Model name: model_name=SNAP_ChenDengTran_2017_Mo__MO_698578166685_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1599882096052174
cohesive_energy=5.130582657262978
mass=95.95
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=[-2.28207631040424e-20, 4.1785567703037e-20, 1.0054667749629419e-19, 1.590812395135038e-19, 2.2331137924691996e-19, 2.9173713893179197e-19, 3.6100724570278198e-19, 4.2810640313470197e-19, 4.90857253181946e-19, 5.47894741352346e-19, 5.98526727340014e-19, 6.425705630086739e-19, 6.802008856114319e-19, 7.118310567198599e-19, 7.380090207427861e-19, 7.593516156842999e-19, 7.76482088255028e-19, 7.900012546927198e-19, 8.004586615828379e-19, 8.083589945650919e-19, 8.14291854640794e-19, 8.185183966012859e-19, 8.21080277039052e-19, 8.21945452421412e-19, 8.20964920321404e-19, 8.17683662574972e-19, 8.115264977705099e-19, 8.01820511721738e-19, 7.877934552910679e-19, 7.68554518269996e-19, 7.4306549019969e-19, 7.101215342513819e-19, 6.68301519750714e-19, 6.15939182998326e-19, 5.51095890267078e-19, 4.71563842155318e-19, 3.74906128002732e-19, 2.58072203498184e-19, 1.171308078348282e-19, -4.92026842124766e-20, -2.4356289190068e-19, -4.74678473531814e-19, -7.613815734795779e-19, -1.134735192323964e-18, -1.6292053538155797e-18, -2.2610076876671397e-18, -3.0073656508496995e-18, -3.84889290609186e-18, -4.78807282717632e-18, -5.85185402508696e-18, -7.50265671992886e-18, -1.1901993430397759e-17, -2.3391618638736597e-17, -5.573892400854299e-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: -17.2757958404 eV

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

Energy: 0.015857293489770094
Energy: 0.01836658869989439
Energy: 1.8337462839363803
Energy: 0.017564050316804594
Energy: 0.01755510937538549
Energy: 1.833511053739618
Energy: 0.017784860211013626
Energy: 0.017287085860889628
Energy: 0.35972027326399264
Energy: 0.35827020199649473
Energy: 0.2499384068983941
Energy: 0.35953868270908335
Energy: 0.3588229239631483
Energy: 0.24874849636605798
Energy: 0.24873659883405508
Energy: 0.3582791664995389
Energy: 0.35835399784594335
Energy: 0.2483471900389388
Energy: 0.35928701427182586
Energy: 0.35824628814178366
Energy: 0.2488909489534258
Energy: 0.24938265426321776
Energy: 0.35819730982666925
Energy: 0.35831164200727555
Energy: 0.24863413061818504
Energy: 0.2488573357081856
Energy: 0.3584630197529748
Energy: 0.24897528899643037
Energy: 0.24931771592272362
Energy: 0.3631424317769773
Energy: 0.358526248929356
Energy: 0.2539525880432175
Energy: 0.3592942947476973
Energy: 0.3584587757460088
Energy: 0.24892339898028767
Energy: 0.017081885561259544
Energy: 0.35968883372418736
Energy: 0.3583139662136513
Energy: 0.01772135139352186
Energy: 0.017544114737585256
Energy: 0.3589826741384815
Energy: 0.24856951858354662

minimum gb energy = 0.015857293489770094 eV
minimum distance =  2.69945061235744 Angstroms
sigma value = 5


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

Energy: 3.5924783426232323
Energy: 2.8238686602856498
Energy: 2.487868974058861
Energy: 2.983372168266195
Energy: 3.435962353031116
Energy: 2.8759083170781157
Energy: 2.61603271455032
Energy: 2.240546725255733
Energy: 2.2099420411751787
Energy: 2.2953946836160886
Energy: 2.2447463370016716
Energy: 2.2244619558625685
Energy: 2.3631412252360406
Energy: 2.25913311102696
Energy: 2.236267552505511
Energy: 2.2941437285150643
Energy: 2.280310412329857
Energy: 2.2607109913707255
Energy: 2.289060488778585
Energy: 2.345729432490617
Energy: 2.260394211832613
Energy: 2.237486968732233
Energy: 2.294683179845644
Energy: 2.29934489615449
Energy: 2.2491058043997
Energy: 2.303097053841678
Energy: 2.348074646032955
Energy: 2.2500264535287737
Energy: 2.2809147578392857
Energy: 2.24082492507946
Energy: 2.291425268648875
Energy: 2.319300030720695
Energy: 2.254964831604509
Energy: 2.252335687880695
Energy: 2.304285789925789
Energy: 2.3629198096609523
Energy: 2.2485235574749574
Energy: 2.2980064026533094
Energy: 2.3947228487780876
Energy: 2.310229507662129
Energy: 2.2445413820682725
Energy: 2.3342189567322134
Energy: 2.3677480746891235
Energy: 2.2426274293529405
Energy: 2.2979076831090643
Energy: 2.4103858310747706
Energy: 2.4263006087742696
Energy: 2.2879750327530295
Energy: 2.29806838038588
Energy: 2.2308949855007225
Energy: 2.250503463224068
Energy: 2.2960280980226417
Energy: 2.2793571146396054
Energy: 2.3101629255253773
Energy: 2.289280242448155
Energy: 2.2649677786360103
Energy: 2.6987602875171683
Energy: 2.2340076104974425
Energy: 2.264486966237133
Energy: 2.3217521937429946
Energy: 2.2460807352787104
Energy: 2.2350022869017785
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Energy: 2.4799830103844442
Energy: 2.5546474943041626
Energy: 2.256512893467001
Energy: 2.236861896457875
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Energy: 2.283968487775368
Energy: 2.2809521753206727
Energy: 2.310241466023952
Energy: 2.2829367541195955
Energy: 2.295355572579162
Energy: 2.2748861583149176
Energy: 2.321113548757368
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Energy: 2.261433960847223
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Energy: 2.3683745363728983
Energy: 2.2471941471063963
Energy: 2.3240761902600173
Energy: 2.3731882670245987
Energy: 2.310708647955188
Energy: 2.3311482091622793
Energy: 2.2870069372203767
Energy: 2.2728954868972244
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Energy: 2.3160799336947595
Energy: 2.2831438305878713
Energy: 2.252225952360594
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Energy: 2.2549043010976275
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Energy: 2.193324131020667
Energy: 2.2363338511405946
Energy: 2.225370569269273
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Energy: 2.2465437670904067
Energy: 2.2015547866216005
Energy: 2.192720973250823
Energy: 2.1988285346790883
Energy: 2.2305039611465074
Energy: 2.2545797708603157
Energy: 2.2372385250414437
Energy: 2.250494710800052
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Energy: 2.222387878771621
Energy: 2.26952631758283
Energy: 2.221985587342184
Energy: 2.2315142071947895
Energy: 2.2608412596083
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Energy: 2.2366184526783957
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Energy: 2.1582350376024104
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Energy: 2.2759529243617482
Energy: 2.1772904578042787
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Energy: 2.244544421005327
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Energy: 2.1760873737225235
Energy: 2.205366306890273
Energy: 2.2446755843339385
Energy: 2.1662487823688292
Energy: 2.21744147998731
Energy: 2.265627190836439
Energy: 2.1818355598496035
Energy: 2.3396267127495793
Energy: 2.1937123696818785
Energy: 2.2643572062213058
Energy: 2.3328269547968787
Energy: 2.2862149240511873
Energy: 2.1259707119504667
Energy: 2.304395889629028
Energy: 2.37443419739443
Energy: 2.3914964699934727
Energy: 2.3924001695582513
Energy: 2.4194388765840182
Energy: 2.3531465368782443
Energy: 2.396044446119856
Energy: 2.273325818482436
Energy: 2.338260764725829
Energy: 2.1842008373132353
Energy: 2.1351852800035864
Energy: 2.3268699085133293
Energy: 2.218561224236619
Energy: 2.1326609543167074
Energy: 2.289549251878899
Energy: 2.1802391962965677
Energy: 2.2174367156886503
Energy: 2.2284490178026406
Energy: 2.16370274367914
Energy: 2.2401779190865643
Energy: 2.280164116007373
Energy: 2.1747552991514114
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Energy: 2.477263467582257
Energy: 2.338785682232466
Energy: 2.620411008999041
Energy: 2.2933852953286142
Energy: 2.337365773179459
Energy: 2.3323975511841333
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Energy: 2.2986463720008747
Energy: 2.2754631444078828
Energy: 2.172666162961958
Energy: 2.2226038262533963
Energy: 2.275972991243983
Energy: 2.2439048379079276
Energy: 2.219543705744363
Energy: 2.1528849971937425
Energy: 2.1440852022933927
Energy: 2.2697485719512565
Energy: 2.217420451325021
Energy: 2.1253137788381404
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Energy: 2.2023907008131007
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Energy: 2.2464240538028504
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Energy: 2.236891209710294
Energy: 2.1754410705559097
Energy: 2.143513988061795
Energy: 2.2816981018093174
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Energy: 2.2280397468379
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Energy: 2.1789734505379488
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Energy: 2.3838183191143134
Energy: 2.2281359277032937
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Energy: 2.376741726804194
Energy: 2.185835861836963
Energy: 2.279360061959677
Energy: 2.2761177683570093
Energy: 2.361107314954935
Energy: 2.3041329593527835
Energy: 2.321366887856363
Energy: 2.253998564224537
Energy: 2.236925017638146
Energy: 2.2903162030446937
Energy: 2.1862350574193257
Energy: 2.2711532307533027
Energy: 2.4389109000414377
Energy: 2.1897488053449945
Energy: 2.1085593330974555
Energy: 2.190017875004281
Energy: 2.274709482472868
Energy: 2.1625005883471693
Energy: 2.175146972300294
Energy: 2.459246962032702
Energy: 2.495273429987585
Energy: 2.226463546146888
Energy: 2.2893966526825236
Energy: 2.325338482242741
Energy: 2.227174777087049
Energy: 2.4758233404483097
Energy: 2.1583300278712847
Energy: 2.220745870099192
Energy: 2.265170288972323
Energy: 2.251396100150177
Energy: 2.2211699948534402
Energy: 2.239150986421123
Energy: 2.2404620523242715
Energy: 2.160318564157803
Energy: 2.1924288974212978
Energy: 2.2247167834082564
Energy: 2.2160897060741975
Energy: 2.2159326623608053
Energy: 2.272204471218188
Energy: 2.19212985309999
Energy: 2.158801197179526
Energy: 2.1904734711458995
Energy: 2.2447466322069984
Energy: 2.20157974046926
Energy: 2.1927544122980027
Energy: 2.2532856920052993
Energy: 2.232098286895145
Energy: 2.2582396728194434
Energy: 2.2667080763245733
Energy: 2.341321578494162
Energy: 2.2943747158812497
Energy: 2.2579198831853264
Energy: 2.2499655780727923
Energy: 2.2370085083862468
Energy: 2.2331519706086738
Energy: 2.273128393750458
Energy: 2.2621159133280644
Energy: 2.2479171506616695
Energy: 2.25533572815724
Energy: 2.2686681825599813
Energy: 2.267122967522704
Energy: 2.2300340113919956
Energy: 2.2209439233218955
Energy: 2.2967468261137935
Energy: 2.2648927676776456
Energy: 2.2923037959767996
Energy: 2.2392004586308167
Energy: 2.266088514759011
Energy: 2.2983916151174775
Energy: 2.2549806033963593
Energy: 2.2559827748950685
Energy: 2.243993651307302
Energy: 2.261939079291956
Energy: 2.2666121265242634
Energy: 2.263829268716045
Energy: 2.1221778665932844
Energy: 2.638277429679362
Energy: 2.6294884456770276
Energy: 2.268192472144033
Energy: 2.2592737437508017
Energy: 2.657729465026492
Energy: 2.174389204956814

minimum gb energy = 2.1085593330974555 eV
minimum distance =  2.50323863866535 Angstroms
sigma value = 401


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

Energy: 3.2635039642054093
Energy: 2.3023803233922844
Energy: 2.5157988906577358
Energy: 2.569062906619169
Energy: 2.559017758806303
Energy: 2.253613637191413
Energy: 2.302364793969745
Energy: 2.1081043761161444
Energy: 2.154267939755072
Energy: 2.23231309725209
Energy: 2.2165165903518305
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Energy: 2.2127451698005562
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Energy: 2.344115809767289
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Energy: 2.4381634496715607
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Energy: 2.335944105888316
Energy: 2.4410146516357396
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Energy: 2.33572272456532
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Energy: 2.2533208163448517
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Energy: 2.153870672007359
Energy: 2.2189287402777156
Energy: 2.2106326249169204
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Energy: 2.131930709026915
Energy: 2.134361784718666
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Energy: 2.1237449000687008
Energy: 2.175099315235636
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Energy: 2.227280042506288
Energy: 2.1882960176303117
Energy: 2.2757149370544245
Energy: 2.2312540581722398
Energy: 2.154437877878198
Energy: 2.247000614257416
Energy: 2.211520735372699
Energy: 2.21215319564208
Energy: 2.3840895889795366
Energy: 2.2839696375680787
Energy: 2.249006411507571
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Energy: 2.512081365182748
Energy: 2.2822961258694745
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Energy: 2.2731064901834444
Energy: 2.3563835218575413
Energy: 2.3218368859279277
Energy: 2.1558279843845765
Energy: 2.264760520621902
Energy: 2.2394413490054332
Energy: 2.266389816630584
Energy: 2.182474486947924
Energy: 2.2251443479242763
Energy: 2.280463332779473
Energy: 2.4566969988661134
Energy: 2.2013304189779976
Energy: 2.31639975555533
Energy: 2.45626299389404
Energy: 2.5041627155621953
Energy: 2.303361619469061
Energy: 2.3308853567755237
Energy: 2.445998982766128
Energy: 2.214398671792774
Energy: 2.2108211698951457
Energy: 2.2708892268164322
Energy: 2.1822047342801403
Energy: 2.202319887404559
Energy: 2.239662556221025
Energy: 2.1941410065936675
Energy: 2.187613274109506
Energy: 2.217222565878477
Energy: 2.242238780428796
Energy: 2.166476055378604
Energy: 2.236820667671946
Energy: 2.2389492666393953
Energy: 2.547478300109214
Energy: 2.550905191810172
Energy: 2.2812153078433544
Energy: 2.5427631930888848
Energy: 2.2108445640473526
Energy: 2.1709707168461683
Energy: 2.5080984114636515
Energy: 2.2290057126875995
Energy: 2.1943138581702777
Energy: 2.216918560984095
Energy: 2.331058960660122
Energy: 2.2013800388236655
Energy: 2.2572612057514436
Energy: 2.2525365134356687
Energy: 2.515720208649692
Energy: 2.2293295980181016
Energy: 2.214119406458854
Energy: 2.275397684310148
Energy: 2.229823380922105
Energy: 2.216196709119069
Energy: 2.2450590400418307
Energy: 2.524474843003672
Energy: 2.266058675398958
Energy: 2.439038704786605
Energy: 2.2780280848982075
Energy: 2.5678242834143066
Energy: 2.4359094134514914
Energy: 2.363851628612519
Energy: 2.230520415347537
Energy: 2.221788687561979
Energy: 2.214424244592557
Energy: 2.269628358732561
Energy: 2.2164846818576964
Energy: 2.2104492642051863
Energy: 2.313886099632745
Energy: 2.1966004266375325
Energy: 2.1921928001460724
Energy: 2.240362177708764
Energy: 2.2684556818417287
Energy: 2.1992351308699827
Energy: 2.261642163793708
Energy: 2.2382154479586838
Energy: 2.20091351599063
Energy: 2.1684472921692413
Energy: 2.2079787273852967
Energy: 2.276806936657904
Energy: 2.2186725362350157
Energy: 2.2422158161243035
Energy: 2.2348545801165
Energy: 2.196841137279143
Energy: 2.214673954938878
Energy: 2.2724349830847217
Energy: 2.2690094407023906
Energy: 2.2273702773833315
Energy: 2.2273896844402596
Energy: 2.22696390082192
Energy: 2.2559245816189
Energy: 2.234404691007691
Energy: 2.269011364822167
Energy: 2.248462327625264
Energy: 2.246602551699053
Energy: 2.333702203699112
Energy: 2.242790810878151
Energy: 2.215548800449234
Energy: 2.164426133884747
Energy: 2.3060890240553964
Energy: 2.2656419014820086
Energy: 2.2646344349403287
Energy: 2.3867392516191237
Energy: 2.2543488779945045
Energy: 2.2215668934798987
Energy: 2.191324684799124
Energy: 2.2875654590576833
Energy: 2.2174791825213083
Energy: 2.170336782801836
Energy: 2.283766470093591
Energy: 2.221134487167464
Energy: 2.1016519757441037
Energy: 2.194450348133734
Energy: 2.2266324361785754
Energy: 2.1058691204112963
Energy: 2.1020844755278794
Energy: 2.1803400136974616
Energy: 2.211602311211232

minimum gb energy = 2.1016519757441037 eV
minimum distance =  2.48354246550859 Angstroms
sigma value = 311


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

Energy: 2.22958961580336
Energy: 2.183114995266593
Energy: 2.652177949872103
Energy: 2.1949223261033675
Energy: 2.1944918215689184
Energy: 2.1584928893288846
Energy: 2.2047522707921976
Energy: 2.191208434211672
Energy: 2.1901174483482078
Energy: 2.2105565085416687
Energy: 2.198158394290344
Energy: 2.1685889923691692
Energy: 2.195255638800973
Energy: 2.197505433707285
Energy: 2.2447935752853416
Energy: 2.1862554012119433
Energy: 2.1495449907891646
Energy: 2.1809050215097203
Energy: 2.172037152667934
Energy: 2.229501613907982
Energy: 2.191341825450376
Energy: 2.2091101059961353
Energy: 2.197408578759342
Energy: 2.176503512951949
Energy: 2.228306785866981
Energy: 2.2123422126658716
Energy: 2.2059459818690645
Energy: 2.209752928212118
Energy: 2.1947159534329623
Energy: 2.2339348991461385
Energy: 2.2203484058319174
Energy: 2.2211600588030986
Energy: 2.1975407346502154
Energy: 2.220105300885093
Energy: 2.1718945453945446
Energy: 2.215669634679115
Energy: 2.265170714319597
Energy: 2.2204494911126273
Energy: 2.2163344428053793
Energy: 2.207094365105376
Energy: 2.2133987147859426
Energy: 2.2175919333462932
Energy: 2.2100349464140665
Energy: 2.225469417438809
Energy: 2.243707136510796
Energy: 2.192695457746228
Energy: 2.1966930987123923
Energy: 2.2222889100148704
Energy: 2.203908343246791
Energy: 2.1956221611636235
Energy: 2.199497761384779
Energy: 2.2073723652926263
Energy: 2.172020766278786
Energy: 2.2093338432640985
Energy: 2.2005362336234073
Energy: 2.197269610952079
Energy: 2.3775270326750357
Energy: 2.224535894498597
Energy: 2.2347144320618084
Energy: 2.201693736999106
Energy: 2.202945929880681
Energy: 2.190612589796306
Energy: 2.171785513179063
Energy: 2.3072305623287064
Energy: 2.3812671070714564
Energy: 2.4415391218568123
Energy: 2.3736679478414975
Energy: 2.2677079225420353
Energy: 2.407921678124116
Energy: 2.440669076988942
Energy: 2.196242337325646
Energy: 2.214362589751978
Energy: 2.231942673788422
Energy: 2.1933166494966034
Energy: 2.233854495798582
Energy: 2.195850888189432
Energy: 2.1722735184943
Energy: 2.188558933325595
Energy: 2.188527778527174
Energy: 2.230456475724569
Energy: 2.1965378003807925
Energy: 2.162664396931341
Energy: 2.1904390812078907
Energy: 2.225453940032118
Energy: 2.196888283019696
Energy: 2.1894451110120006
Energy: 2.1536972922872644
Energy: 2.153789909982208
Energy: 2.165862139689428
Energy: 2.154943920465846
Energy: 2.204850917463015
Energy: 2.1890280884715816
Energy: 2.173390069684864
Energy: 2.201143530967629
Energy: 2.1687449501122087
Energy: 2.210207983342094
Energy: 2.168359732032173
Energy: 2.1714074767906753
Energy: 2.2522552797707007
Energy: 2.245549822876348
Energy: 2.237725581481954
Energy: 2.190301688692362
Energy: 2.2022463954229625
Energy: 2.1756947200298975
Energy: 2.2459858752685267
Energy: 2.196802807391064
Energy: 2.256439618410456
Energy: 2.2437028073411076
Energy: 2.2498335985320206
Energy: 2.205817668494853
Energy: 2.2938973786127645
Energy: 2.2470491391533796
Energy: 2.23335516652806
Energy: 2.2200674785953027
Energy: 2.1992135447629444
Energy: 2.193571534589811
Energy: 2.2254261658637278
Energy: 2.1748216745273976
Energy: 2.1927082645048688
Energy: 2.2658610207733703
Energy: 2.2301555937505633
Energy: 2.2178040884961625
Energy: 2.1629719926190343
Energy: 2.212529628887028
Energy: 2.2172628970235695
Energy: 2.217994377309924
Energy: 2.2251743840868623
Energy: 2.21727645724095
Energy: 2.191714637859134
Energy: 2.20510488957553
Energy: 2.2100648530104743
Energy: 2.208963999409497
Energy: 2.2045193539347965
Energy: 2.2138750395789546
Energy: 2.2274290297126362
Energy: 2.1850980186061424
Energy: 2.2158830049383673
Energy: 2.2012987747900743
Energy: 2.1677773603496684
Energy: 2.211210866485052
Energy: 2.3715529034264433
Energy: 2.443090661056539
Energy: 2.3788441634352804
Energy: 2.3729223657874603
Energy: 2.189887243564232
Energy: 2.4444593211589063
Energy: 2.390522110226717
Energy: 2.368933027289841
Energy: 2.2923053392634567
Energy: 2.2235411757737746
Energy: 2.247042473925699
Energy: 2.194547059702048
Energy: 2.1739264436093513
Energy: 2.208868769417943
Energy: 2.218111641298388
Energy: 2.2270953465810814
Energy: 2.194613869687102
Energy: 2.216394506652868
Energy: 2.200100499361401
Energy: 2.169285092342624
Energy: 2.228497443732874
Energy: 2.189382292233785
Energy: 2.232221047271185
Energy: 2.198678884715584
Energy: 2.164192150121143
Energy: 2.153259327406177
Energy: 2.1958585614100876
Energy: 2.1863016731323444
Energy: 2.1901168747508684
Energy: 2.232191284903257
Energy: 2.153680501018981
Energy: 2.159456716570153
Energy: 2.154550682248598
Energy: 2.158253057826041
Energy: 2.1714202619702374
Energy: 2.165518647503567
Energy: 2.2127897257192246
Energy: 2.173723716414482
Energy: 2.2155431687884866
Energy: 2.1688158904611328
Energy: 2.1656800694129275
Energy: 2.224171661582354
Energy: 2.2475629472519913
Energy: 2.2833593566831243
Energy: 2.2594874654711123
Energy: 2.2465967638492934
Energy: 2.301087614237846
Energy: 2.297720118084134
Energy: 2.318099572677072
Energy: 2.269246691801321
Energy: 2.1952442478284264
Energy: 2.248831816997406
Energy: 2.2545298406252927
Energy: 2.2830146976114514
Energy: 2.203510994030217
Energy: 2.277756863583671
Energy: 2.2005820787565464
Energy: 2.1959608625653084
Energy: 2.212878856673897
Energy: 2.227014086075669
Energy: 2.179800402780975
Energy: 2.1940662047584163
Energy: 2.2509632666306665
Energy: 2.5498838814811595
Energy: 2.2192347072138268
Energy: 2.1629767308968355
Energy: 2.211955347685952
Energy: 2.2090048541993905
Energy: 2.209376838520456
Energy: 2.228946911704917
Energy: 2.206722333180172
Energy: 2.1953967452247225
Energy: 2.2267272147608317
Energy: 2.199736727865013
Energy: 2.1902588703533246
Energy: 2.19203422919278
Energy: 2.2230495319429893
Energy: 2.239149760612398
Energy: 2.2033207824552177
Energy: 2.210387493243699
Energy: 2.208326292308185
Energy: 2.1682414059368065
Energy: 2.235154228881779
Energy: 2.19018053210379
Energy: 2.4404733490669788
Energy: 2.377300720370539
Energy: 2.369470191657162
Energy: 2.4507223732424013
Energy: 2.4391257085269182
Energy: 2.307124122056005
Energy: 2.3951870268681033
Energy: 2.22092528163996
Energy: 2.19202908795534
Energy: 2.1751362815436868
Energy: 2.1995530886484227
Energy: 2.192179529994555
Energy: 2.2082356090974913
Energy: 2.193615022276625
Energy: 2.2245558816797315
Energy: 2.191222746756366
Energy: 2.221453227039534
Energy: 2.1982070253753294
Energy: 2.172632422158494
Energy: 2.203532404550872
Energy: 2.2236521034860375
Energy: 2.225409585238662
Energy: 2.1864713112910223
Energy: 2.154029733230246
Energy: 2.1524427083422184
Energy: 2.151760048377417
Energy: 2.1586829908045657
Energy: 2.2053196342510692

minimum gb energy = 2.1495449907891646 eV
minimum distance =  2.42529037746201 Angstroms
sigma value = 39


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

Energy: 3.002473372317821
Energy: 2.281609425115518
Energy: 2.262983852466342
Energy: 2.3956325288091564
Energy: 2.2838004537471615
Energy: 2.230049860708608
Energy: 2.400564145528379
Energy: 2.3286991875781475
Energy: 2.3057952557269474
Energy: 2.228164773424911
Energy: 2.338255234905607
Energy: 2.2727232957117067
Energy: 2.2033603839090916
Energy: 2.355981870393606
Energy: 2.355093854913597
Energy: 2.199123789338698
Energy: 2.257313769715214
Energy: 2.3643480148732947
Energy: 2.337588400945908
Energy: 2.2365244974469634
Energy: 2.273908879628182
Energy: 2.42697774000747
Energy: 2.081878518374154
Energy: 2.235336364507652
Energy: 2.2786059631045332
Energy: 2.086265371542493
Energy: 2.08275966795659
Energy: 2.3437469604503196
Energy: 2.22257474562531
Energy: 2.193388605387519
Energy: 2.223621633015016
Energy: 2.228619908244058
Energy: 2.191720398972081
Energy: 2.2360118309479766
Energy: 2.2221147960168826
Energy: 2.2402410883953925
Energy: 2.1783921961471013
Energy: 2.218991373958104
Energy: 2.2171558609750286
Energy: 2.1746877253773294
Energy: 2.1895041034851097
Energy: 2.21588333936163
Energy: 2.2411285200815323
Energy: 2.1716567719301683
Energy: 2.223095925933599
Energy: 2.314119934290496
Energy: 2.2759955603402346
Energy: 2.1823889456621464
Energy: 2.2074870914502895
Energy: 2.280086408169098
Energy: 2.227863371575733
Energy: 2.1869831448691506
Energy: 2.2782621261992966
Energy: 2.272747289652499
Energy: 2.2415247123423163
Energy: 2.2461501152455092
Energy: 2.283628462133961
Energy: 2.274688471289787
Energy: 2.251374748195393
Energy: 2.2732448769945286
Energy: 2.2740225499598545
Energy: 2.225140852131541
Energy: 2.316273130726755
Energy: 2.2832810951944933
Energy: 2.3676242002855457
Energy: 2.5346172073191457
Energy: 2.2913156752712527
Energy: 2.273713372486236
Energy: 2.3978837509898057
Energy: 2.2718375953408176
Energy: 2.295838883923218
Energy: 2.3096469172120777
Energy: 2.2674722924357797
Energy: 2.377306300989854
Energy: 2.272940071587439
Energy: 2.2445391020679173
Energy: 2.364601163775387
Energy: 2.3729081405721373
Energy: 2.171397377012167
Energy: 2.2695999284733555
Energy: 2.3694965543946487
Energy: 2.2906809675592976
Energy: 2.270691160782995
Energy: 2.270141369882982
Energy: 2.67677517598631
Energy: 2.7201126689601485
Energy: 2.356364536551772
Energy: 2.3351281588212847
Energy: 2.7356488150583322
Energy: 2.7216441391447264
Energy: 2.513988943363184
Energy: 2.374375510622031
Energy: 2.227100967246637
Energy: 2.273835315471796
Energy: 2.3619659041917247
Energy: 2.287550598706158
Energy: 2.275314961781033
Energy: 2.3555448615883265
Energy: 2.2819554855500463
Energy: 2.2717101025068818
Energy: 2.270011832328313
Energy: 2.3361779509911016
Energy: 2.2720288473669
Energy: 2.252807617914853
Energy: 2.35593098369561
Energy: 2.280821587365377
Energy: 2.4069124137861793
Energy: 2.4792222600360607
Energy: 2.3988084149420845
Energy: 2.400579340986098
Energy: 2.4895776764461623
Energy: 2.3990461441283757
Energy: 2.34384362825566
Energy: 2.306163215228012
Energy: 2.2281254971876394
Energy: 2.3651486568287585
Energy: 2.2723314918020336
Energy: 2.2019341657137868
Energy: 2.3557066720386284
Energy: 2.3772117479208954
Energy: 2.1991463932224704
Energy: 2.2577742311769438
Energy: 2.354871526001858
Energy: 2.3138386914839892
Energy: 2.237568514417756
Energy: 2.274966465678268
Energy: 2.4269305393810465
Energy: 2.08177666790025
Energy: 2.2344574207463004
Energy: 2.2804609373319336
Energy: 2.086346749104078
Energy: 2.0831019087624427
Energy: 2.3435403710226566
Energy: 2.2216857628684057
Energy: 2.193194828329156
Energy: 2.2222889047796976
Energy: 2.2286229483420392
Energy: 2.1914948471121187
Energy: 2.2351034024514416
Energy: 2.222020025659249
Energy: 2.239995712555303
Energy: 2.1783484814732823
Energy: 2.219442297303589
Energy: 2.217937309784492
Energy: 2.1743937272687246
Energy: 2.1892665863635696
Energy: 2.2156022406034217
Energy: 2.2423790987200665
Energy: 2.17121176186214
Energy: 2.223748088401685
Energy: 2.3150092059053042
Energy: 2.2766430725732043
Energy: 2.207939180768068
Energy: 2.20805998091767
Energy: 2.2807210184335314
Energy: 2.2288378929915527
Energy: 2.1878645831857018
Energy: 2.278291058038596
Energy: 2.2724082189056096
Energy: 2.240734295779288
Energy: 2.2483403218678935
Energy: 2.2840422910851155
Energy: 2.275710751699416
Energy: 2.2516703107378957
Energy: 2.2740128228904823
Energy: 2.2742825737033283
Energy: 2.2250941026703552
Energy: 2.317019658517626
Energy: 2.2835296803721246
Energy: 2.270830113332354
Energy: 2.534532476111788
Energy: 2.2729021837236556
Energy: 2.2736926448697146
Energy: 2.39803818045834
Energy: 2.2678336571085524
Energy: 2.2957658774657643
Energy: 2.310483182911289
Energy: 2.2674223863097245
Energy: 2.35603640114883
Energy: 2.271890003560913
Energy: 2.245239981720564
Energy: 2.364128931359141
Energy: 2.3731906629035477
Energy: 2.171448881453475
Energy: 2.271331483952091
Energy: 2.3711474758567848
Energy: 2.2942876265365473
Energy: 2.2700798228129018
Energy: 2.3362539381302216
Energy: 2.67798562652012
Energy: 2.7205279708829395
Energy: 2.3476495621755946
Energy: 2.3354631667477626
Energy: 2.736205902769089
Energy: 2.721083052656359
Energy: 2.36414894670926
Energy: 2.3734869442577184
Energy: 2.2209358850649807
Energy: 2.2727341635683023
Energy: 2.360710937783898
Energy: 2.2874443925679286
Energy: 2.2746556233522437
Energy: 2.3556012228208454
Energy: 2.2821774104605637
Energy: 2.272579203999814
Energy: 2.2698063955964463
Energy: 2.335260941789159
Energy: 2.272479090715046
Energy: 2.2507189474015137
Energy: 2.357945892644534

minimum gb energy = 2.08177666790025 eV
minimum distance =  2.4819534908996 Angstroms
sigma value = 21


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

Energy: 3.3131829834919824
Energy: 2.224003201894522
Energy: 2.2231838486839064
Energy: 2.372066321956214
Energy: 2.4808928792223504
Energy: 2.521748091398406
Energy: 2.22305060270377
Energy: 2.313316729588482
Energy: 2.253942319541217
Energy: 2.232886739643162
Energy: 2.215804117674644
Energy: 2.2409646469887625
Energy: 2.253013892948546
Energy: 2.3264842776556933
Energy: 2.348525158239163
Energy: 2.1797783670336854
Energy: 2.229727838949807
Energy: 2.3328065896719146
Energy: 2.247520322939981
Energy: 2.2480595082986965
Energy: 2.214469935616049
Energy: 2.3312491367391455
Energy: 2.1210126249325607
Energy: 2.1194209045074976
Energy: 2.217341589581562
Energy: 2.248931840688516
Energy: 2.118360038622598
Energy: 2.217343254851119
Energy: 2.110757311051982
Energy: 2.118888715731998
Energy: 2.2327779916619397
Energy: 2.214934879799443
Energy: 2.183780295292013
Energy: 2.11641709451142
Energy: 2.216294096901803
Energy: 2.1094816461900936
Energy: 2.1821574563359984
Energy: 2.235696351671876
Energy: 2.121116813138715
Energy: 2.19600033440074
Energy: 2.1837586424520734
Energy: 2.2183271527155104
Energy: 2.110119708906837
Energy: 2.147707818063911
Energy: 2.0896392310103447
Energy: 2.131029468756176
Energy: 2.1038853851263024
Energy: 2.165287106463253
Energy: 2.1193205412185767
Energy: 2.111091996214113
Energy: 2.10547120837561
Energy: 2.19450935025375
Energy: 2.107428478024838
Energy: 2.1074905892761775
Energy: 2.1757978340281796
Energy: 2.116469812985341
Energy: 2.1095214802071234
Energy: 2.104203986430231
Energy: 2.2340344388971114
Energy: 2.1022083932197737
Energy: 2.106200113426497
Energy: 2.2312796894720526
Energy: 2.1144607936747892
Energy: 2.041675362214506
Energy: 2.0351335831782706
Energy: 2.15707048524049
Energy: 2.096117822825202
Energy: 2.035075000521593
Energy: 2.1052377262114277
Energy: 2.123801971631341
Energy: 2.180070600553734
Energy: 2.1593090133449047
Energy: 2.164389120201035
Energy: 2.1604351572050375
Energy: 2.1556775558233534
Energy: 2.164254397759308
Energy: 2.1635912151607815
Energy: 2.167110695169588
Energy: 2.1615704879577673
Energy: 2.176807540035717
Energy: 2.1641142889956013
Energy: 2.167185773409076
Energy: 2.160770868305007
Energy: 2.1593993534059486
Energy: 2.1279697652144653
Energy: 2.0985841588591843
Energy: 2.0331132235940146
Energy: 2.034234797495891
Energy: 2.089228657836584
Energy: 2.0358804168458895
Energy: 2.0393761907115113
Energy: 2.182154590057742
Energy: 2.039883625082635
Energy: 2.0352747950762837
Energy: 2.0322090047863957
Energy: 2.1991583801246204
Energy: 2.0345121838643987
Energy: 2.040491584108417
Energy: 2.180939169898683
Energy: 2.1764433380457113
Energy: 2.1064107493610407
Energy: 2.1026761781797014
Energy: 2.1047592977092315
Energy: 2.102483272723723
Energy: 2.104338225864217
Energy: 2.206603062472437
Energy: 2.16424868156778
Energy: 2.1038211636022868
Energy: 2.122950307384735
Energy: 2.240140176251908
Energy: 2.106655631200827
Energy: 2.129096132887313
Energy: 2.2073818906564724
Energy: 2.1696491033034624
Energy: 2.123099094681781
Energy: 2.199084229602963
Energy: 2.2383437789364224
Energy: 2.11025114517826
Energy: 2.1126155935293998
Energy: 2.223762869068482
Energy: 2.1832972690606636
Energy: 2.1960510564506435
Energy: 2.2164088626547964
Energy: 2.240726408945577
Energy: 2.1860756241096877
Energy: 2.1989818045953595
Energy: 2.220773628755443
Energy: 2.118422155396552
Energy: 2.1335267900849404
Energy: 2.216699681083816
Energy: 2.1181249473843353
Energy: 2.122526633180686
Energy: 2.2094017328780935
Energy: 2.225559561074063
Energy: 2.251506668591289
Energy: 2.2394166171965844
Energy: 2.211745474547889
Energy: 2.241492193628746
Energy: 2.180176469130155
Energy: 2.327281974511882
Energy: 2.226079444982443
Energy: 2.250621206320314
Energy: 2.2335223210272064
Energy: 2.3309844630928303
Energy: 2.249129699750308
Energy: 2.2539884955717797
Energy: 2.345471064509013
Energy: 2.2272050325605206
Energy: 2.4761511971116077
Energy: 2.333711981031569
Energy: 2.3447998983614364
Energy: 2.250386174100749
Energy: 2.2206352723795924
Energy: 2.331149075073554
Energy: 2.341480785375999
Energy: 2.121855538137917
Energy: 2.3317997478292662
Energy: 2.3456370255122496
Energy: 2.2485185825192584
Energy: 2.118868390793342
Energy: 2.332056185563497
Energy: 2.3599157244532085
Energy: 2.2573872411808784
Energy: 2.2332272048563655
Energy: 2.3292544034046823
Energy: 2.245853906463439
Energy: 2.252959383740119
Energy: 2.3445051522232685
Energy: 2.317134353179194
Energy: 2.2521835575480456
Energy: 2.236595801789528
Energy: 2.339091802193413
Energy: 2.3417566109894774
Energy: 2.2484378148843436
Energy: 2.3279522385541256

minimum gb energy = 2.0322090047863957 eV
minimum distance =  2.5209449652154 Angstroms
sigma value = 113


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

Energy: 3.246643506068174
Energy: 2.013198812767047
Energy: 1.963916111514898
Energy: 2.190789598666349
Energy: 2.190308278617094
Energy: 1.9638310020838914
Energy: 2.0143479000415074
Energy: 2.096142314734716
Energy: 2.0738720613413677
Energy: 2.0618768053925782
Energy: 2.0834882414299103
Energy: 2.104908870599845
Energy: 2.007692041569709
Energy: 2.092282683001471
Energy: 2.0801260705905484
Energy: 2.0370417063593553
Energy: 2.0739489552055446
Energy: 2.0378034955479496
Energy: 2.0996100679871756
Energy: 1.9854725879735993
Energy: 2.064150194396476
Energy: 1.9485632189793496
Energy: 2.036773314422942
Energy: 2.019164120162698
Energy: 1.9514945070092125
Energy: 1.9632032055506243
Energy: 2.024155758052949
Energy: 2.0501401549560314
Energy: 1.9045121704890342
Energy: 2.032163562006175
Energy: 1.9996053970972403
Energy: 2.0365368239479036
Energy: 2.0034526789206364
Energy: 2.020834376950366
Energy: 2.046745850437678
Energy: 1.999281557661385
Energy: 2.0508781517683348
Energy: 1.9654259898028923
Energy: 2.020974361282131
Energy: 1.984297215724528
Energy: 1.96146021030608
Energy: 2.012631697677711
Energy: 1.9823231890763124
Energy: 2.0785846127461594
Energy: 1.9899649423192967
Energy: 1.963869352086944
Energy: 1.982488563167198
Energy: 1.9920281228915129
Energy: 1.9639941358514454
Energy: 1.982317443584855
Energy: 2.00456959601645
Energy: 1.9524911852275955
Energy: 1.9570896256666435
Energy: 1.9809623677976658
Energy: 2.0131554513150944
Energy: 1.9283821009212379
Energy: 1.9917369458218843
Energy: 1.984616665087587
Energy: 1.9789404686769987
Energy: 2.0125940486807012
Energy: 1.9906614335264046
Energy: 1.970145707712489
Energy: 1.9970648877624442
Energy: 1.912237219093911
Energy: 1.9577908708695995
Energy: 1.9858207847712999
Energy: 1.9842870589205537
Energy: 1.9518129548984537
Energy: 1.9394143067564553
Energy: 1.9604416166014296
Energy: 1.9196914909395166
Energy: 1.960283983472855
Energy: 1.958205286100323
Energy: 1.9142095436355333
Energy: 1.9028490687245603
Energy: 1.9623724799536555
Energy: 1.9557229003145835
Energy: 1.9857231479627486
Energy: 1.922505757915379
Energy: 1.9441633064365538
Energy: 1.962261960839415
Energy: 1.945302872539411
Energy: 1.9398012938195228
Energy: 1.962717111745139
Energy: 1.9362041975734101
Energy: 1.895371115977843
Energy: 1.8648276380266668
Energy: 1.9040569524486057
Energy: 1.9156134571493533
Energy: 1.8615382094131596
Energy: 1.8875162769341165
Energy: 1.8936912385754663
Energy: 1.861986737907969
Energy: 1.8598070313890305
Energy: 1.901918225321784
Energy: 1.9009544344400602
Energy: 1.8363176479730066
Energy: 1.8883650273071622
Energy: 1.8976958014268466
Energy: 1.9442240606988634
Energy: 1.8859342851912688
Energy: 1.9051589108052445
Energy: 1.9526033954668969
Energy: 1.8950901306854422
Energy: 1.899499400791004
Energy: 1.8482624847106806
Energy: 1.870614508872104
Energy: 1.869229661865179
Energy: 1.8438542034882401
Energy: 1.8635837506970923
Energy: 1.8871051267406953
Energy: 1.8566515227166682
Energy: 1.8410030455845432
Energy: 1.8561399974482173
Energy: 1.8691571646407354
Energy: 1.836259045400677
Energy: 1.852667434287319
Energy: 1.8713692209357775
Energy: 1.8327341670711295
Energy: 1.8610371489354978
Energy: 1.8468707692944755
Energy: 1.9420886895733347
Energy: 1.8745789298429512
Energy: 1.8591246005040236
Energy: 1.9358431962708096
Energy: 1.905414832737544
Energy: 1.8726823958855243
Energy: 1.8463724027083777
Energy: 1.922792386740021
Energy: 1.8654867963409454
Energy: 1.8623036752665616
Energy: 1.9264593797781002
Energy: 1.8821259650094018
Energy: 1.8323866848178472
Energy: 1.8236920471294302
Energy: 1.863145466480257
Energy: 1.8524600706510392
Energy: 1.809859175251931
Energy: 1.8539917075215777
Energy: 1.8632703895338796
Energy: 1.9196425369185688
Energy: 1.8600501742496551
Energy: 1.8813609505834104
Energy: 1.8855582280002234
Energy: 1.8725952335126348
Energy: 1.8755761944323763
Energy: 1.8876249331067423
Energy: 1.9009440350459028
Energy: 1.8683188929512806
Energy: 1.8702360466793553
Energy: 1.898714901740258
Energy: 1.8850372088048855
Energy: 1.885091556451484
Energy: 1.8906208893743535
Energy: 1.871845486940596
Energy: 1.836120165251569
Energy: 1.810000204695429
Energy: 1.8441823252885559
Energy: 1.8482919281422574
Energy: 1.8046685469024413
Energy: 1.8267681122456907
Energy: 1.8964222901131984
Energy: 1.8658124950155708
Energy: 1.8565885011357401
Energy: 1.87538150930086
Energy: 1.8941510839805578
Energy: 1.8540183662779208
Energy: 1.8718970714746426
Energy: 1.8588121471522603
Energy: 1.8777967927740842
Energy: 1.8601818237857781
Energy: 1.8840249113028258
Energy: 1.9299823886201113
Energy: 1.8642429977025032
Energy: 1.8732853104331604
Energy: 1.8485169867922628
Energy: 1.8644195050972647
Energy: 1.855916791662914
Energy: 1.840335000204631
Energy: 1.8708382179533705
Energy: 1.8750344562790835
Energy: 1.8190848922055336
Energy: 1.846769728608208
Energy: 1.854315357024214
Energy: 1.8460761382942197
Energy: 1.8347384091789554
Energy: 1.866160130631135
Energy: 1.867225263681896
Energy: 1.8214884114181695
Energy: 1.8680380116896191
Energy: 1.858860385002845
Energy: 1.9410723085217065
Energy: 1.875520461174442
Energy: 1.8695423298955864
Energy: 1.9181008959144195
Energy: 1.8564585579415538
Energy: 1.849710419831594
Energy: 1.850799254416242
Energy: 1.893656724547977
Energy: 1.8758286165915115
Energy: 1.843004334432676
Energy: 1.862087451729692
Energy: 1.8871367343491723
Energy: 1.861459765701804
Energy: 1.8543306812715
Energy: 1.8991291050389978
Energy: 1.8855608177058982
Energy: 1.8395660607073274
Energy: 1.8751746973108454
Energy: 1.8971040517050979
Energy: 1.9174618600420628
Energy: 1.9109693287236145
Energy: 1.9144172126262313
Energy: 1.936367316414365
Energy: 1.895308981832418
Energy: 1.9063960994967324
Energy: 1.9405679662623596
Energy: 1.8903801405830978
Energy: 1.8616973492316653
Energy: 1.8719400211183108
Energy: 1.926812990173697
Energy: 1.9135120171471505
Energy: 1.86020854742029
Energy: 1.8857907879231754
Energy: 1.9354326109371984
Energy: 1.9281796035747547
Energy: 1.918110185969099
Energy: 1.943353330838275
Energy: 1.9392324719933962
Energy: 1.9164760620548509
Energy: 1.9292364399450996
Energy: 1.9285919258917599
Energy: 1.9705441399451424
Energy: 1.9450486796984272
Energy: 1.9626678055123492
Energy: 1.9557330350275735
Energy: 1.9515001214537826
Energy: 1.9593454420851903
Energy: 1.8784509801917748
Energy: 1.9618179449023756
Energy: 1.9299436774303707
Energy: 1.8798756677977226
Energy: 1.8858669335921139
Energy: 1.9362949000561378
Energy: 1.9537694409351634
Energy: 1.9012745046666717
Energy: 2.003879557726905
Energy: 1.9572233502032153
Energy: 1.8937633637840166
Energy: 2.0436242036969827
Energy: 1.9772378327434412
Energy: 1.9338929174478068
Energy: 2.0240554695021427
Energy: 2.0070513721240606
Energy: 1.9577616092946855
Energy: 1.9967408650273926
Energy: 2.0400748361388645
Energy: 1.9978571993196919
Energy: 1.9467659170024585
Energy: 2.0155367504167967
Energy: 1.964034516380299
Energy: 1.928293920591705
Energy: 2.011564257382645
Energy: 1.9653406615574032
Energy: 1.9838307521229264
Energy: 1.98263676902506
Energy: 2.0652946486892665
Energy: 2.0178899731611097
Energy: 1.9050703031908238
Energy: 1.981453049946328
Energy: 1.9884001857969227
Energy: 1.904808473643632
Energy: 1.999317068258962
Energy: 2.0365290285632094
Energy: 2.0830104628575126
Energy: 2.0076817852596993
Energy: 2.020838991624637
Energy: 2.0791227936731076
Energy: 2.0113280201773374
Energy: 2.0360815500990803
Energy: 2.0622109401457793
Energy: 1.9878360358156755
Energy: 2.0747560151665616
Energy: 2.022438954200167
Energy: 2.0698363401283197
Energy: 2.003938196166773
Energy: 2.0958932397093126
Energy: 2.2033995422688806
Energy: 2.138735303212204
Energy: 2.0279740644808246
Energy: 1.974406454112901
Energy: 1.9160737954458817
Energy: 2.0210045995670174
Energy: 2.1230377855532154
Energy: 2.0761487776215133
Energy: 2.023786091870728
Energy: 2.003218129665999
Energy: 2.1244789427183095
Energy: 2.089904846443639
Energy: 2.005243749507736
Energy: 2.046196991606524
Energy: 2.096937259284941
Energy: 2.1135493602533177
Energy: 2.004058064651814
Energy: 2.1107566612392095
Energy: 2.129747433904638
Energy: 2.019783355608067
Energy: 2.142405759585158
Energy: 2.0965190944503216
Energy: 2.0030205087047612
Energy: 2.001786764671068
Energy: 2.0275053289530636
Energy: 2.025565330728436
Energy: 1.9335981733264866
Energy: 2.0285472615087548

minimum gb energy = 1.8046685469024413 eV
minimum distance =  2.51265326303832 Angstroms
sigma value = 365


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

Energy: 3.012053331195893
Energy: 2.296415085227462
Energy: 2.2996202731522506
Energy: 2.298444358255503
Energy: 2.2974150028111566
Energy: 2.300054723344113
Energy: 2.298535513894704
Energy: 1.585076983249891
Energy: 0.9101681532642084
Energy: 0.8904181209607088
Energy: 0.8895669367721212
Energy: 0.8890850627519803
Energy: 0.8900619365408691
Energy: 0.890291769115238
Energy: 0.9057850239845228
Energy: 0.9106231796316061
Energy: 0.8895309340034546
Energy: 0.8894595718408581
Energy: 0.8894413160336045
Energy: 0.8899683734024265
Energy: 0.890988557204183
Energy: 1.585449404920046
Energy: 1.5827213739374657
Energy: 2.295809324071028
Energy: 2.3170807834243017
Energy: 2.3170494055774813
Energy: 2.3207628230233364
Energy: 2.2949534745657547
Energy: 1.6012868488474736
Energy: 1.580591812547586
Energy: 1.5873533001214821
Energy: 1.5829496324327308
Energy: 2.294388643666592
Energy: 1.6060262170216808
Energy: 1.772630198152834
Energy: 0.9056914887164094
Energy: 0.891638278239702
Energy: 0.8902412963635407
Energy: 0.890240694518273
Energy: 0.8901770202864145
Energy: 0.8908603071600659
Energy: 0.8901344850637002
Energy: 1.5846078657811058
Energy: 1.6080972230421577
Energy: 2.29399025602495
Energy: 2.294662500917311
Energy: 2.294424016124014
Energy: 2.295701441136195
Energy: 1.6070642534865702
Energy: 1.5846919928586334
Energy: 1.6093468445044112
Energy: 2.294261166353422
Energy: 2.2979574585756337
Energy: 2.2952332697696196
Energy: 2.2934755449194597
Energy: 1.6077163045047898
Energy: 0.905605761427206
Energy: 0.8929736955012259
Energy: 0.8901945226908116
Energy: 0.8900022306234664
Energy: 0.8897158980992268
Energy: 0.889886025691262
Energy: 0.8906433524247167
Energy: 1.5997169083640441
Energy: 1.5816369367402332
Energy: 1.7770055520947534
Energy: 1.6094038160375501
Energy: 1.5851029467319675
Energy: 1.5849026485830293
Energy: 1.590478737488369
Energy: 1.5961070555871348
Energy: 1.582206819930907
Energy: 2.298672495617218
Energy: 2.312123943398929
Energy: 2.310775517028548
Energy: 2.313608305518569
Energy: 2.3143599962643355
Energy: 0.9055254816894281
Energy: 0.910433314566473
Energy: 0.889557980850902
Energy: 0.8895439894834497
Energy: 0.8901934042081714
Energy: 0.8912251019186364
Energy: 0.8908987079355097
Energy: 0.9062073293683292
Energy: 0.9109407955642305
Energy: 0.8895594699130925
Energy: 0.8917054559183607
Energy: 0.8901404476631581
Energy: 0.8899220206806502
Energy: 0.8903464779674647
Energy: 1.5856012601866523
Energy: 1.5836257206456599
Energy: 2.300716509295198
Energy: 2.2969528807637336
Energy: 2.2961020664512826
Energy: 2.300627039240044
Energy: 2.3004159209019863
Energy: 1.599395352124403
Energy: 1.5806725185195623
Energy: 1.5874641625970047
Energy: 0.8927705056364915
Energy: 0.8922529913984156
Energy: 0.8902121546225806
Energy: 1.7795419474566219
Energy: 0.9058029765584062
Energy: 0.8922578307103889
Energy: 0.8901155100245045
Energy: 0.893400952384618
Energy: 0.8905608690794367
Energy: 0.8907287503763547
Energy: 0.8921444469483113
Energy: 1.584820629955074
Energy: 1.5829227920165658
Energy: 2.2957326667031164
Energy: 2.2963812562464407
Energy: 2.3167325463397916
Energy: 2.2958730591547267
Energy: 2.2957913152676794
Energy: 1.6032136690265444
Energy: 1.5798129052306877
Energy: 1.5863994601499338
Energy: 2.2942169441407145
Energy: 2.296099096718788
Energy: 1.5886790197637477
Energy: 1.6080035789759362
Energy: 0.905662635345164
Energy: 0.8947843850538366
Energy: 0.8924380218268554
Energy: 0.890055212922871
Energy: 0.8894617241853783
Energy: 0.8917600958113985
Energy: 0.8892749024342819
Energy: 1.605948445229995
Energy: 1.607239782490505
Energy: 1.6067844879115798
Energy: 2.2950639176276835
Energy: 2.2948955521699963
Energy: 2.295978924387333
Energy: 1.605470392266701

minimum gb energy = 0.8890850627519803 eV
minimum distance =  2.64864097712581 Angstroms
sigma value = 23