Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645762205124
cohesive_energy=4.2905471300555265
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.31359112479502e-19, 3.0632015065445995e-19, 3.62521302621912e-19, 4.08149690981598e-19, 4.466227584938399e-19, 4.79762179991496e-19, 5.086830704118299e-19, 5.3413364624292e-19, 5.56642625773986e-19, 5.76580111807482e-19, 5.942585287870379e-19, 6.09914998854486e-19, 6.2374338538253995e-19, 6.35899099504698e-19, 6.465183262348499e-19, 6.557116157607419e-19, 6.635750986804139e-19, 6.701952925321019e-19, 6.75642693087702e-19, 6.79986193942476e-19, 6.8328026910198e-19, 6.85577790395136e-19, 6.86926823120964e-19, 6.87367421695314e-19, 6.868915752350159e-19, 6.853454747832059e-19, 6.825304504372679e-19, 6.782045735254679e-19, 6.72082656606954e-19, 6.638122208222459e-19, 6.529718937166019e-19, 6.39047376590508e-19, 6.21402605320266e-19, 5.99257319885118e-19, 5.71635794714958e-19, 5.3732037556794595e-19, 4.947665641689059e-19, 4.42010091964554e-19, 3.7651631551990193e-19, 2.94983148792276e-19, 1.93067090926902e-19, 6.49483955184384e-20, -9.72639777908916e-20, -3.04471238818824e-19, -5.72007499694046e-19, -9.21983759271738e-19, -1.387053979529454e-18, -2.01696414277626e-18, -2.89026256067064e-18, -4.1364195248295e-18, -5.980444721731799e-18, -8.840153773992059e-18, -1.356112744373646e-17, -2.20654970387748e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014918056139291735
Energy: 0.10871083724162267
Energy: 0.09624041535459493
Energy: 0.09604289794628769
Energy: 0.11029220584099743
Energy: 0.10908022858760613
Energy: 0.10882686707882995
Energy: 0.09525229849803676
Energy: 0.0952133668155285
Energy: 0.017623805014554697
Energy: 0.09523078517594459
Energy: 0.09468341254437343
Energy: 0.10946951312812694
Energy: 0.01565370792797655
Energy: 0.016310806694997865
Energy: 0.09515211386451398
Energy: 0.09481240833003869
Energy: 0.10881324466693602
Energy: 0.09466453418623415
Energy: 0.10965280546124687
Energy: 0.09537444126266319
Energy: 0.09488127865959535
Energy: 0.10863596353931845
Energy: 0.015237907470629482
Energy: 0.09608553830109796
Energy: 0.10871192829980184
Energy: 0.015384271712959708
Energy: 0.015287030694451066
Energy: 0.10892717176059913
Energy: 0.09621356905768094
Energy: 0.016573072474443482
Energy: 0.10902812183060699
Energy: 0.09483823780876098
Energy: 0.09532861525460286
Energy: 0.0950141580550376
Energy: 0.11020860012721885
Energy: 0.016075621289681014
Energy: 0.015509924320344877
Energy: 0.09506575333101416
Energy: 0.015181104154763665
Energy: 0.01681472586333085
Energy: 0.09676557502856668
Energy: 0.09509542211228494
Energy: 0.01580807956417721
Energy: 0.01516174942906483
Energy: 0.09476282227342751
Energy: 0.09528472936699278
Energy: 0.09632815735178717
Energy: 0.09475599877757479
Energy: 0.015108927617608148
Energy: 0.09498801701368642
Energy: 0.0984218352653629
Energy: 0.11016396276038731
Energy: 0.015361717416771527
Energy: 0.015147088419536237
Energy: 0.09556947187983386
Energy: 0.015505424414865056
Energy: 0.016919934257629627
Energy: 0.10963867177442035
Energy: 0.09513591445730904
Energy: 0.015138629207945342
Energy: 0.10894341270050055
Energy: 0.09458116454023321
Energy: 0.10877553624592239
Energy: 0.09550715871152493
Energy: 0.10869592473732986
Energy: 0.015196662813804395
Energy: 0.01666801389820297
Energy: 0.108703786053942
Energy: 0.09512583058030927

minimum gb energy = 0.014918056139291735 eV
minimum distance =  2.47873420030343 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 1.2579853877392737
Energy: 1.248599260115408
Energy: 1.2390833283189808
Energy: 1.2954483887041275
Energy: 1.2601783212108228
Energy: 1.2681999455744444
Energy: 1.2769703912656418
Energy: 1.2154176334667326
Energy: 1.2968848595270792
Energy: 1.2388773631813617
Energy: 1.2470997112816822
Energy: 1.2755759902328287
Energy: 1.345203248973597
Energy: 1.2885003575819503
Energy: 1.2077479975135312
Energy: 1.2734942479269131
Energy: 1.267172863982039
Energy: 1.2546803592310216
Energy: 1.2945522152778695
Energy: 1.278742989351249
Energy: 1.217155089507566
Energy: 1.2960113298744387
Energy: 1.267051662302833
Energy: 1.2477100906653351
Energy: 1.2135002592099575
Energy: 1.345794627329807
Energy: 1.286711508617757
Energy: 1.2958435152714551
Energy: 1.2636337828655022
Energy: 1.3173548010055858
Energy: 1.2886928640962994
Energy: 1.2747363899623398
Energy: 1.2548066099969364
Energy: 1.207925084662431
Energy: 1.2467501883803978
Energy: 1.2910203179837076
Energy: 1.2443541463368764
Energy: 1.2422919670371133
Energy: 1.3469763420946699
Energy: 1.369784952480329
Energy: 1.2517721188884987
Energy: 1.3483378955954206
Energy: 1.2724847772852799
Energy: 1.2086295068399326
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Energy: 1.2691321856357614
Energy: 1.268835472485193
Energy: 1.2366877638469946
Energy: 1.2350037952499557
Energy: 1.255783787505947
Energy: 1.2422054442333295
Energy: 1.2093018463468812
Energy: 1.2099628986278863
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Energy: 1.3721012067825566
Energy: 1.2491565106026712
Energy: 1.2101950495747098
Energy: 1.2166368185672478
Energy: 1.2397331960408482
Energy: 1.2518844514693777
Energy: 1.2109444611334184
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Energy: 1.2101955744581554
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Energy: 1.217494852467114
Energy: 1.214548354283696
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Energy: 1.2127352588754436
Energy: 1.274379900377315
Energy: 1.2521319792489234
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Energy: 1.244839304437792
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Energy: 1.2064093518788472
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Energy: 1.290926070991065
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Energy: 1.311099134784934
Energy: 1.2132324905064018
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Energy: 1.310599321253469
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Energy: 1.208673093937184
Energy: 1.2544740588264165
Energy: 1.2938401681631904
Energy: 1.2143454386999113
Energy: 1.2396316069065618
Energy: 1.3025857701684889
Energy: 1.289014604116624
Energy: 1.2906690115306927
Energy: 1.2673126442716351
Energy: 1.2478527167786624
Energy: 1.3102893602547583
Energy: 1.3127549974991728
Energy: 1.2607656447247368
Energy: 1.2407977198794502
Energy: 1.238650269440252
Energy: 1.2956064553594742
Energy: 1.2101026893809133
Energy: 1.2686909507249464
Energy: 1.266694982693752
Energy: 1.2583842760686992
Energy: 1.2929128683506286
Energy: 1.2688079387397855
Energy: 1.2473529712583191
Energy: 1.3547334602047816
Energy: 1.362133234504056
Energy: 1.2879899310970073
Energy: 1.2131923396479614
Energy: 1.3464459462320186
Energy: 1.2422820595908135
Energy: 1.2898697948052065
Energy: 1.2922779816407153
Energy: 1.2415593865087957
Energy: 1.2163522370252218
Energy: 1.29120709686086
Energy: 1.2674548942585708
Energy: 1.2484686110790923
Energy: 1.248794036358364
Energy: 1.2368173275276113
Energy: 1.2938615366221984
Energy: 1.2381804370412741
Energy: 1.345593990452122
Energy: 1.2899517164093675
Energy: 1.2316977079456644
Energy: 1.2766415080351528
Energy: 1.2550921824616605
Energy: 1.2070764016395588
Energy: 1.2587487033180271
Energy: 1.2676057446456324
Energy: 1.2683408370086793
Energy: 1.27797276694594
Energy: 1.2149759200161214
Energy: 1.2714522064261793
Energy: 1.2528402675653278
Energy: 1.4408763709585442
Energy: 1.3676950426419472
Energy: 1.208392766283323
Energy: 1.2469986954748518
Energy: 1.2930391851337946
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Energy: 1.2137095564700628
Energy: 1.2149480637678294
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Energy: 1.2027185766701143
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Energy: 1.2391200558615243
Energy: 1.347099285429563
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Energy: 1.2161556046370012
Energy: 1.3297712981048515
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Energy: 1.2724655643790272
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Energy: 1.2081687738777254
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Energy: 1.2539159707566916
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Energy: 1.1971023548013795
Energy: 1.2702508893039075
Energy: 1.274901107713582
Energy: 1.2075968988842343
Energy: 1.2572178336634203
Energy: 1.210810915657495
Energy: 1.24377832669864
Energy: 1.2263118015769303
Energy: 1.2440760026759876
Energy: 1.244396022113885
Energy: 1.239515318091101
Energy: 1.2967510764539392
Energy: 1.252445536061282
Energy: 1.2109476646963873
Energy: 1.2548356067987039
Energy: 1.2719504455882025
Energy: 1.2020002517973856
Energy: 1.226088041425317
Energy: 1.1987151325061407
Energy: 1.2430619759218384
Energy: 1.2126442956983905
Energy: 1.2064002089708923
Energy: 1.2087889626594481
Energy: 1.271558705462593
Energy: 1.2076717779609132
Energy: 1.266565276915103
Energy: 1.2053930326660773
Energy: 1.2083834528674346
Energy: 1.2549955491764808
Energy: 1.2462018947276858
Energy: 1.208352458879424
Energy: 1.2432147072154938
Energy: 1.2543467740789862
Energy: 1.2451904817198431
Energy: 1.241325435879183
Energy: 1.2152247566360168
Energy: 1.3292956553491355
Energy: 1.2123137375624837
Energy: 1.2950980700531252
Energy: 1.2191674812246163
Energy: 1.2586647055105655
Energy: 1.247272230560851
Energy: 1.2548578019070775
Energy: 1.2417281680902397
Energy: 1.2133970805660528
Energy: 1.2084655400113715
Energy: 1.2731534353036285
Energy: 1.2482272231050895
Energy: 1.2587174053984367
Energy: 1.2602174902129022
Energy: 1.242045884793931
Energy: 1.213104919569294
Energy: 1.1943589117102091
Energy: 1.312721528711373
Energy: 1.2719758295925727
Energy: 1.267671902450173
Energy: 1.2681822910729785
Energy: 1.2464139873427615
Energy: 1.209050092921642
Energy: 1.2395038940784522
Energy: 1.2944030930512742
Energy: 1.2372048933680662
Energy: 1.2406279217143004
Energy: 1.3999030498976288
Energy: 1.213147855648645
Energy: 1.313590580568572
Energy: 1.3128224781608089
Energy: 1.2973383274708064
Energy: 1.2437697764352873
Energy: 1.4127228868743908
Energy: 1.2644489407839845
Energy: 1.2140225833731615
Energy: 1.2441240514471625
Energy: 1.2777001617985877
Energy: 1.2907053818620373
Energy: 1.2707119673276344
Energy: 1.27167569535009
Energy: 1.2090359543667941
Energy: 1.2152836171172816

minimum gb energy = 1.1943589117102091 eV
minimum distance =  2.26723702077244 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 1.3003289842187795
Energy: 1.266140039826108
Energy: 1.1870364798225135
Energy: 1.2760698816789717
Energy: 1.2494408556743928
Energy: 1.2408460278070255
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Energy: 1.2692686259988304
Energy: 1.2633208703452417
Energy: 1.267533407157694
Energy: 1.2680748949252025
Energy: 1.2248485282994281
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Energy: 1.4110236013685664
Energy: 1.3195459804422296
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Energy: 1.2719703209828286
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Energy: 1.303388255861537
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Energy: 1.2436339956210547
Energy: 1.2427661375979657
Energy: 1.2926808274687787
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Energy: 1.2431185133018499
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Energy: 1.2958688944167933
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Energy: 1.268298876429553
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Energy: 1.312527042553943
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Energy: 1.3567554705844502
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Energy: 1.2716793398168997
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Energy: 1.1988086452815347
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Energy: 1.2435466700405484
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Energy: 1.3197561229428636
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Energy: 1.2394729365158055
Energy: 1.2932272435065812
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Energy: 1.2558111964485423
Energy: 1.1974022774518114
Energy: 1.238790359894179
Energy: 1.2494774483911355
Energy: 1.2611173079822713
Energy: 1.2597700723577692
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Energy: 1.2407581009045094
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Energy: 1.2612901413071582
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Energy: 1.319632443359056
Energy: 1.3135185727520393
Energy: 1.268109567210889
Energy: 1.2090176030256268
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minimum gb energy = 1.181662710436458 eV
minimum distance =  2.26172870040231 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.4537609705370989
Energy: 1.3381301901431484
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Energy: 1.403176904253064
Energy: 1.4089766347433317
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Energy: 1.2200292840463312
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Energy: 1.2259688791610215
Energy: 1.2721126217081098
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Energy: 1.2062192448734679
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Energy: 1.1578788050451811
Energy: 1.2200824389582992
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Energy: 1.2381889647799376
Energy: 1.1677365753982425
Energy: 1.1530227516103406
Energy: 1.179898222422457
Energy: 1.149116987794514
Energy: 1.1710542026601454
Energy: 1.2254105636420185
Energy: 1.2416783624758176
Energy: 1.2366795845630316
Energy: 1.2208506111267723
Energy: 1.2190475795999813
Energy: 1.385463315754091
Energy: 1.1671917277116
Energy: 1.229534394243321
Energy: 1.2293001108359067
Energy: 1.1804348167280778
Energy: 1.2010448934618063
Energy: 1.1755432280544367
Energy: 1.2118068891110245
Energy: 1.2397002827949881
Energy: 1.385201296858203
Energy: 1.274028814962726
Energy: 1.2600502846360937
Energy: 1.1629484528896377
Energy: 1.4059532931513286
Energy: 1.3688724781799069
Energy: 1.080516568291861
Energy: 1.1516112148400799
Energy: 1.1117250124535696
Energy: 1.215610909365293
Energy: 1.1497930194357502
Energy: 1.1133804177712197
Energy: 1.2140211649375048
Energy: 1.177124805860874
Energy: 1.175913937858964
Energy: 1.1590250271100244
Energy: 1.215984670778762
Energy: 1.229253579384239
Energy: 1.155533273620642

minimum gb energy = 1.078904776076497 eV
minimum distance =  2.28252145247133 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.3605949041215526
Energy: 1.1982799134170274
Energy: 1.2059415813889152
Energy: 1.2294929882797592
Energy: 1.217904637495973
Energy: 1.2044641975407153
Energy: 1.2060470096080191
Energy: 1.2046431407311524
Energy: 1.2057309915804941
Energy: 1.1909579574149147
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Energy: 1.205290671235298
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Energy: 1.2051917266232006
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Energy: 1.1974886063710204
Energy: 1.2215366614384813
Energy: 1.2338816630998137
Energy: 1.219562000529709
Energy: 1.2199464842419319
Energy: 1.2107487982532699
Energy: 1.2160097291431244
Energy: 1.206100032885695
Energy: 1.2046344326754057
Energy: 1.2046727377708484
Energy: 1.21331246987471
Energy: 1.213369232957226
Energy: 1.233603230799009
Energy: 1.2200448082518558
Energy: 1.2114316907250753
Energy: 1.20465456191447
Energy: 1.2034582894551151
Energy: 1.2034611810610532
Energy: 1.2194420245701179
Energy: 1.2112614689915722
Energy: 1.2112221383880049
Energy: 1.1976692201237205
Energy: 1.2155166035786134
Energy: 1.2762907626361677
Energy: 1.215442472136401
Energy: 1.2062772457686972
Energy: 1.2045129445156952
Energy: 1.207318234323263
Energy: 1.1898444970255913
Energy: 1.2159388659395558
Energy: 1.2381867109453346
Energy: 1.2298460022940543
Energy: 1.2124496830902265
Energy: 1.2739222085729858
Energy: 1.1888916586872873
Energy: 1.189020374917501
Energy: 1.2745187080778835
Energy: 1.2043494034765658

minimum gb energy = 1.1885378682825798 eV
minimum distance =  2.27677796600896 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.702317215710005
Energy: 1.1692094117972032
Energy: 1.331573664558099
Energy: 1.1317858915622572
Energy: 1.1359314010624755
Energy: 1.309386095052581
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Energy: 1.1316077464553167
Energy: 1.131661813560452
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Energy: 1.3223500483573094
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Energy: 1.1540234805655551
Energy: 1.1529151567159008
Energy: 1.1365306768499768
Energy: 1.1322090975790924
Energy: 1.130470367841783
Energy: 1.1355822054593703
Energy: 1.2157544433668277
Energy: 1.1352208110164725
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Energy: 1.1324317973617044
Energy: 1.1874092089617194
Energy: 1.1507693520506985
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Energy: 1.3733288056512265
Energy: 1.1234425646918653
Energy: 1.0771912257395513
Energy: 1.2815595807142746
Energy: 1.2669688837655362
Energy: 1.2194324656800304
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Energy: 1.3221870005560743
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Energy: 1.2485360505514866
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Energy: 1.2285678465762488
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Energy: 1.1434767503788235
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Energy: 1.3116753320246304
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Energy: 1.3255730772674015
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Energy: 1.1211030146726129
Energy: 1.35882489495575
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Energy: 1.2053585057019938
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Energy: 1.2251800443887948
Energy: 1.2171066390721152
Energy: 1.2948881292956955
Energy: 1.1195041416429692
Energy: 1.1218653715569105
Energy: 1.192285363125928
Energy: 1.3587283617435133
Energy: 1.1419026477533276
Energy: 1.2435770588260928
Energy: 1.213918611672538
Energy: 1.3613059741766533
Energy: 1.1528322564278075
Energy: 1.1435732018765512
Energy: 1.1197480590980464
Energy: 1.137803637695224
Energy: 1.3051977186202892
Energy: 1.1447201786976149
Energy: 1.143364643897247
Energy: 1.1510399685893988
Energy: 1.124632151083988
Energy: 1.2905086237184906
Energy: 1.2386316443488952
Energy: 1.3917184279392774
Energy: 1.1420464057794706
Energy: 1.1432111057563716
Energy: 1.1452083092633483
Energy: 1.1450525667965212
Energy: 1.1224442997904518
Energy: 1.1477495943565126
Energy: 1.1512492958460097
Energy: 1.2907797790159996
Energy: 1.2739640518509379
Energy: 1.2342939702108764
Energy: 1.3128741986022712
Energy: 1.3049009093312902
Energy: 1.141401862116446
Energy: 1.144861222450876
Energy: 1.1499848681707696
Energy: 1.1478369906840655
Energy: 1.2913296297296821
Energy: 1.150931039145931
Energy: 1.1606416333219207
Energy: 1.1352593409814373
Energy: 1.4318858956614422
Energy: 1.310664576680795
Energy: 1.1439390535107339
Energy: 1.1330014162359467
Energy: 1.3086572185192589
Energy: 1.2817359910356803
Energy: 1.156049253779299
Energy: 1.1351438052624503
Energy: 1.1371572573840765
Energy: 1.4230869816232408
Energy: 1.135722304842655
Energy: 1.2342229047547328
Energy: 1.2643367322280004

minimum gb energy = 1.076159942343384 eV
minimum distance =  2.26574985497301 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 1.231708981632649
Energy: 1.3622887372627048
Energy: 1.231894626296608
Energy: 1.3051832169045092
Energy: 1.4147501253727226
Energy: 1.4446224956789113
Energy: 1.3584394316467117
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Energy: 1.3463587305325664
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Energy: 1.3234446135973008
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Energy: 1.4481176136703562
Energy: 1.3605474364334862
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Energy: 1.3052759292579073
Energy: 1.3488384611141884
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Energy: 1.1978095469709538
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Energy: 1.329024197038861
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Energy: 1.3818929466346714
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Energy: 1.4406216734624706
Energy: 1.4519899707288972
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Energy: 1.3319074109947173
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Energy: 1.3136471610989482
Energy: 1.2744368633392866
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Energy: 1.1590698997135707
Energy: 1.202034978117481
Energy: 1.1603285222427064
Energy: 1.1479466013676125
Energy: 1.1262224446294324
Energy: 1.3334977642867685
Energy: 1.3641698001700837
Energy: 1.421663809254983
Energy: 1.2749344046099267
Energy: 1.1756695076198012
Energy: 1.4125401540974338
Energy: 1.4038681699096558
Energy: 1.1867579531040144
Energy: 1.4221819469049841
Energy: 1.310433278506834
Energy: 1.3770122073200437
Energy: 1.1668235277541548
Energy: 1.1627545577450231
Energy: 1.242850413828457
Energy: 1.1708117003472396
Energy: 1.3900854842723993
Energy: 1.404673957151233
Energy: 1.4334785319180003
Energy: 1.1936166277763363
Energy: 1.1957567378565113
Energy: 1.3184291444920884
Energy: 1.4347484028804618
Energy: 1.2336143250425793
Energy: 1.2963411372464198
Energy: 1.3214594501069332
Energy: 1.1841438162330045
Energy: 1.2035479914058032
Energy: 1.2034131929750236
Energy: 1.195910139281525
Energy: 1.221383846115933
Energy: 1.2219499452069036
Energy: 1.2991799828878319
Energy: 1.2311413682875123
Energy: 1.2596845002641377
Energy: 1.42195811797645
Energy: 1.4055419396260878
Energy: 1.4068228685341237
Energy: 1.3467949629849967
Energy: 1.3468673197701966
Energy: 1.3402409877344563
Energy: 1.2214056953665577
Energy: 1.2250377730596276
Energy: 1.2217018180135546
Energy: 1.237786296575431
Energy: 1.2004810744338996
Energy: 1.2069960664183377
Energy: 1.40536395236512
Energy: 1.407565854554434
Energy: 1.3767212785496865
Energy: 1.4325272331839791
Energy: 1.4333591054552899
Energy: 1.2321366270784706
Energy: 1.293190748026353
Energy: 1.2770001052438178
Energy: 1.25634582673713
Energy: 1.2010435440691414
Energy: 1.235313279985288
Energy: 1.1536053051666448

minimum gb energy = 1.1262224446294324 eV
minimum distance =  2.25813182351923 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.3688363187729151
Energy: 1.2026664589448075
Energy: 1.2595391098457243
Energy: 1.18687374743694
Energy: 1.2413376665970868
Energy: 1.3610852203633872
Energy: 1.3547458125733256
Energy: 1.2046562358520565
Energy: 1.2737951248157287
Energy: 1.185475973606864
Energy: 1.1929521511359436
Energy: 1.3438044111736744
Energy: 1.2868557882233138
Energy: 1.2378710119133849
Energy: 1.2373686545733122
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Energy: 1.1979748366470537
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Energy: 1.2137352142874132
Energy: 1.2206124200262365
Energy: 1.1508427469595897
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Energy: 1.207715248209732
Energy: 1.3171938147242008
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Energy: 1.1928001060117117
Energy: 1.189240329214222
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Energy: 1.2136231171182084
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Energy: 1.364023723575001
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Energy: 1.2137197447825014
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Energy: 1.1823094293816718
Energy: 1.1967118460357018
Energy: 1.1504997036083904
Energy: 1.3067715121524375
Energy: 1.210748054695736
Energy: 1.3005526750283662
Energy: 1.199228799448533
Energy: 1.155512284415978
Energy: 1.1727676253791317
Energy: 1.1721283287013637
Energy: 1.2436885090686167
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Energy: 1.200506143201173
Energy: 1.279110333668433
Energy: 1.2069585839380774
Energy: 1.2712413493881372
Energy: 1.2154120700448907
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Energy: 1.298182648886386
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Energy: 1.2264572656377495
Energy: 1.3652386382785242
Energy: 1.3665893246603367
Energy: 1.3165549311493654
Energy: 1.2436158772345425
Energy: 1.1811338276406576
Energy: 1.183022253123469
Energy: 1.3037305687065595
Energy: 1.3150834425295541
Energy: 1.2372436599134864
Energy: 1.2376197277267973
Energy: 1.3028611953419238
Energy: 1.1632786031791227
Energy: 1.180897425511734
Energy: 1.192969346713841
Energy: 1.1808323568714356
Energy: 1.2016727254323682
Energy: 1.1779238669087493
Energy: 1.2794992400671745
Energy: 1.216281777643272
Energy: 1.2623919663561656
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Energy: 1.1752662721847473
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Energy: 1.1834258938543447
Energy: 1.205877499998791
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Energy: 1.174100549656989
Energy: 1.192993242634416
Energy: 1.174676998443862
Energy: 1.2148141036096047
Energy: 1.1852374480196926
Energy: 1.2144542264695948
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Energy: 1.178250304865558
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Energy: 1.2128774700530889
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Energy: 1.3340495655974574
Energy: 1.258825331636523
Energy: 1.2864554581472947
Energy: 1.184940880080822

minimum gb energy = 1.1361545052661028 eV
minimum distance =  2.26707493225597 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 2.1508610689893786
Energy: 1.1335229408752219
Energy: 1.1375430127403037
Energy: 1.1331605278836578
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Energy: 1.2326751535199507
Energy: 1.0958477476815216
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Energy: 1.1308676279345462
Energy: 1.0958844940167998
Energy: 1.0959879661909167
Energy: 1.1338716632200638
Energy: 1.1455148819295093

minimum gb energy = 1.0958477476815216 eV
minimum distance =  2.31386536769606 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.535291545815465
Energy: 1.343378755029611
Energy: 1.3529776766327823
Energy: 1.3176721864628287
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Energy: 1.3870518486413381
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Energy: 1.3301232607727067
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Energy: 1.3633232289382229
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Energy: 1.3311220833755855
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Energy: 1.4864228183728485
Energy: 1.4292737106669064
Energy: 1.4325052133925924
Energy: 1.3278105304126402
Energy: 1.3618872992182813
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minimum gb energy = 1.2939089164484572 eV
minimum distance =  2.25771647479281 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.3246985629460621
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Energy: 1.37580188100982
Energy: 1.3416121087894441
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Energy: 1.3777641480075407
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Energy: 1.4611178631910713
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Energy: 1.378397667791144
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Energy: 1.3391507451231885
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Energy: 1.3200319226561827
Energy: 1.3497242832609366
Energy: 1.3473122768887502
Energy: 1.3477747228549941
Energy: 1.3681645340383293
Energy: 1.3338957058040217
Energy: 1.4500697397244944
Energy: 1.4996188735265026
Energy: 1.3300621698587027
Energy: 1.3500210072301968
Energy: 1.3669151146220113
Energy: 1.3617130456677984
Energy: 1.3675348054976941
Energy: 1.3708536902196762
Energy: 1.3659970863041815
Energy: 1.3588611320860386
Energy: 1.4506982781689894
Energy: 1.4521446072112656
Energy: 1.3077737380379293
Energy: 1.3544024607426088
Energy: 1.3582192954676833
Energy: 1.4510533473212703
Energy: 1.3351163618911923
Energy: 1.3347648177994471
Energy: 1.3512186182342667
Energy: 1.369748026104384
Energy: 1.3694475688077037
Energy: 1.3632343635884832
Energy: 1.3291794538094523
Energy: 1.3644549004589215
Energy: 1.4374941832250523
Energy: 1.3629523778146075
Energy: 1.332129647926508
Energy: 1.36170799936751
Energy: 1.3439638903196622
Energy: 1.4001828128392748
Energy: 1.4252291886026485
Energy: 1.2905758028316197
Energy: 1.3064087705829581
Energy: 1.3604818780420076
Energy: 1.3625587079633699
Energy: 1.3566583045850382
Energy: 1.3382307217430502
Energy: 1.3423086967592512
Energy: 1.3321766535652797
Energy: 1.332568376960988
Energy: 1.3109999561836632
Energy: 1.2910863994052109
Energy: 1.3309470734827242
Energy: 1.3135252675611084
Energy: 1.327754109684442
Energy: 1.4362308177015841
Energy: 1.4260183157877655
Energy: 1.4995384676655314
Energy: 1.3983439419152566
Energy: 1.3466622961312718
Energy: 1.3094755898111328
Energy: 1.3113060438715047
Energy: 1.3306698695311925
Energy: 1.3543097804525608
Energy: 1.3447441834144296
Energy: 1.449823431066606
Energy: 1.3783316692530794
Energy: 1.2934649718823272
Energy: 1.3343372885945868
Energy: 1.4205838549856264
Energy: 1.310105672496259
Energy: 1.296070088421336
Energy: 1.306941098186381
Energy: 1.3562788114884363
Energy: 1.33252222225416
Energy: 1.3656487164142372
Energy: 1.3320933324160977

minimum gb energy = 1.2875939635471234 eV
minimum distance =  2.26539152121663 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.710106616561634
Energy: 1.209322806769314
Energy: 1.2084669047884866
Energy: 1.2091005033707192
Energy: 1.208053739063308
Energy: 1.3720332453613096
Energy: 1.208861337193384
Energy: 1.2089426995837063
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Energy: 1.1193022681326572
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Energy: 1.2081663290930102
Energy: 1.3344104711850349
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Energy: 1.2083645815907897
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Energy: 1.3967153498384701
Energy: 1.3251276006132837
Energy: 1.2106469726900768
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Energy: 1.1202946328286496
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Energy: 1.3267191173146489
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Energy: 1.2086709358876921
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Energy: 1.2069291285043744
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Energy: 1.2090480300658204
Energy: 1.1194436153470713
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Energy: 1.20783256103494
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Energy: 1.208834634019009
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Energy: 1.202856203403615
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Energy: 1.2082823713269744
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Energy: 1.3335442289829222
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Energy: 1.3960991538500445
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Energy: 1.2063480793307546
Energy: 1.2085903749397033
Energy: 1.1193144608066636
Energy: 1.208359973833965
Energy: 1.2069182084633747
Energy: 1.1211165846572044
Energy: 1.1190015430410376
Energy: 1.3283244748065552
Energy: 1.4234317014148523
Energy: 1.1886346303525543
Energy: 1.3372276558231109
Energy: 1.207984163856552
Energy: 1.2067182668912046
Energy: 1.210362926548713
Energy: 1.3378734250811744
Energy: 1.5048040194054118
Energy: 1.118208866491526
Energy: 1.2051879883843213
Energy: 1.2096139530598515
Energy: 1.3947103168214976
Energy: 1.2093299707125342
Energy: 1.2080720960080422
Energy: 1.2078543239086643
Energy: 1.2095398802610484
Energy: 1.2089096251352993
Energy: 1.207039886042191
Energy: 1.395736485236388
Energy: 1.3696881334277662
Energy: 1.2094680919586416
Energy: 1.3935014031953075
Energy: 1.3974910133473357
Energy: 1.3281382942289341
Energy: 1.2079795561041309
Energy: 1.2045882773071588
Energy: 1.207795172641653
Energy: 1.3248155913893223
Energy: 1.3387988185357296
Energy: 1.2074423129306822
Energy: 1.2074603000559458
Energy: 1.209803150627119
Energy: 1.3301212626455368
Energy: 1.2097396200324
Energy: 1.3399777781486872
Energy: 1.367819983381272
Energy: 1.2089102981828486
Energy: 1.209339589057387
Energy: 1.2086965672527306
Energy: 1.1190522459362413
Energy: 1.5022736789777769
Energy: 1.207939196913525
Energy: 1.2095513660063355
Energy: 1.3128310852905352
Energy: 1.2071240172345836
Energy: 1.2023486470590894
Energy: 1.2078106789073106
Energy: 1.3719771581412064
Energy: 1.3377596486169632
Energy: 1.119979520648919
Energy: 1.2083351840688819
Energy: 1.3717235345875551
Energy: 1.2084693823190793
Energy: 1.208352127465702
Energy: 1.3930061566467207
Energy: 1.3286060531261648
Energy: 1.2085920602096354
Energy: 1.2100396784599707
Energy: 1.2105564331044918
Energy: 1.20551801526534
Energy: 1.4199394095312443
Energy: 1.1199226916884315
Energy: 1.2090815144214215
Energy: 1.4240538145022519
Energy: 1.3952932984557755
Energy: 1.2071626116205807
Energy: 1.204109930769316
Energy: 1.207962877246322
Energy: 1.3314609722117703
Energy: 1.2087876437314067
Energy: 1.2083109189920203

minimum gb energy = 1.1146162966947288 eV
minimum distance =  2.35898482927273 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.4604348638216265
Energy: 1.2880036987510735
Energy: 1.2876740514815321
Energy: 1.3049950454271284
Energy: 1.273326634949679
Energy: 1.2645841231313595
Energy: 1.2692425108390848
Energy: 1.2695142794639112
Energy: 1.2875043952831806
Energy: 1.2679750864653228
Energy: 1.340652861728552
Energy: 1.4007620384967776
Energy: 1.2996618230905803
Energy: 1.2729589503005179
Energy: 1.231842558831507
Energy: 1.2911912690105725
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Energy: 1.34066009593666
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Energy: 1.4302020341132475
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Energy: 1.2744607167162911
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Energy: 1.365736442965001
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Energy: 1.2949471512818351
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Energy: 1.2994247684905427
Energy: 1.2751157637267299
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Energy: 1.30586337454598
Energy: 1.3345334213209026
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Energy: 1.3096562617058434
Energy: 1.3911882149976442
Energy: 1.3983486696240026
Energy: 1.3954079985931935
Energy: 1.273095637423651
Energy: 1.2930142980652157
Energy: 1.3591861101212395
Energy: 1.3032094500533558
Energy: 1.2682243775904405
Energy: 1.2688735893677152
Energy: 1.303087689037282
Energy: 1.393094979020623
Energy: 1.339377656093384
Energy: 1.3916962750840771
Energy: 1.291279685579408
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Energy: 1.274735138969635
Energy: 1.2908650912674298
Energy: 1.26175585055292
Energy: 1.2720285396272768
Energy: 1.2907421106522456
Energy: 1.2702347019471838
Energy: 1.3252665539451218
Energy: 1.2876184680738327
Energy: 1.2892380220917796
Energy: 1.3023345436497042
Energy: 1.2734369548678002
Energy: 1.2910739789719348
Energy: 1.2621998455681986
Energy: 1.2685729359095348
Energy: 1.2689835552392
Energy: 1.3894584322788217
Energy: 1.2788800893303012
Energy: 1.3329443006408546
Energy: 1.2972228671719364
Energy: 1.2596629884336559
Energy: 1.235096042950099
Energy: 1.2868692076544088
Energy: 1.2676607139195275
Energy: 1.2615812891603762
Energy: 1.32846918129028
Energy: 1.3945132853211424
Energy: 1.434606672471383
Energy: 1.3723045577737143
Energy: 1.3659212343164466
Energy: 1.2734794015914193
Energy: 1.2911064624835034
Energy: 1.2865739752135086
Energy: 1.3419285541142463
Energy: 1.2781569391191483
Energy: 1.2565857267917049
Energy: 1.3312047638745304
Energy: 1.263594065376478
Energy: 1.3946294484067112
Energy: 1.3995240147290255
Energy: 1.32043109807599
Energy: 1.319323527753869
Energy: 1.2904934467631832
Energy: 1.3223453240238885
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Energy: 1.3481683896064813
Energy: 1.262008037620345
Energy: 1.2669703836469053
Energy: 1.2895630094520418
Energy: 1.263750467989835
Energy: 1.2787079852576542
Energy: 1.3032010245383938
Energy: 1.2897413569888636
Energy: 1.3093183908401427
Energy: 1.3114133566272326
Energy: 1.3475052115924313
Energy: 1.3499699684816064
Energy: 1.3217195853201928
Energy: 1.3860077344074866
Energy: 1.3515469021104556
Energy: 1.3877327420008219
Energy: 1.4099109655610593
Energy: 1.2876488803319004
Energy: 1.2881342601510763
Energy: 1.3969637660085117
Energy: 1.2861013422082368
Energy: 1.3477192189429181
Energy: 1.3497095837500042
Energy: 1.2996770259373325
Energy: 1.3493382303225574
Energy: 1.3461140892328356
Energy: 1.3869756994692344
Energy: 1.2865932130722653
Energy: 1.3098789866312919
Energy: 1.308858845669307
Energy: 1.285676762656779
Energy: 1.2908772328695854
Energy: 1.2398082676330928
Energy: 1.2744515607416873
Energy: 1.2752381604423413
Energy: 1.2605997847126087
Energy: 1.2982921848134208
Energy: 1.288354745680762
Energy: 1.287480645330983
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Energy: 1.3259250370106488
Energy: 1.3856798581879328
Energy: 1.3426596642048174
Energy: 1.3485382529570105
Energy: 1.358559695666402
Energy: 1.3453899289251303
Energy: 1.284799207093243
Energy: 1.3457245281648809
Energy: 1.3085994218153838
Energy: 1.3109620722593858
Energy: 1.2886547944770452
Energy: 1.306122774411297
Energy: 1.3407418307466836
Energy: 1.351273552610646
Energy: 1.3454045116208535
Energy: 1.343890062777652
Energy: 1.3511152030280233
Energy: 1.3579681598285518
Energy: 1.3344239990330122
Energy: 1.2793755962333393
Energy: 1.2919230257098113
Energy: 1.3027803774481623
Energy: 1.2783146529325597
Energy: 1.265606441157106
Energy: 1.3282982160194448
Energy: 1.2626134161531557
Energy: 1.2958085530458188
Energy: 1.2984402713345493
Energy: 1.2627809049912668
Energy: 1.2990827312668396
Energy: 1.2880583014525588
Energy: 1.3195490833887438
Energy: 1.2638057324059622
Energy: 1.3964625592824087
Energy: 1.4121021249220493
Energy: 1.2788188182606535
Energy: 1.2640479338840402
Energy: 1.328838511108142
Energy: 1.2637969958519626
Energy: 1.2699902575751518
Energy: 1.3170467157180072
Energy: 1.2920712835787709
Energy: 1.2737256035134905
Energy: 1.3868184882916967
Energy: 1.3350073563722282
Energy: 1.428826717886277
Energy: 1.3754618243630006
Energy: 1.3296297590361157
Energy: 1.2679518869617696
Energy: 1.2628521950589529
Energy: 1.2914773067528087
Energy: 1.2866622738188611
Energy: 1.2628314034242598
Energy: 1.295596544137329
Energy: 1.3618452520782478
Energy: 1.3428129883767468
Energy: 1.3900379144747106
Energy: 1.2889001318945625
Energy: 1.2687808244456789
Energy: 1.2684859596279996
Energy: 1.3363356919946185
Energy: 1.2599039317044647
Energy: 1.3050698456490553
Energy: 1.2458246472337933
Energy: 1.2915178043451307
Energy: 1.2615249300737839
Energy: 1.2650596473287907
Energy: 1.3142020581203302
Energy: 1.2949225818931904
Energy: 1.279776228406895
Energy: 1.3029723353477694
Energy: 1.2755001609571994
Energy: 1.2730295383311905
Energy: 1.2919086451336548
Energy: 1.3903550813015764
Energy: 1.3462686994650284
Energy: 1.4284578021707692
Energy: 1.312462124083607
Energy: 1.309554463224239
Energy: 1.2623436020181313
Energy: 1.3044548159964657
Energy: 1.360117444823093
Energy: 1.280793068081433
Energy: 1.273506132816426
Energy: 1.3940891832610856
Energy: 1.3403828229416483
Energy: 1.3725923279966235
Energy: 1.3557514324334508
Energy: 1.309506589204644
Energy: 1.3613358839826506
Energy: 1.3027865198689443
Energy: 1.3056018069907285
Energy: 1.2912675860335907
Energy: 1.2413347591709423
Energy: 1.308118251488788
Energy: 1.2934958856583394
Energy: 1.3885368284817587
Energy: 1.328933900344695
Energy: 1.274821177227093
Energy: 1.2724182027225455
Energy: 1.3081897727056453
Energy: 1.3049707357996703
Energy: 1.3695618108903287
Energy: 1.3947052923103023
Energy: 1.273626413536162
Energy: 1.2832471949961939
Energy: 1.3235677226872535
Energy: 1.2902581419920645
Energy: 1.3900371694651297
Energy: 1.3906688024035438
Energy: 1.3030978005085458
Energy: 1.29944496452182
Energy: 1.303063662492243
Energy: 1.392344488516462
Energy: 1.3908247994965726
Energy: 1.3264230217500252
Energy: 1.4011357380192804
Energy: 1.280378315708169
Energy: 1.3165371804518209
Energy: 1.389074932602636
Energy: 1.3414304810789772
Energy: 1.3247679661808844
Energy: 1.3035307517850052
Energy: 1.2936465849676417
Energy: 1.2941175494261854
Energy: 1.3365618065369371
Energy: 1.3566753115169985
Energy: 1.272489142826069
Energy: 1.2567139682194928
Energy: 1.3638531777887541
Energy: 1.29461834073815
Energy: 1.3276516714732691
Energy: 1.3029781170933517
Energy: 1.2693349756384178
Energy: 1.2703708106831846
Energy: 1.4114889954840208
Energy: 1.2726736067408615
Energy: 1.3992743246012835
Energy: 1.3759226757957057
Energy: 1.273261242993287
Energy: 1.2691715444777567
Energy: 1.3573904821112746
Energy: 1.3602973505478393
Energy: 1.3641378963183641
Energy: 1.301562121366365
Energy: 1.3119108396502654
Energy: 1.3910209882631333
Energy: 1.3409071615526627
Energy: 1.3912421385803777
Energy: 1.2912876069689112
Energy: 1.2714573682015544
Energy: 1.2746523831238807
Energy: 1.3024265875362369
Energy: 1.2700289396507123
Energy: 1.2683048557397847
Energy: 1.2896476461596782
Energy: 1.352362978206681
Energy: 1.3085601922193457
Energy: 1.3117320037745117
Energy: 1.3253477001785805
Energy: 1.2926142435768964
Energy: 1.272434708151994
Energy: 1.295181110366599
Energy: 1.262658596850751
Energy: 1.2797762445879866
Energy: 1.2911647397000445
Energy: 1.2703980875756793

minimum gb energy = 1.231842558831507 eV
minimum distance =  2.29188958215609 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.446125353059732
Energy: 1.1824732037970718
Energy: 1.183696610792656
Energy: 1.252143331480939
Energy: 1.2306598302349578
Energy: 1.242523042937382
Energy: 1.2805133379349167
Energy: 1.2290374725470246
Energy: 1.1817491103888795
Energy: 1.1490785078687638
Energy: 1.4156047521954882
Energy: 1.2633275218775113
Energy: 1.2955464263714342
Energy: 1.263800730183576
Energy: 1.2196594845705977
Energy: 1.181155240471906
Energy: 1.2298575488572634
Energy: 1.2545404370129567
Energy: 1.220637697089507
Energy: 1.268880174002352
Energy: 1.4135007994519533
Energy: 1.2509328368590011
Energy: 1.3949925711849964
Energy: 1.4158329959028402
Energy: 1.2290947457333832
Energy: 1.2256852812483219
Energy: 1.2301895201131694
Energy: 1.2272750228878109
Energy: 1.2532202863535193
Energy: 1.295269288170751
Energy: 1.2974344810533258
Energy: 1.2199150956724527
Energy: 1.2162847725533728
Energy: 1.2214529379075674
Energy: 1.2522907708587032
Energy: 1.2255785202230212
Energy: 1.1829533476189313
Energy: 1.1817524883175428
Energy: 1.150321568165614
Energy: 1.20155338670502
Energy: 1.2657377624091044
Energy: 1.2237818302617687
Energy: 1.1734598652618444
Energy: 1.2211230646106106
Energy: 1.1760609138221396
Energy: 1.183223106432453
Energy: 1.299244451780878
Energy: 1.2935189079028107
Energy: 1.39542092750464
Energy: 1.2649570189114738
Energy: 1.2537189879391537
Energy: 1.2659057757158694
Energy: 1.25269005179719
Energy: 1.4035144276604152
Energy: 1.2303184479582345
Energy: 1.226094145618764
Energy: 1.227878809107866
Energy: 1.2278808131162318
Energy: 1.412680802702461
Energy: 1.2495390892500424
Energy: 1.4442728723803002
Energy: 1.2203421134841814
Energy: 1.2646651743889932
Energy: 1.2525419624306584
Energy: 1.2681559382541647
Energy: 1.2271470293989433
Energy: 1.1789354049581184
Energy: 1.2297027770844713
Energy: 1.2976288808439338
Energy: 1.2186316667010795
Energy: 1.2333509967880858
Energy: 1.1821989374215809
Energy: 1.2229989998741049
Energy: 1.1787684721401501
Energy: 1.1846386432669276
Energy: 1.1830087504924751
Energy: 1.2274354399593035
Energy: 1.2282816864464585
Energy: 1.1842766279122097
Energy: 1.17966289465163
Energy: 1.4144863508916434
Energy: 1.2551820775858185
Energy: 1.2257889007029055
Energy: 1.2172168081972645
Energy: 1.2219154549826106
Energy: 1.1814910812247112
Energy: 1.2545917088244372
Energy: 1.2296456733488443
Energy: 1.2524992715588077
Energy: 1.2635497763115617
Energy: 1.2278968005597202
Energy: 1.2533155309353476
Energy: 1.400442845714214
Energy: 1.2554495302631905
Energy: 1.2180665962980268
Energy: 1.256858862291837
Energy: 1.1821674866834289
Energy: 1.1823308192907518
Energy: 1.150141549018873
Energy: 1.1840391359983438
Energy: 1.221397787152673
Energy: 1.1748558269056997
Energy: 1.2229393865927045
Energy: 1.1821009970596155
Energy: 1.228091148383594
Energy: 1.2259846692047907
Energy: 1.181713155049218
Energy: 1.2967440872534008
Energy: 1.1503901608408704
Energy: 1.1792701156928238
Energy: 1.265043327236256
Energy: 1.2306138556700272
Energy: 1.2687350762450809
Energy: 1.2962849411255521
Energy: 1.3000909773771203
Energy: 1.1812197117408245
Energy: 1.2297342316139697
Energy: 1.2307395178252072
Energy: 1.4163909480137424
Energy: 1.2575381517458397
Energy: 1.2520006860370907
Energy: 1.394972072913627
Energy: 1.2543170856645327
Energy: 1.4115776616409994
Energy: 1.297629129158004
Energy: 1.22424568526297
Energy: 1.2285360593135928
Energy: 1.2292269791971404
Energy: 1.2276527805476882
Energy: 1.2580713954519631
Energy: 1.2369467682063575
Energy: 1.1823626230243223
Energy: 1.2208055758229182
Energy: 1.2545467598306783
Energy: 1.2297266974533188
Energy: 1.1828605071268543
Energy: 1.22834706772171
Energy: 1.1818856016804555
Energy: 1.1826006148021102
Energy: 1.149637538487951

minimum gb energy = 1.1490785078687638 eV
minimum distance =  2.29641310587305 Angstroms
sigma value = 33