Energy: 1.0214344337944417
Energy: 1.0646390917752016
Energy: 1.0299719922015849
Energy: 1.014643604118235
Energy: 1.0940480021559826
Energy: 1.0041660027149766
Energy: 1.0533731602988383
Energy: 1.0147843546689765
Energy: 1.1044767981474526
Energy: 1.0518569631123325
Energy: 1.0521935294979268
Energy: 1.1058377142041007
Energy: 1.071055487941088
Energy: 0.9914415874026338
Energy: 0.9913853504609003
Energy: 1.0337625523643157
Energy: 0.9923579858506832
Energy: 0.9925527775318843
Energy: 0.985893242805728
Energy: 1.040513458533226
Energy: 1.0316959151772485
Energy: 1.038382058132565
Energy: 0.9919880487137371
Energy: 1.0751722371181573
Energy: 1.0318080388382103
Energy: 0.992530753424893
Energy: 1.0762309262820835
Energy: 0.9920492313654614
Energy: 0.9919443462637774
Energy: 1.032072746831332
Energy: 1.0728548066294472
Energy: 0.9918675874862781
Energy: 1.0366534869160815
Energy: 1.0775894433880742
Energy: 1.0137487910273786
Energy: 1.015200254939716
Energy: 0.9912717945230453
Energy: 0.9917113409516939
Energy: 1.0858186961853837
Energy: 0.9916786805367197
Energy: 0.991742409493976
Energy: 1.065097396225083
Energy: 1.0070678349324058
Energy: 0.9912423009335548
Energy: 1.0506647994582954
Energy: 1.006710083879039
Energy: 0.9915044655562494
Energy: 0.992025514848124
Energy: 1.0512806154877445
Energy: 1.0796670792614473
Energy: 1.0149481485012777
Energy: 1.029607408481578
Energy: 1.0948256898196254
Energy: 1.0147798598252835
Energy: 1.0525328812295434
Energy: 1.1149677595178575
Energy: 1.082443974161969
Energy: 1.01470128831526
Energy: 1.0297772247167287
Energy: 1.0606567959645912
Energy: 1.0152698766653965
Energy: 1.0306908116415288
Energy: 1.114740037836954
Energy: 1.077908558762913
Energy: 1.015028447676815
Energy: 1.1090181721637455
Energy: 1.0600168798184542
Energy: 1.0150204483069214
Energy: 1.052653849300842
Energy: 1.1349738635324702
Energy: 1.0912796301667493
Energy: 1.0933912693089736
Energy: 1.084610700672082
Energy: 1.0933182183104981
Energy: 1.0943558472798827
Energy: 1.0825940486185635
Energy: 1.122090322552156
Energy: 1.0734228535886146
Energy: 1.1380186382873068
Energy: 1.1161630537046294
Energy: 1.068819611002909
Energy: 1.0507781485777397
Energy: 1.0519029172275371
Energy: 1.1350175826122915
Energy: 1.093785999553639
Energy: 1.0702748175240953
Energy: 1.115154358042262
Energy: 1.093444037593639
Energy: 1.0901524851478104
Energy: 1.1827616616923975
Energy: 1.1352115416504347
Energy: 1.0907748414031777
Energy: 1.1354767403891186
Energy: 1.1526518723343424
Energy: 1.093982396798627
Energy: 1.0947361441618737
Energy: 1.1705267319484025
Energy: 1.188862257293184
Energy: 1.0506188405660488
Energy: 1.22306936432609
Energy: 1.1767955571651043
Energy: 1.050732587431654
Energy: 1.1085255080566432
Energy: 1.2452121089158965
Energy: 1.1668808816127685
Energy: 1.0506694418836804
Energy: 1.0729598990068387
Energy: 1.1765971654430674
Energy: 1.0502392694380105
Energy: 1.0695447351333938
Energy: 1.2351413736073795
Energy: 1.1668550618984697
Energy: 1.1101068939209626
Energy: 1.1356888932133897
Energy: 1.1525287292336202
Energy: 1.0942688904145066
Energy: 1.112055770508203
Energy: 1.1694298552887352
Energy: 1.1952613792236588
Energy: 1.0940158925465773
Energy: 1.1135833652753055
Energy: 1.1954661271241942
Energy: 1.2106662314369814
Energy: 1.1101944524138085
Energy: 1.1827534103576411

minimum gb energy = 0.985893242805728 eV
minimum distance =  2.29380958356513 Angstroms
sigma value = 113


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

Energy: 1.747286204023814
Energy: 0.9633865814708757
Energy: 0.9591156346363942
Energy: 1.0432477580967794
Energy: 1.0431130929467238
Energy: 1.0286715315233244
Energy: 0.9501417689956276
Energy: 0.9732546728023226
Energy: 1.0067252611118132
Energy: 0.9852687968560772
Energy: 0.9841317182520404
Energy: 1.0145405190578434
Energy: 1.0070873894631662
Energy: 1.0001652510558017
Energy: 1.0049048366782214
Energy: 1.0213125959754867
Energy: 1.006879849919714
Energy: 0.9824487312573951
Energy: 0.9722489562084738
Energy: 1.0015526367619645
Energy: 0.9866363524647397
Energy: 0.970078413767651
Energy: 0.994941166214323
Energy: 0.9843282974077704
Energy: 0.9343334847222184
Energy: 0.9468348756656823
Energy: 0.9842640913647643
Energy: 0.9743993840604557
Energy: 0.9239617324045882
Energy: 0.9907951319845574
Energy: 0.9710941062717768
Energy: 0.9802311045033573
Energy: 0.9633224990891424
Energy: 0.9842994793335839
Energy: 0.9754747159896627
Energy: 0.9700162735168564
Energy: 0.9708134420943966
Energy: 0.9688997223970702
Energy: 0.9918335387815512
Energy: 0.9673598677053775
Energy: 1.0088426092763296
Energy: 0.9643712721988269
Energy: 0.9527898357477731
Energy: 1.05749924587335
Energy: 0.9853029771786347
Energy: 0.9350631145093475
Energy: 0.9527506839301202
Energy: 1.0083189738020246
Energy: 0.9628451082848807
Energy: 0.9524627851411264
Energy: 0.9416229077100683
Energy: 0.9795277008405157
Energy: 0.9335853487563937
Energy: 0.9528147162298826
Energy: 1.0021214277306965
Energy: 0.9407214549784139
Energy: 0.9702442408971345
Energy: 0.9719532321580969
Energy: 0.9470641008321979
Energy: 0.9717986512087701
Energy: 0.9548837636494303
Energy: 0.9698731064643635
Energy: 0.9600456325101262
Energy: 0.9236967929407657
Energy: 0.9480402721369309
Energy: 0.9107829763588788
Energy: 0.9491910626576269
Energy: 0.9527713090499672
Energy: 0.9225229970999747
Energy: 0.952775751632397
Energy: 0.9481406745377295
Energy: 0.9485916496711627
Energy: 0.9108807182430955
Energy: 0.9286672690761499
Energy: 0.9375876727485879
Energy: 0.9214257490635346
Energy: 0.9548732617689021
Energy: 0.9613582346354469
Energy: 0.9217808513272666
Energy: 0.9177854120443798
Energy: 0.9635799228163385
Energy: 0.9524060612163253
Energy: 0.9393699025787806
Energy: 0.9632228848090816
Energy: 0.9566137795438832
Energy: 0.9225427037691506
Energy: 0.9106535833793729
Energy: 0.9240333589115927
Energy: 0.9067776160984108
Energy: 0.9110052241992387
Energy: 0.9130110116242048
Energy: 0.9340607962951609
Energy: 0.8893729955398906
Energy: 0.9025035091930627
Energy: 0.8998791680096859
Energy: 0.919114494945391
Energy: 0.8994061255943311
Energy: 0.8933823145405438
Energy: 0.9076071185270987
Energy: 0.9329284592899941
Energy: 0.9117226418654923
Energy: 0.9164602517093405
Energy: 0.9308617938318791
Energy: 0.9204404799951161
Energy: 0.9344746904020244
Energy: 0.8982713966889212
Energy: 0.9071769059886388
Energy: 0.8963863987567741
Energy: 0.9027241950643602
Energy: 0.8984901030199196
Energy: 0.9325147416955167
Energy: 0.899483372573228
Energy: 0.885764987946327
Energy: 0.9076487462127019
Energy: 0.8943977180812843
Energy: 0.8716595287818619
Energy: 0.8823922580284345
Energy: 0.9068447815555494
Energy: 0.9143098585098837
Energy: 0.9165825634756596
Energy: 0.8912395079255829
Energy: 0.9316401783290009
Energy: 0.9017405238700914
Energy: 0.9035808204567883
Energy: 0.9238146016217692
Energy: 0.9073185792482295
Energy: 0.9194657878768683
Energy: 0.9039064569561867
Energy: 0.925985329767619
Energy: 0.9074184317808922
Energy: 0.9027291133732693
Energy: 0.9203866643632181
Energy: 0.9183846571490686
Energy: 0.8833079391106483
Energy: 0.886397473803959
Energy: 0.9013648012378995
Energy: 0.8735489913574859
Energy: 0.8787581181915576
Energy: 0.8938890357833063
Energy: 0.9081699335587333
Energy: 0.910599047938134
Energy: 0.9101935173277627
Energy: 0.8878781895474535
Energy: 0.929915901552355
Energy: 0.9058938924422109
Energy: 0.8890462687313887
Energy: 0.9307257952609411
Energy: 0.9156309062452901
Energy: 0.8902320004111509
Energy: 0.9092463931125936
Energy: 0.9317670505663027
Energy: 0.8878891778025191
Energy: 0.9095126012220188
Energy: 0.93590404112143
Energy: 0.8915390942492848
Energy: 0.9064121160037252
Energy: 0.8785769801629021
Energy: 0.9194006609285941
Energy: 0.8601256412777712
Energy: 0.8802250685278782
Energy: 0.8723241667989604
Energy: 0.9169286886783564
Energy: 0.9114631711847245
Energy: 0.9182452764256333
Energy: 0.9030647164490763
Energy: 0.9235366904581871
Energy: 0.9077310789808929
Energy: 0.9105892765139365
Energy: 0.9172096048691564
Energy: 0.9424237779964615
Energy: 0.8984758007389176
Energy: 0.9228059035445673
Energy: 0.9252724759123445
Energy: 0.8908226394826022
Energy: 0.9007000353091942
Energy: 0.9080153990487251
Energy: 0.9019435760794645
Energy: 0.8819483726954229
Energy: 0.8702595855828451
Energy: 0.8925563963682376
Energy: 0.8844690073331483
Energy: 0.8893127148830376
Energy: 0.8946408119327908
Energy: 0.9152584052526268
Energy: 0.8934401687957948
Energy: 0.8865254247322452
Energy: 0.9329977020374595
Energy: 0.9111028209479652
Energy: 0.8986077824386701
Energy: 0.9334629262845173
Energy: 0.9144902953032163
Energy: 0.9331811038331803
Energy: 0.9165781466415129
Energy: 0.9208632790581709
Energy: 0.930175684625895
Energy: 0.925364773641863
Energy: 0.8923019329758686
Energy: 0.9099032787631152
Energy: 0.9086635892821568
Energy: 0.9002876965322223
Energy: 0.9107641736687289
Energy: 0.9096186494806136
Energy: 0.9360864744910908
Energy: 0.9090823681058865
Energy: 0.911778802152562
Energy: 0.9078218612986276
Energy: 0.9184850574716288
Energy: 0.9094181188151567
Energy: 0.9257051078875443
Energy: 0.9353310308452025
Energy: 0.9340496084423575
Energy: 0.9246525948115393
Energy: 0.9509932989884299
Energy: 0.9577534726888978
Energy: 0.9182570930708713
Energy: 0.953574447224654
Energy: 0.963569302187354
Energy: 0.9328186077801863
Energy: 0.9124490882113019
Energy: 0.9491246801327352
Energy: 0.9573935500021242
Energy: 0.9201011221958697
Energy: 0.9539537618103263
Energy: 0.9490262657215407
Energy: 0.9541611130914733
Energy: 0.9272916761302511
Energy: 0.9555790253473623
Energy: 0.9505610685289485
Energy: 0.9245383554327493
Energy: 0.9574542172150476
Energy: 0.9564153503499288
Energy: 0.9588675873487792
Energy: 0.9744646527710183
Energy: 0.9697747421582679
Energy: 0.9704348486838977
Energy: 0.9688755147135724
Energy: 0.9722103263594765
Energy: 0.9673561933823667
Energy: 0.9381221922112717
Energy: 0.999507802549338
Energy: 0.9505294658884277
Energy: 0.9297175833395853
Energy: 0.9681257102595594
Energy: 0.9650626036229604
Energy: 0.9605946514169688
Energy: 0.9587306741123041
Energy: 1.0004228753585525
Energy: 0.9503532279265311
Energy: 0.9287672459464532
Energy: 1.004859191415714
Energy: 0.9651897054040927
Energy: 0.9593517406958286
Energy: 0.9974789590577804
Energy: 1.006505282859676
Energy: 0.9689958030952158
Energy: 0.9900581241840162
Energy: 0.9665832888322717
Energy: 0.9709574938891367
Energy: 0.9667846931011745
Energy: 1.0050849516613196
Energy: 0.9861705090826706
Energy: 0.9802789759105442
Energy: 0.9760456278315883
Energy: 0.9922747790085718
Energy: 0.9938383376025496
Energy: 0.9506987770352552
Energy: 0.9832843887876779
Energy: 1.084731262765828
Energy: 0.9603428358556141
Energy: 0.9547215188309581
Energy: 0.9927816433912975
Energy: 0.9512557673626253
Energy: 0.9349286241354782
Energy: 0.9832398621229774
Energy: 1.0170368126357883
Energy: 0.9675242157181768
Energy: 0.983555238821473
Energy: 1.0116601760993469
Energy: 1.0250721230610171
Energy: 0.9785658025099536
Energy: 1.0058260432990447
Energy: 1.0026944294809912
Energy: 0.9776251081759608
Energy: 0.983514610224423
Energy: 1.0107835294722707
Energy: 0.9714489987487833
Energy: 0.9684154935014315
Energy: 0.9446873382771286
Energy: 0.9944214640826897
Energy: 1.0301057303984356
Energy: 0.9596263670982766
Energy: 0.9474791105868379
Energy: 1.0261302134151318
Energy: 1.0273817724815153
Energy: 0.9992866251640543
Energy: 1.0181342761238839
Energy: 1.0024856719618516
Energy: 0.9833726477830348
Energy: 1.010980131468283
Energy: 1.000666652002095
Energy: 0.9814448099239099
Energy: 0.9845701398805619
Energy: 1.0037311890626457
Energy: 1.0152827323474805
Energy: 0.9833207935117025
Energy: 1.0121130421786326
Energy: 1.0212365031497828
Energy: 0.9998281456009256
Energy: 1.0214817449478228
Energy: 0.9814345672722595
Energy: 0.9588494302310167
Energy: 1.0368566135829884
Energy: 1.038448932071575
Energy: 0.9515895901082737
Energy: 0.9499893852237266

minimum gb energy = 0.8601256412777712 eV
minimum distance =  2.30146609843897 Angstroms
sigma value = 365


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

Energy: 1.1230154206770933
Energy: 1.0700371358938334
Energy: 1.0699596860496705
Energy: 1.0709131334594757
Energy: 1.0713017199127564
Energy: 1.0702819147444222
Energy: 1.0700245061388625
Energy: 1.0612759247153942
Energy: 0.37248888048732803
Energy: 0.37804478887204046
Energy: 0.3805483007039669
Energy: 0.38144025837486484
Energy: 0.3798193877841745
Energy: 0.37501827400903354
Energy: 0.3685897255109882
Energy: 0.374974469876412
Energy: 0.3772669911872539
Energy: 0.3805495253204918
Energy: 0.38054159340810834
Energy: 0.3788044554247442
Energy: 0.37590332459416126
Energy: 1.0555731004964577
Energy: 1.055626258821479
Energy: 1.0684190862334257
Energy: 1.069551975018998
Energy: 1.072021789454354
Energy: 1.0689749731888685
Energy: 1.0692553389962056
Energy: 1.0601104629169045
Energy: 1.061135410767477
Energy: 1.0628287662747355
Energy: 1.0677616091132147
Energy: 1.0724901175397141
Energy: 1.0641720635601253
Energy: 1.061208842686074
Energy: 0.3684940901269594
Energy: 0.375213616657948
Energy: 0.3757793474205264
Energy: 0.3806542514418507
Energy: 0.38114679333579415
Energy: 0.3776803975364758
Energy: 0.37524979762988747
Energy: 1.0543685328143815
Energy: 1.0586463058765543
Energy: 1.068155974480698
Energy: 1.0701790530947892
Energy: 1.0723083070096713
Energy: 1.0685666050938132
Energy: 1.0559817128111593
Energy: 1.0544477838565867
Energy: 1.0548399820162562
Energy: 1.0685189012547378
Energy: 1.0696864718689394
Energy: 1.0723551516355037
Energy: 1.0683609425227725
Energy: 1.055509913824106
Energy: 0.36845216952992427
Energy: 0.37513403557711567
Energy: 0.37617744743852916
Energy: 0.380460085230004
Energy: 0.381060334757934
Energy: 0.37817884355215614
Energy: 0.37498130599798873
Energy: 1.060615544431906
Energy: 1.0611477560302842
Energy: 1.0625384099046633
Energy: 1.0672992500615506
Energy: 1.0702357587717013
Energy: 1.0649929887070377
Energy: 1.0616524179276414
Energy: 1.0586997857265632
Energy: 1.0569239464589169
Energy: 1.0691086334767754
Energy: 1.0695881535237732
Energy: 1.071738101422379
Energy: 1.0687925373073028
Energy: 1.0687809289343126
Energy: 0.36857423898214897
Energy: 0.3749551385566012
Energy: 0.3774532109427532
Energy: 0.3801312672524421
Energy: 0.38108863118989006
Energy: 0.37926033546666255
Energy: 0.37617354413320947
Energy: 0.3685834066437648
Energy: 0.3724565846640572
Energy: 0.3780861000671845
Energy: 0.38102652176940804
Energy: 0.38136269950674223
Energy: 0.379485336250155
Energy: 0.37616488327360104
Energy: 1.0603642074955526
Energy: 1.060271752757837
Energy: 1.068745513790518
Energy: 1.0695596573065127
Energy: 1.0716475193522685
Energy: 1.069263331396197
Energy: 1.0698705747567674
Energy: 1.0610762126299766
Energy: 1.0615939848123803
Energy: 1.0642977270455996
Energy: 0.38102863724062525
Energy: 0.381280673957981
Energy: 0.37995718063056355
Energy: 1.0621458290174575
Energy: 0.3687352027401883
Energy: 0.37421467370127287
Energy: 0.3770499311474923
Energy: 0.38075657863485945
Energy: 0.38093410882042295
Energy: 0.3786182423304566
Energy: 0.3756203880351543
Energy: 1.0549497736239049
Energy: 1.0551325080638196
Energy: 1.068472766203776
Energy: 1.0694038030166126
Energy: 1.0719359532094124
Energy: 1.068882259029013
Energy: 1.0691486498534173
Energy: 1.0598503317626844
Energy: 1.060843051652621
Energy: 1.0628217425367443
Energy: 1.070329734752207
Energy: 1.072866565182463
Energy: 1.063910616329167
Energy: 1.061140087770998
Energy: 0.3684763082412844
Energy: 0.3753557838256938
Energy: 0.37586929917711703
Energy: 0.3802523100406251
Energy: 0.38114900346425024
Energy: 0.3774471800053889
Energy: 0.3750676507188918
Energy: 1.0604223950545535
Energy: 1.0592446286548927
Energy: 1.0621963181274365
Energy: 1.070168729375822
Energy: 1.0722529474025406
Energy: 1.0687466310236362
Energy: 1.0605879034202983

minimum gb energy = 0.36845216952992427 eV
minimum distance =  2.37696875983815 Angstroms
sigma value = 23