Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_000
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=4.290547094706602
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.014950823421303997
Energy: 0.015332955195911822
Energy: 0.015241302829309886
Energy: 2.015282366159783
Energy: 0.015241303034248102
Energy: 0.015332765296559773
Energy: 0.014950823421068406
Energy: 0.015332844788844871
Energy: 0.01524130327900124
Energy: 1.526520322469426
Energy: 0.6970712077716176
Energy: 0.015720271809382094
Energy: 0.01712859977182661
Energy: 0.6927409379766929
Energy: 0.017128599772297796
Energy: 0.015699266058832685
Energy: 0.6970712077720626
Energy: 0.01570998483971058
Energy: 0.017128599772062207
Energy: 0.6927409379766929
Energy: 0.014950823421068406
Energy: 0.015332771585458914
Energy: 0.015241302729628608
Energy: 2.015282366159783
Energy: 0.015241302860172341
Energy: 0.015332774527888983
Energy: 0.014950823421303997
Energy: 0.01533281607438064
Energy: 0.01524130261494802
Energy: 1.5265203224691906
Energy: 0.6970712077720626
Energy: 0.015699847650477747
Energy: 0.01712859977182661
Energy: 0.6927409379769285
Energy: 0.01712859977182661
Energy: 0.015698708289704152
Energy: 0.697071207771382
Energy: 0.01569966242824036
Energy: 0.017128599772062207
Energy: 0.6927409379766929
Energy: 0.014950823420858992
Energy: 0.015332785283729203
Energy: 0.015241302751721834
Energy: 2.0152823661600188
Energy: 0.015241302634528272
Energy: 0.015332756294565562
Energy: 0.014950823421303997
Energy: 0.015332803755366263
Energy: 0.015241302921190476
Energy: 1.5265203224696353
Energy: 0.697071207771382
Energy: 0.015705808615569073
Energy: 0.01712859977182661
Energy: 0.6927409379766929
Energy: 0.017128599772062207
Energy: 0.015701167423238845
Energy: 0.6970712077722983
Energy: 0.015702123195678937
Energy: 0.017128599772062207
Energy: 0.6927409379766929
Energy: 0.014950823421068406
Energy: 0.015332773584293653
Energy: 0.015241302919122507
Energy: 1.9340112870109534
Energy: 0.01524130246529522
Energy: 0.015332759676739801
Energy: 0.014950823421303997
Energy: 0.015332751422616938
Energy: 0.015241302637512428
Energy: 1.526520322469426

minimum gb energy = 0.014950823420858992 eV
minimum distance =  2.3349699520146 Angstroms
sigma value = 3


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

Energy: 1.3729819833531147
Energy: 1.2166985789156575
Energy: 1.265321586899951
Energy: 1.3665739234838687
Energy: 1.2653477200610912
Energy: 1.2163123453968963
Energy: 1.3729819833525503
Energy: 1.2166985789134006
Energy: 1.2653215868988226
Energy: 1.3466997975354162
Energy: 1.2978311972708096
Energy: 1.266918756029682
Energy: 1.2918919840571856
Energy: 1.2969869979093678
Energy: 1.2644471326298903
Energy: 1.2553383293917366
Energy: 1.297831197273067
Energy: 1.2669187560308104
Energy: 1.2918919840566216
Energy: 1.2969869979099318
Energy: 1.3002524157867028
Energy: 1.2079489065954383
Energy: 1.224022420901043
Energy: 1.2343490343457417
Energy: 1.235530631863106
Energy: 1.2086715414780997
Energy: 1.300252415789524
Energy: 1.2400262193570841
Energy: 1.2240224209004789
Energy: 1.2343490343457417
Energy: 1.2407941414625863
Energy: 1.1972909970945218
Energy: 1.199365053526248
Energy: 1.2401631074005608
Energy: 1.199430166753088
Energy: 1.2685606998139156
Energy: 1.2407941414625863
Energy: 1.1972909970939578
Energy: 1.1993650535251192
Energy: 1.2401631074016892
Energy: 1.2150930951757297
Energy: 1.2298542950139442
Energy: 1.2454011493706554
Energy: 1.2168499412442717
Energy: 1.197014149232986
Energy: 1.2352569919422813
Energy: 1.215093095178551
Energy: 1.22985429501338
Energy: 1.2454011493695267
Energy: 1.2168499412442717
Energy: 1.2318897181502055
Energy: 1.2260380064097152
Energy: 1.2298807583858378
Energy: 1.2379078265296581
Energy: 1.2078099271050209
Energy: 1.2681381652907218
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Energy: 1.2260380064074583
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Energy: 1.2287963501154109
Energy: 1.1993386524541954
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Energy: 1.2530310653698296
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Energy: 1.199338652453067
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Energy: 1.2530310653715222
Energy: 1.1954008714688433
Energy: 1.2658561865214322
Energy: 1.2699642418474013
Energy: 1.2258878432605569
Energy: 1.195955970162876
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Energy: 1.1954008714699718
Energy: 1.2658561865214322
Energy: 1.2699642418451442
Energy: 1.2258878432594282
Energy: 1.269915246933167
Energy: 1.2919138926927802
Energy: 1.255180820982557
Energy: 1.3170302871389503
Energy: 1.2677851309110468
Energy: 1.297010120646485
Energy: 1.2699152469320385
Energy: 1.2919138926933444
Energy: 1.2551808209842499
Energy: 1.3170302871395143
Energy: 1.2170745304933972
Energy: 1.2615051692393535
Energy: 1.2352275282205114
Energy: 1.3135791363812122
Energy: 1.2342526521620283
Energy: 1.347469488880746
Energy: 1.2463338502479218
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Energy: 1.3135791363812122
Energy: 1.195881480125345
Energy: 1.2642849812029118
Energy: 1.2869668125125449
Energy: 1.2523372762915341
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Energy: 1.250164694001305
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Energy: 1.1990152650398047
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Energy: 1.21705428405852
Energy: 1.2317516802148436
Energy: 1.198888834499925
Energy: 1.2091502534950045
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Energy: 1.21705428405852
Energy: 1.2317516802137147
Energy: 1.198888834499361
Energy: 1.2091502534950045
Energy: 1.2261672345686618
Energy: 1.2079596812545832
Energy: 1.2297806575547565
Energy: 1.2300788573544952
Energy: 1.2694630211519495
Energy: 1.22955070881396
Energy: 1.2261672345680974
Energy: 1.2079596812545832
Energy: 1.2297806575564492
Energy: 1.2300788573550592
Energy: 1.2522428584170116
Energy: 1.294541142810177
Energy: 1.2642464242758433
Energy: 1.1958808884130958
Energy: 1.242054614572358
Energy: 1.2092258226389119
Energy: 1.2522428584147547
Energy: 1.294541142810177
Energy: 1.264246424276972
Energy: 1.1958808884130958
Energy: 1.3133499796046533
Energy: 1.2349377966298398
Energy: 1.2612836502790268
Energy: 1.216615650405215
Energy: 1.3474449186928015
Energy: 1.2275205094397694
Energy: 1.3133499796029604
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Energy: 1.2612836502790268
Energy: 1.2166156504057792
Energy: 1.3174366235192363
Energy: 1.2559015934742224
Energy: 1.291981747611535
Energy: 1.2696329548328988
Energy: 1.2971169932270568
Energy: 1.2678711317388338
Energy: 1.3174366235192363
Energy: 1.255901593475915
Energy: 1.2919817476132278
Energy: 1.2696329548334633
Energy: 1.2259662419691015
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Energy: 1.2658193678994567
Energy: 1.1955717933829468
Energy: 1.3107611870093197
Energy: 1.1957575704532923
Energy: 1.2259662419691015
Energy: 1.2532308717761973
Energy: 1.2658193678988925
Energy: 1.1955717933818184
Energy: 1.2531108621136995
Energy: 1.2828743900830226
Energy: 1.1992855422738162
Energy: 1.2287895120685934
Energy: 1.2304902837566591
Energy: 1.2093579002592345
Energy: 1.253110862114264
Energy: 1.2828743900830226
Energy: 1.1992855422743802
Energy: 1.2287895120708505
Energy: 1.2378556662648401
Energy: 1.2298933971973764
Energy: 1.225991788802313
Energy: 1.2544543157980779
Energy: 1.268157452948935
Energy: 1.2105883984510637
Energy: 1.237855666264276
Energy: 1.2298933971990693
Energy: 1.2259917888011846
Energy: 1.254454315796385
Energy: 1.2167802343753298
Energy: 1.2455489687037322
Energy: 1.2300487183630684
Energy: 1.2150497606975328
Energy: 1.2352569919428456
Energy: 1.1971963618258081
Energy: 1.216780234377587
Energy: 1.2455489687042962
Energy: 1.230048718362504
Energy: 1.2150497606969684
Energy: 1.2404405221909076
Energy: 1.1993173980822978
Energy: 1.1970565673340314
Energy: 1.240848763665784
Energy: 1.2092027616306105
Energy: 1.199303887950552
Energy: 1.240440522193729
Energy: 1.1993173980839904
Energy: 1.1970565673345954
Energy: 1.2408487636646555
Energy: 1.234349034347999
Energy: 1.2240386332739341
Energy: 1.2079819399916172
Energy: 1.3002677052321152
Energy: 1.2105042890311581
Energy: 1.2356739627009903
Energy: 1.2343490343457417
Energy: 1.2240386332739341
Energy: 1.2079819399916172
Energy: 1.3002677052309868
Energy: 1.2969731976378562
Energy: 1.2915686814477692
Energy: 1.2672218676396
Energy: 1.2978094083631253
Energy: 1.2552837232795868
Energy: 1.2643540074917423
Energy: 1.2969731976378562
Energy: 1.2915686814477692
Energy: 1.2672218676390359
Energy: 1.2978094083619969
Energy: 1.3662950556006634
Energy: 1.2653477200605272
Energy: 1.2163123453985893
Energy: 1.3729819833514216
Energy: 1.216698578914529
Energy: 1.265321586899951
Energy: 1.3665739234855616
Energy: 1.2653477200605272
Energy: 1.2163123453974607
Energy: 1.3729819833519863
Energy: 1.2969869979082393
Energy: 1.264447132629326
Energy: 1.255338329391224
Energy: 1.2978311972713739
Energy: 1.2669187560291177
Energy: 1.2918919840588787
Energy: 1.2969869979093678
Energy: 1.2644471326276332
Energy: 1.255338329391224
Energy: 1.297831197273067
Energy: 1.2343490343474348
Energy: 1.2355306318647987
Energy: 1.2101502192208087
Energy: 1.3002524157906523
Energy: 1.2122260339699362
Energy: 1.2240224209004789
Energy: 1.2343490343463062
Energy: 1.2355306318619776
Energy: 1.2086715414758427
Energy: 1.3002524157883955
Energy: 1.2401631074005608
Energy: 1.1994301667542164
Energy: 1.2685606998105303
Energy: 1.2407941414614576
Energy: 1.1972909970939578
Energy: 1.1993650535245552
Energy: 1.2401631074005608
Energy: 1.1994301667553446
Energy: 1.2685606998110945
Energy: 1.2407941414625863

minimum gb energy = 1.1954008714688433 eV
minimum distance =  2.26272350217754 Angstroms
sigma value = 75


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

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Energy: 1.2550005289320612
Energy: 1.3115678554203756
Energy: 1.5086231133809482
Energy: 1.2455625550150211
Energy: 1.2979642585961757
Energy: 1.440259266235065
Energy: 1.2550005289315103
Energy: 1.3115678554165209
Energy: 1.371092786455311
Energy: 1.2182021246817636
Energy: 1.2391860413920328
Energy: 1.2221834351697065
Energy: 1.317032273808554
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Energy: 1.3833965588050898
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Energy: 1.257507105271119
Energy: 1.2795818281714268
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Energy: 1.2386652467243422
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Energy: 1.2575071052713946
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Energy: 1.273875550208504
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Energy: 1.19212151443729
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Energy: 1.2766739874228745
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Energy: 1.1983706328087589
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Energy: 1.2563564410260448
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Energy: 1.325243023964098
Energy: 1.1858466068111855
Energy: 1.2707773029712337
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Energy: 1.2563564410232912
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Energy: 1.2530000612549772
Energy: 1.3275643368522503
Energy: 1.2810139963273244
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Energy: 1.3770043223058503
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Energy: 1.290516784506096
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Energy: 1.40419655469742
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minimum gb energy = 1.1848377420055372 eV
minimum distance =  2.2193545491528 Angstroms
sigma value = 105


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

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Energy: 1.26224780455842
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Energy: 1.298056328208022
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Energy: 1.454301023554738
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Energy: 1.2996573444180652
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Energy: 1.3772538657817996
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Energy: 1.2915128615686533
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Energy: 1.3481426801372942
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Energy: 1.2298120306161553
Energy: 1.2155314985479526
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Energy: 1.2144699186494388
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Energy: 1.2155314985482635
Energy: 1.2857838362208263
Energy: 1.2297149676410446
Energy: 1.1783299066210882
Energy: 1.4279494767906913
Energy: 1.2141718366317626
Energy: 1.2675379906583284
Energy: 1.2305909076071784
Energy: 1.2297149676410446
Energy: 1.1783299066207777
Energy: 1.4279494767906913
Energy: 1.2141718366311414
Energy: 1.3126235572207832
Energy: 1.2044944230232375
Energy: 1.2326440531442941
Energy: 1.242421108078475
Energy: 1.3470142497642537
Energy: 1.0797980754681566
Energy: 1.3126235572856726
Energy: 1.2044944230126766
Energy: 1.2326440531439835
Energy: 1.2424211080781644
Energy: 1.2505845514040639
Energy: 1.2606739596243932
Energy: 1.4101663002331333
Energy: 1.331343227115919
Energy: 1.240199912112872
Energy: 1.2587236954746999
Energy: 1.2505845514059275
Energy: 1.2606739596374388
Energy: 1.410166300233444
Energy: 1.331343227115919
Energy: 1.2948973182782157
Energy: 1.0801409774667747
Energy: 1.347603581502157
Energy: 1.1426130022398715
Energy: 1.3082336958153609
Energy: 1.1125359939231638
Energy: 1.294897318278837
Energy: 1.080140977467396
Energy: 1.3476035815033998
Energy: 1.1426130022404928
Energy: 1.0655027580079768
Energy: 1.0800164308944136
Energy: 1.1669814997218262
Energy: 1.2143482161454486
Energy: 1.427487270929188
Energy: 1.0936307161311347
Energy: 1.0655027580092193
Energy: 1.0800164308944136
Energy: 1.1669814997230687
Energy: 1.2143482161457593
Energy: 1.2301264511820085
Energy: 1.1837019348807953
Energy: 1.0932263161957685
Energy: 1.1662926328384622
Energy: 1.2296554326852949
Energy: 1.2294832443919232
Energy: 1.2301264511813874
Energy: 1.1837019348792421
Energy: 1.0932263161945261
Energy: 1.1662926328381802
Energy: 1.2413458004336968
Energy: 1.3213166187826086
Energy: 1.288196103039482
Energy: 1.3483922061544102
Energy: 1.199714473451512
Energy: 1.3152369309614873
Energy: 1.2413458004352502
Energy: 1.3213166187829193
Energy: 1.2881961030388607
Energy: 1.348392206153789

minimum gb energy = 1.0655027580079768 eV
minimum distance =  2.24307717191257 Angstroms
sigma value = 165


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

Energy: 1.2798724715403202
Energy: 1.3551438065867147
Energy: 1.1981709239016958
Energy: 1.277806816019396
Energy: 1.1980421349783659
Energy: 1.3551406275196387
Energy: 1.2798724715403202
Energy: 1.3551438065867147
Energy: 1.1981709239027623
Energy: 1.2778068159916711
Energy: 1.18978590534085
Energy: 1.2180244137772307
Energy: 1.1969744111106457
Energy: 1.2134247756728056
Energy: 1.18481183849752
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Energy: 1.189785905341916
Energy: 1.2180244137782972
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Energy: 1.2134247756717391
Energy: 1.214440142485642
Energy: 1.3745173901466798
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Energy: 1.224077843690456
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Energy: 1.224077843690456
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Energy: 1.1845618859581928
Energy: 1.2133023366352402
Energy: 1.222779226373455
Energy: 1.19652285090855
Energy: 1.1893607848113077
Energy: 1.2089276318866011
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Energy: 1.186523235241424
Energy: 1.2227792263745212
Energy: 1.1965228509074834
Energy: 1.1893607848113077
Energy: 1.2089276318866011
Energy: 1.1881095405198845
Energy: 1.1969395743984128
Energy: 1.2559188475517744
Energy: 1.3741747493774918
Energy: 1.2157029164091109
Energy: 1.2155999264047967
Energy: 1.1881095405198845
Energy: 1.1969395743973466
Energy: 1.2559188475517744
Energy: 1.3741747493774918
Energy: 1.2144842943441938
Energy: 1.209540447351173
Energy: 1.2123544935985284
Energy: 1.215172086030611
Energy: 1.1848456329582884
Energy: 1.2144278252853176
Energy: 1.21448429434526
Energy: 1.209540447351173
Energy: 1.2123544935995947
Energy: 1.215172086030611
Energy: 1.2239556171086015
Energy: 1.2794499577038903
Energy: 1.37451099586145
Energy: 1.2144498958000312
Energy: 1.2793432797086122
Energy: 1.2163184003883263
Energy: 1.223955617109668
Energy: 1.2794499577038903
Energy: 1.37451099586145
Energy: 1.2144498958000312
Energy: 1.213563011942755
Energy: 1.1969822404814916
Energy: 1.2180498826686346
Energy: 1.189747710460334
Energy: 1.2149173137966947
Energy: 1.184828008631678
Energy: 1.213563011942755
Energy: 1.1969822404804253
Energy: 1.2180498826686346
Energy: 1.1897477104592677
Energy: 1.2583429888296553
Energy: 1.1980421349783659
Energy: 1.3551406275185727
Energy: 1.2798724715403202
Energy: 1.3551438065867147
Energy: 1.1981709239016958
Energy: 1.5986073056009715
Energy: 1.1980421349783659
Energy: 1.3551406275185727
Energy: 1.2798724715413863

minimum gb energy = 1.1845477317443969 eV
minimum distance =  2.27662479660415 Angstroms
sigma value = 41


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

Energy: 1.2416213083911585
Energy: 1.213410186179666
Energy: 1.1200997618412136
Energy: 1.349975089442067
Energy: 1.0962120600766805
Energy: 1.1366986211434367
Energy: 1.2416213083961236
Energy: 1.2134101861771835
Energy: 1.1200997618403858
Energy: 1.1795304295087599
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Energy: 1.185259678908629
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Energy: 1.1171286103855895
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Energy: 1.3028570219006845
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Energy: 1.120494234122165
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Energy: 1.187990962871227
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Energy: 1.1894814930227988
Energy: 1.1369734781673093
Energy: 1.358458101085843
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Energy: 1.3156931638284468
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Energy: 1.0967641077559578
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Energy: 1.3208018869516633
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Energy: 1.1364105522444492
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Energy: 1.1393077590158878
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Energy: 1.320801886952077
Energy: 1.1249795931116833
Energy: 1.1364105522415533
Energy: 1.1458374900829287
Energy: 1.1462607186373304
Energy: 1.2105011232004688
Energy: 1.1488891093546825
Energy: 1.1438360288471319
Energy: 1.2323604953577134
Energy: 1.1458374900829287
Energy: 1.1462607186389855
Energy: 1.2105011232004688
Energy: 1.148889109354269
Energy: 1.1847047949706628
Energy: 1.1240784755931525
Energy: 1.2105530794451484
Energy: 1.145235202613121
Energy: 1.1864446782939433
Energy: 1.096037982880625
Energy: 1.1847047949706628
Energy: 1.124078475592325
Energy: 1.2105530794455621
Energy: 1.1452352026160169
Energy: 1.1193632621846654
Energy: 1.122302852526612
Energy: 1.2142781196891814
Energy: 1.1192296909814878
Energy: 1.3153531013538329
Energy: 1.0939760986636684
Energy: 1.1193632621838379
Energy: 1.122302852529508
Energy: 1.214278119690009
Energy: 1.1192296909819013
Energy: 1.140121181432993
Energy: 1.1231089753906787
Energy: 1.1852522490111685
Energy: 1.1244445981057822
Energy: 1.1348726854717837
Energy: 1.1177906555950199
Energy: 1.140121181435889
Energy: 1.1231089753919197
Energy: 1.185252249011582
Energy: 1.124444598104955
Energy: 1.2166164358707205
Energy: 1.1464189088082817
Energy: 1.1467476110035681
Energy: 1.2213113317524429
Energy: 1.1534974227864785
Energy: 1.1179109340663897
Energy: 1.2166164358686515
Energy: 1.1464189088066268
Energy: 1.1467476110031543
Energy: 1.2213113317557527
Energy: 1.0964613223670967
Energy: 1.1868786524414792
Energy: 1.123286863937137
Energy: 1.1395910035619856
Energy: 1.1540935486248969
Energy: 1.150892210424921
Energy: 1.096461322363787
Energy: 1.1868786524398243
Energy: 1.1232868639358957
Energy: 1.1395910035631893
Energy: 1.1482778733364412
Energy: 1.1209554694232644
Energy: 1.1224931912619471
Energy: 1.1545314782375182
Energy: 1.1203823817499379
Energy: 1.3024110731764227
Energy: 1.1482778733376822
Energy: 1.1209554694282293
Energy: 1.1224931912627747
Energy: 1.154531478235863
Energy: 1.1466895161612425
Energy: 1.2205761401751507
Energy: 1.1239657727753483
Energy: 1.2675334183121074
Energy: 1.1513752820058372
Energy: 1.1856665458840627
Energy: 1.1466895161620698
Energy: 1.2205761401722544
Energy: 1.1239657727720385
Energy: 1.2675334183112799
Energy: 1.151927551855754
Energy: 1.2210918623237748
Energy: 1.146598482074074
Energy: 1.1458665225748197
Energy: 1.2220175963847106
Energy: 1.1158820692534934
Energy: 1.1519275518582361
Energy: 1.2210918623262572
Energy: 1.1465984820765562
Energy: 1.1458665225735785
Energy: 1.1547512798648918
Energy: 1.120701462855715
Energy: 1.1852038053816083
Energy: 1.132063249144741
Energy: 1.1390362852730072
Energy: 1.1886592511920826
Energy: 1.1547512798669606
Energy: 1.1207014628544738
Energy: 1.1852038053811946
Energy: 1.1320632491410176
Energy: 1.3042007651071554
Energy: 1.1243978396182395
Energy: 1.121806923159816
Energy: 1.121502412102142
Energy: 1.1544003059711172
Energy: 1.1502176056736064
Energy: 1.3042007651055
Energy: 1.1243978396165843
Energy: 1.1218069230953116
Energy: 1.1215024121033832
Energy: 1.1892713194577749
Energy: 1.147737526854398
Energy: 1.2219139683532902
Energy: 1.1225909713532003
Energy: 1.1463859828159326
Energy: 1.1543029903102093
Energy: 1.1892713194552926
Energy: 1.147737526856053
Energy: 1.2219139683520495
Energy: 1.1225909713532003

minimum gb energy = 1.0939760986636684 eV
minimum distance =  2.3150034629808 Angstroms
sigma value = 185


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

Energy: 1.2012804782537558
Energy: 1.1923745583627712
Energy: 1.3687785729895594
Energy: 1.544006539525108
Energy: 1.3690820772996333
Energy: 1.2227182941464823
Energy: 1.2012804782542472
Energy: 1.1923745583627712
Energy: 1.3687785729890682
Energy: 1.4384884930313575
Energy: 1.3851778089997233
Energy: 1.272566241501711
Energy: 1.166811076998894
Energy: 1.1906523874339152
Energy: 1.1870289594896941
Energy: 1.2827484342147437
Energy: 1.3851778089987412
Energy: 1.2725662414987642
Energy: 1.1668110769984028
Energy: 1.190652387433424
Energy: 1.1633027707075496
Energy: 1.187333323649686
Energy: 1.3963676219938217
Energy: 1.3697125076883294
Energy: 1.187673653814553
Energy: 1.1883957874768885
Energy: 1.1633027707070582
Energy: 1.187333323650177
Energy: 1.3963676219938217
Energy: 1.3697125076873473
Energy: 1.3786756333192849
Energy: 1.1873213803901796
Energy: 1.1743380091217592
Energy: 1.1788891830955806
Energy: 1.2280370166820123
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Energy: 1.3786756333192849
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Energy: 1.1743380091227416
Energy: 1.1788891830955806
Energy: 1.1563312698148824
Energy: 1.1669448413477777
Energy: 1.220743532743324
Energy: 1.4230142373060821
Energy: 1.4180353917424475
Energy: 1.122704606692836
Energy: 1.156331269812427
Energy: 1.1669448413487598
Energy: 1.2207435327428329
Energy: 1.4230142373065733
Energy: 1.178391327460191
Energy: 1.3691788537851535
Energy: 1.3448629562147891
Energy: 1.2051180549071985
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Energy: 1.3710373476364042
Energy: 1.1881041084663855
Energy: 1.3691788537826977
Energy: 1.3238989301130974
Energy: 1.205118054905234
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Energy: 1.3687752120505248
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Energy: 1.3687752120505248
Energy: 1.2787176131546105
Energy: 1.4188125546362271
Energy: 1.2240282205397133
Energy: 1.16674821600287
Energy: 1.2225615820041844
Energy: 1.1632831478154237
Energy: 1.4376835444845526
Energy: 1.4188125546362271
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Energy: 1.1667482160023788
Energy: 1.222561582003202
Energy: 1.179120685485985
Energy: 1.2194713706540283
Energy: 1.1872696370486326
Energy: 1.4629930034345564
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Energy: 1.1562520972110824
Energy: 1.179120685486476
Energy: 1.219471370653046
Energy: 1.1872696370486326
Energy: 1.4629930034365208
Energy: 1.3690401045514582
Energy: 1.4010451861165154
Energy: 1.1885408501333135
Energy: 1.1649669557859437
Energy: 1.1646031501542253
Energy: 1.1872634790775247
Energy: 1.3690401045505205
Energy: 1.401045186117498
Energy: 1.1885408501338046
Energy: 1.164966955790319
Energy: 1.1905636616775834
Energy: 1.1668893875933193
Energy: 1.310201953155517
Energy: 1.418710978694436
Energy: 1.2672383779193985
Energy: 1.1880267812986245
Energy: 1.1905636616780746
Energy: 1.1668893875918458
Energy: 1.3102019531550257
Energy: 1.4187109786939451
Energy: 1.4308750129634065
Energy: 1.3688858167315567
Energy: 1.1925345273236738
Energy: 1.3837504169410602
Energy: 1.1588201676108079
Energy: 1.3687785729900503
Energy: 1.4069489783624465
Energy: 1.3688858167330302
Energy: 1.1622526361048249
Energy: 1.3837504169415513
Energy: 1.1906523874339152
Energy: 1.187028959490185
Energy: 1.26723837791989
Energy: 1.4187295730944651
Energy: 1.27256624150122
Energy: 1.1668110769979116
Energy: 1.1906523874344064
Energy: 1.187028959490185
Energy: 1.2672383779203809
Energy: 1.4187295730939742
Energy: 1.3690215749231132
Energy: 1.1876736538174997
Energy: 1.1646788970723987
Energy: 1.1633027707080408
Energy: 1.187131575520587
Energy: 1.4010451861165154
Energy: 1.3690215749255688
Energy: 1.1876736538160264
Energy: 1.1646788970709252
Energy: 1.163302770706076
Energy: 1.1791168771527707
Energy: 1.1566775061763688
Energy: 1.2014890610720432
Energy: 1.3843053970384918
Energy: 1.1874797212076103
Energy: 1.2190977167466364
Energy: 1.1791168771527707
Energy: 1.1566775061744041
Energy: 1.2014890610754811
Energy: 1.3843053970384918
Energy: 1.4230142373060821
Energy: 1.4174924477653918
Energy: 1.14045530681079
Energy: 1.1563312698139003
Energy: 1.1669448413482688
Energy: 1.220743532743324
Energy: 1.4230142373051
Energy: 1.417492447764901
Energy: 1.1404553068093166
Energy: 1.1563312698143915
Energy: 1.2051180549071985
Energy: 1.188250014319773
Energy: 1.3030412848641635
Energy: 1.188031589864063
Energy: 1.369178853784662
Energy: 1.334711529351017
Energy: 1.205118054905234
Energy: 1.1882500143187906
Energy: 1.3030412848641635
Energy: 1.1880315898650453
Energy: 1.3069973617896293
Energy: 1.3708888750066788
Energy: 1.1922580415952464
Energy: 1.2051179362369688
Energy: 1.358747634067144
Energy: 1.3689144534153168
Energy: 1.278717613152646
Energy: 1.3708888750066788
Energy: 1.1922580415947552
Energy: 1.205117936238442
Energy: 1.2957491359003748
Energy: 1.1231979334360402
Energy: 1.4183570655682056
Energy: 1.418812554635736
Energy: 1.1937717657670657
Energy: 1.1670217786462491
Energy: 1.2957491359013573
Energy: 1.1231979334365314
Energy: 1.4183570655686968
Energy: 1.4188125546381918
Energy: 1.4566777965070696
Energy: 1.1231239165452072
Energy: 1.1562520972110824
Energy: 1.179120685485985
Energy: 1.219471370653046
Energy: 1.1872696370491238
Energy: 1.456677796506087
Energy: 1.1231239165461893
Energy: 1.1562520972105912
Energy: 1.179120685486476
Energy: 1.190064632724848
Energy: 1.1646031501542253
Energy: 1.1870329773292518
Energy: 1.3690401045514582
Energy: 1.3963676219938217
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Energy: 1.190064632724357
Energy: 1.1646031501552077
Energy: 1.1870329773272874
Energy: 1.3690401045514582
Energy: 1.3745873701969036
Energy: 1.282748434212288
Energy: 1.1881125566624964
Energy: 1.1907638774981266
Energy: 1.1668974473654188
Energy: 1.3411602141710917
Energy: 1.3745873701969036
Energy: 1.282748434212779
Energy: 1.188112556661023
Energy: 1.1907638774981266
Energy: 1.2012804782547382
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Energy: 1.3687785729895594
Energy: 1.4384884929214357
Energy: 1.3690820772991423
Energy: 1.2227182941464823
Energy: 1.2012804782537558
Energy: 1.1923745583637533
Energy: 1.3687785729895594
Energy: 1.4384884929852366
Energy: 1.3851778089997233
Energy: 1.272566241501711
Energy: 1.166811076998894
Energy: 1.190652387433424
Energy: 1.1870289594896941
Energy: 1.2827484342157258
Energy: 1.3851778089992324
Energy: 1.272566241497782
Energy: 1.166811076998894
Energy: 1.1906523874339152
Energy: 1.1633027707075496
Energy: 1.187333323649195
Energy: 1.3963676219938217
Energy: 1.3697125076878383
Energy: 1.187673653815044
Energy: 1.1883957874768885
Energy: 1.1633027707070582
Energy: 1.187333323649686
Energy: 1.3963676219943129
Energy: 1.3697125076868562
Energy: 1.378675633319776
Energy: 1.1873213803896885
Energy: 1.1743380091212678
Energy: 1.1788891830945984
Energy: 1.2280370166825032
Energy: 1.1232196201385765
Energy: 1.3786756333183028
Energy: 1.1873213803882152
Energy: 1.1743380091227416
Energy: 1.1788891830960717
Energy: 1.1563312698153736
Energy: 1.1669448413472865
Energy: 1.220743532743324
Energy: 1.4230142373070644
Energy: 1.4180353917434296
Energy: 1.1227046066918538
Energy: 1.156331269812918
Energy: 1.1669448413487598
Energy: 1.2207435327418508
Energy: 1.4230142373060821
Energy: 1.1881041084634387
Energy: 1.3691788537861356
Energy: 1.358747634061742
Energy: 1.2051180549067073
Energy: 1.1649765695585392
Energy: 1.371037347635422
Energy: 1.1881041084673678
Energy: 1.3691788537826977
Energy: 1.3238989301140798
Energy: 1.205118054904252
Energy: 1.205262920026509
Energy: 1.3429920876155017
Energy: 1.3687752120495424
Energy: 1.2787176131521547
Energy: 1.3108346626682874
Energy: 1.1922580415942643
Energy: 1.2052629200245446
Energy: 1.406651078188416
Energy: 1.3687752120505248
Energy: 1.2787176131546105
Energy: 1.418812554635736
Energy: 1.2240282205397133
Energy: 1.1667482160023788
Energy: 1.222561582003202
Energy: 1.1632831478154237
Energy: 1.4376835444840617
Energy: 1.418812554635245
Energy: 1.2240282205387312
Energy: 1.1667482160018878
Energy: 1.2225615820036932
Energy: 1.179120685485985
Energy: 1.2194713706535372
Energy: 1.1872696370486326
Energy: 1.462993003432592
Energy: 1.1912991026932562
Energy: 1.1562520972101
Energy: 1.1791206854869671
Energy: 1.219471370653046
Energy: 1.1872696370491238
Energy: 1.4629930034350473
Energy: 1.3690401045510117
Energy: 1.4010451861165154
Energy: 1.1885408501333135
Energy: 1.164966955787417
Energy: 1.1646031501552077
Energy: 1.1872634790770336
Energy: 1.3690401045514582
Energy: 1.401045186117498
Energy: 1.1885408501333135
Energy: 1.1649669557888458
Energy: 1.1905636616790571
Energy: 1.1668893875933193
Energy: 1.3102019531545346
Energy: 1.4187109786939451
Energy: 1.2672383779193985
Energy: 1.1880267812991154
Energy: 1.1905636616766013
Energy: 1.166889387592337
Energy: 1.3102019531550257
Energy: 1.418710978693454

minimum gb energy = 1.1227046066918538 eV
minimum distance =  2.228580592513 Angstroms
sigma value = 33


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

Energy: 1.2252430853741023
Energy: 1.2777854041793761
Energy: 1.3006144378835984
Energy: 1.3853738813994563
Energy: 1.3025387363383678
Energy: 1.288506768081318
Energy: 1.2252430853730487
Energy: 1.2777854041777583
Energy: 1.3006144378860247
Energy: 1.3853738813832794
Energy: 1.3036102931517966
Energy: 1.3221723709839628
Energy: 1.1639849049242739
Energy: 1.2174720630214304
Energy: 1.1870331197012653
Energy: 1.2499673279119
Energy: 1.3036102931531441
Energy: 1.3221723709834237
Energy: 1.1639849049264308
Energy: 1.217472063022239
Energy: 1.2099217488657021
Energy: 1.1727091730283135
Energy: 1.1643771016122768
Energy: 1.2736269593803666
Energy: 1.1874910355670076
Energy: 1.2040133578193404
Energy: 1.2099217488657021
Energy: 1.1727091730288526
Energy: 1.1643771016117377
Energy: 1.273626959379827
Energy: 1.1801187828939292
Energy: 1.1788251025551777
Energy: 1.205588627603619
Energy: 1.170814628640954
Energy: 1.2812749050653147
Energy: 1.2722934813743307
Energy: 1.1801187828950077
Energy: 1.178825102553021
Energy: 1.205588627603619
Energy: 1.1708146286412235
Energy: 1.2053358150236007
Energy: 1.1727000053749694
Energy: 1.1875129057502256
Energy: 1.3112070596434158
Energy: 1.2294517704831271
Energy: 1.1687017803219286
Energy: 1.2053358150241398
Energy: 1.1727000053733516
Energy: 1.1875129057499558
Energy: 1.3112070596431458
Energy: 1.274656818536985
Energy: 1.1724382403006184
Energy: 1.2114902068251145
Energy: 1.2035444737409053
Energy: 1.18741837057365
Energy: 1.2739996613674265
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Energy: 1.1724382402995401
Energy: 1.211490206825384
Energy: 1.2035444737411751
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Energy: 1.2919822525837648
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Energy: 1.234206118656417
Energy: 1.1868739424650405
Energy: 1.2138589581616321
Energy: 1.164335207765293
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Energy: 1.234206118656417
Energy: 1.3016949320531819
Energy: 1.268052418023719
Energy: 1.2391229300867586
Energy: 1.3227965150920413
Energy: 1.3022710099165664
Energy: 1.2142951899088368
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Energy: 1.2680524180226407
Energy: 1.23912293008568
Energy: 1.322796515095007
Energy: 1.1873388138614474
Energy: 1.20477572465333
Energy: 1.3421484148443286
Energy: 1.321172793558198
Energy: 1.160467621735286
Energy: 1.21361840049026
Energy: 1.1873388138622565
Energy: 1.2047757246544084
Energy: 1.342148414845407
Energy: 1.3211727935587372
Energy: 1.2218725421690142
Energy: 1.2038340114669608
Energy: 1.209685634339432
Energy: 1.1724854706999406
Energy: 1.1577883105422975
Energy: 1.2720650456326548
Energy: 1.2218725421687446
Energy: 1.2038340114683088
Energy: 1.209685634339432
Energy: 1.1724854707004797
Energy: 1.2884247013144388
Energy: 1.3258120152081636
Energy: 1.2938308189933359
Energy: 1.1796857996532142
Energy: 1.2052978164319463
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Energy: 1.2884247013163264
Energy: 1.3258120152092419
Energy: 1.293830818996841
Energy: 1.1796857996548318
Energy: 1.2295067705923846
Energy: 1.1822233992611204
Energy: 1.2059454442555704
Energy: 1.1727117403523752
Energy: 1.1826157483166226
Energy: 1.3107842028583796
Energy: 1.2295067705915759
Energy: 1.182223399262199
Energy: 1.2059454442555704
Energy: 1.1727117403502183
Energy: 1.1873996211879145
Energy: 1.166599696851118
Energy: 1.2746930445045142
Energy: 1.172281656403826
Energy: 1.211382990138264
Energy: 1.2032100160934196
Energy: 1.1873996211884534
Energy: 1.1665996968527357
Energy: 1.2746930445042444
Energy: 1.1722816564030174
Energy: 1.1869625618472044
Energy: 1.2138039818172028
Energy: 1.1610791325578527
Energy: 1.2910930650569277
Energy: 1.308583882151929
Energy: 1.2340864995884329
Energy: 1.1869625618474742
Energy: 1.2138039818190904
Energy: 1.1610791325586614
Energy: 1.2910930650577364
Energy: 1.311161543159502
Energy: 1.2129692063576376
Energy: 1.301340298605341
Energy: 1.2672139613116211
Energy: 1.2407568248668113
Energy: 1.3227990742833797
Energy: 1.311161543159502
Energy: 1.2129692063557505
Energy: 1.301340298605341
Energy: 1.267213961310812
Energy: 1.1604673807506114
Energy: 1.2160257188325767
Energy: 1.1877057199787673
Energy: 1.2047751241726856
Energy: 1.1474734917928733
Energy: 1.366902610193761
Energy: 1.1604673807498025
Energy: 1.2160257188331156
Energy: 1.1877057199790368
Energy: 1.2047751241702591
Energy: 1.2444687007661126
Energy: 1.271908896691345
Energy: 1.2223999439522382
Energy: 1.1969946547299257
Energy: 1.1794196841219426
Energy: 1.17236094804988
Energy: 1.2444687007655737
Energy: 1.2719088966897274
Energy: 1.222399943951699
Energy: 1.1969946547299257
Energy: 1.2051537934985448
Energy: 1.1881841949553202
Energy: 1.2886449649142613
Energy: 1.3265401537546242
Energy: 1.2940761476464668
Energy: 1.1793573773884583
Energy: 1.2051537934969272
Energy: 1.1881841949537026
Energy: 1.2886449649148006
Energy: 1.3265401537532762
Energy: 1.212970445907419
Energy: 1.305219949505343
Energy: 1.2147823696668518
Energy: 1.1810156192103078
Energy: 1.2562164119318349
Energy: 1.1725670939978738
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Energy: 1.3006670143942745
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Energy: 1.2209021914539593
Energy: 1.2687562014216403
Energy: 1.300667014393735
Energy: 1.2419292050430175
Energy: 1.1844374987124593
Energy: 1.203670773170658
Energy: 1.2546788352774145
Energy: 1.3257961832550147
Energy: 1.1271612299737692
Energy: 1.1978179575003565
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Energy: 1.3257961832566325
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Energy: 1.3305826866059047
Energy: 1.2052813387133272
Energy: 1.1770676001928384
Energy: 1.2892268873541655
Energy: 1.1772664203572012

minimum gb energy = 1.1271612299729603 eV
minimum distance =  2.26270105165699 Angstroms
sigma value = 219


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

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Energy: 1.1334132137832216
Energy: 1.4140721389763296
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Energy: 1.217976715873715
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Energy: 1.0883848691908171
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Energy: 1.1345859186005205
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Energy: 1.088713717953363
Energy: 1.172714369347364
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Energy: 1.1336317547417991
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Energy: 1.1520178097082256
Energy: 1.1336317547417991
Energy: 1.133331577588495
Energy: 1.1334239967939672
Energy: 1.2502580075717171

minimum gb energy = 1.0883743746368397 eV
minimum distance =  2.28464430223908 Angstroms
sigma value = 15


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

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Energy: 1.3268416364511633
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minimum gb energy = 1.2962830874420848 eV
minimum distance =  2.25795240760842 Angstroms
sigma value = 293


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

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Energy: 1.3587736164200233
Energy: 1.4964435617959397
Energy: 1.3587424828686043
Energy: 1.3697081712658266
Energy: 1.3565817128131827
Energy: 1.3886714392925665
Energy: 1.3587736164192172
Energy: 1.49644356179997
Energy: 1.2960786751048183
Energy: 1.5344563904691833
Energy: 1.3576567449795043
Energy: 1.3516422007193394
Energy: 1.3626805370858979
Energy: 1.446698837227297
Energy: 1.2960786751060274
Energy: 1.5344563904691833
Energy: 1.3576567449807135
Energy: 1.3516422007185334
Energy: 1.4014031223303596
Energy: 1.2955683688042818
Energy: 1.374324023483186
Energy: 1.3688778578988825
Energy: 1.378148564630551
Energy: 1.3085211938053363
Energy: 1.4111712372541965
Energy: 1.295568368805088
Energy: 1.3743240234815735
Energy: 1.3688778578996885
Energy: 1.409089264335463
Energy: 1.295751797383764
Energy: 1.3358285902097666
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Energy: 1.3137795231919145
Energy: 1.3963462233527923
Energy: 1.4090892643350599
Energy: 1.2957517973841672
Energy: 1.3358285902093636
Energy: 1.3175491339781562
Energy: 1.329750033013168
Energy: 1.4681957033263655
Energy: 1.3706243227961412
Energy: 1.2985382691910152
Energy: 1.5499284572522922
Energy: 1.3250499966299656
Energy: 1.3297500330135712
Energy: 1.4681957033267685
Energy: 1.3706243227957382
Energy: 1.2985382691918212
Energy: 1.3294101168086467
Energy: 1.330589508081769
Energy: 1.354223116625144
Energy: 1.4687219015904458
Energy: 1.3468236315948074
Energy: 1.3159258671644727
Energy: 1.3294101168086467
Energy: 1.330589508081769
Energy: 1.354223116625144
Energy: 1.4687219015908488
Energy: 1.3675873829151521
Energy: 1.3374058427201176
Energy: 1.3086712502338722
Energy: 1.4385115489725766
Energy: 1.2968933688049338
Energy: 1.388125276427902
Energy: 1.367587382914346
Energy: 1.3374058427209234
Energy: 1.3086712502334694
Energy: 1.4385115489721736
Energy: 1.3684171481871732
Energy: 1.383984755447487
Energy: 1.3840018664773472
Energy: 1.3687236106741112
Energy: 1.3146153914401035
Energy: 1.3148281405680529
Energy: 1.3684171481867702
Energy: 1.3839847554462779
Energy: 1.3840018664781166
Energy: 1.3687236106741112
Energy: 1.4386199017783632
Energy: 1.3088208090293063
Energy: 1.337392380616541
Energy: 1.367595447117234
Energy: 1.388004754489395
Energy: 1.2969682626922134
Energy: 1.4386199017791694
Energy: 1.3088208090297098
Energy: 1.3373923806173473
Energy: 1.367595447116025
Energy: 1.4683619831295665
Energy: 1.3542460735492101
Energy: 1.33067916504186
Energy: 1.3294001097682724
Energy: 1.31616943034534
Energy: 1.346893615405671
Energy: 1.4683619831295665
Energy: 1.3542460735492101
Energy: 1.33067916504186
Energy: 1.3294001097690782
Energy: 1.298553211117522
Energy: 1.370724473931169
Energy: 1.4681957033267685
Energy: 1.3297594493299327
Energy: 1.3249585578055583
Energy: 1.5499284572530982
Energy: 1.2985532111171187
Energy: 1.370724473931572
Energy: 1.4681957033263655
Energy: 1.329759449330336
Energy: 1.317581543637908
Energy: 1.3361055382851919
Energy: 1.2956281488885115
Energy: 1.4090791125225788
Energy: 1.3963256576738705
Energy: 1.3143417649908746
Energy: 1.317581543638714
Energy: 1.336105538285595
Energy: 1.2956281488885115
Energy: 1.4090791125225788

minimum gb energy = 1.295564166079782 eV
minimum distance =  2.22464429665596 Angstroms
sigma value = 293


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

Energy: 1.1182178346867062
Energy: 1.1696901913685374
Energy: 1.1688196140782379
Energy: 1.5746858838698914
Energy: 1.168816932067325
Energy: 1.1947152727324717
Energy: 1.1182178346874345
Energy: 1.169690191369266
Energy: 1.168819614076781
Energy: 1.5162039569194854
Energy: 1.1689332733506188
Energy: 1.8037544196011521
Energy: 1.168839147072277
Energy: 1.240385614978885
Energy: 1.682508357250585
Energy: 1.1699581643669212
Energy: 1.1689332733506188
Energy: 1.8380769467541647
Energy: 1.1688391470715487
Energy: 1.1939387980666063
Energy: 1.1941985616531592
Energy: 1.1164698061026264
Energy: 1.6290513555373556
Energy: 1.1162650399428504
Energy: 1.2006011647443362
Energy: 1.169311432717208
Energy: 1.1941985616531592
Energy: 1.1164698061018978
Energy: 1.6290513555373556
Energy: 1.1162650399421221
Energy: 1.6290894257113389
Energy: 1.116425187937712
Energy: 1.194209755713441
Energy: 1.169314443547584
Energy: 1.2006654500240495
Energy: 1.1162641988664515
Energy: 1.6290894257113389
Energy: 1.116425187937712
Energy: 1.194209755713441
Energy: 1.1693144435483123
Energy: 1.1688399244893597
Energy: 1.742888422366283
Energy: 1.1689468127873475
Energy: 1.1699754600055974
Energy: 1.6825235577834574
Energy: 1.5133829515493504
Energy: 1.168839924490088
Energy: 1.5173570536393983
Energy: 1.1689468127880758
Energy: 1.1699754600048686
Energy: 1.1688169320680535
Energy: 1.2721731467675648
Energy: 1.1182178346859775
Energy: 1.1696901913678093
Energy: 1.1688196140782379
Energy: 1.5162039569194854
Energy: 1.168816932067325
Energy: 1.1947152727324717
Energy: 1.1182178346867062
Energy: 1.169690191369266
Energy: 1.6825083572513133
Energy: 1.1699581643676493
Energy: 1.1689332733506188
Energy: 1.8380769467541647
Energy: 1.168839147072277
Energy: 1.1939387980658775
Energy: 1.682508357250585
Energy: 1.1699581643669212
Energy: 1.1689332733506188
Energy: 1.8380769467541647
Energy: 1.2006011647443362
Energy: 1.169311432717208
Energy: 1.1941985616531592
Energy: 1.1164698061026264
Energy: 1.6290513555366273
Energy: 1.1162650399428504
Energy: 1.2006011647436077
Energy: 1.169311432717208
Energy: 1.1941985616531592
Energy: 1.1164698061018978
Energy: 1.2006654500247782
Energy: 1.1162641988664515
Energy: 1.6290894257113389
Energy: 1.1164251879384408
Energy: 1.194209755713441
Energy: 1.169314443547584
Energy: 1.2006654500240495
Energy: 1.1162641988664515
Energy: 1.6290894257113389
Energy: 1.116425187937712
Energy: 1.6825235577834574
Energy: 1.5725871849576787
Energy: 1.1688399244893597
Energy: 1.6068007154756112
Energy: 1.1689468127873475
Energy: 1.1699754600055974
Energy: 1.6825235577834574
Energy: 1.5133829515493504
Energy: 1.168839924490088
Energy: 1.5173570536393983
Energy: 1.168819614076781
Energy: 1.4694802028656093
Energy: 1.1688169320680535
Energy: 1.1947152727332004
Energy: 1.1182178346867062
Energy: 1.1696901913678093
Energy: 1.1688196140782379
Energy: 1.5162039569194854
Energy: 1.168816932067325
Energy: 1.1947152727324717
Energy: 1.1688391470715487
Energy: 1.2301286756343401
Energy: 1.682508357250585
Energy: 1.1699581643676493
Energy: 1.1689332733506188
Energy: 1.8380769467541647
Energy: 1.168839147072277
Energy: 1.1939387980658775
Energy: 1.682508357250585
Energy: 1.1699581643669212
Energy: 1.6290513555373556
Energy: 1.1162650399421221
Energy: 1.2006011647436077
Energy: 1.169311432717208
Energy: 1.1941985616531592
Energy: 1.1164698061026264
Energy: 1.6290513555366273
Energy: 1.1162650399428504
Energy: 1.2006011647436077
Energy: 1.169311432717208
Energy: 1.194209755713441
Energy: 1.1693144435483123
Energy: 1.2006654500247782
Energy: 1.1162641988664515
Energy: 1.6290894257113389
Energy: 1.116425187937712
Energy: 1.1942097557141695
Energy: 1.169314443547584
Energy: 1.2006654500247782
Energy: 1.1162641988664515
Energy: 1.1689468127880758
Energy: 1.1699754600048686
Energy: 1.6825235577841855
Energy: 1.5133829515493504
Energy: 1.1688399244893597
Energy: 1.6068007154763397
Energy: 1.1689468127873475
Energy: 1.1699754600055974
Energy: 1.6825235577834574
Energy: 1.5133829515493504
Energy: 1.1182178346867062
Energy: 1.169690191369266
Energy: 1.168819614076781
Energy: 1.5031204323625584
Energy: 1.1688169320680535
Energy: 1.1947152727332004
Energy: 1.1182178346867062
Energy: 1.1696901913678093
Energy: 1.1688196140782379
Energy: 1.5162039569194854
Energy: 1.1689332733506188
Energy: 1.6300887532532828
Energy: 1.1688391470715487
Energy: 1.1939387980666063
Energy: 1.682508357250585
Energy: 1.1699581643676493
Energy: 1.1689332733513471
Energy: 1.8380769467541647
Energy: 1.168839147072277
Energy: 1.1939387980658775
Energy: 1.1941985616531592
Energy: 1.1164698061018978
Energy: 1.6290513555373556
Energy: 1.1162650399421221
Energy: 1.2006011647436077
Energy: 1.169311432717208
Energy: 1.1941985616531592
Energy: 1.1164698061026264
Energy: 1.6290513555373556
Energy: 1.1162650399428504
Energy: 1.6290894257113389
Energy: 1.116425187937712
Energy: 1.194209755713441
Energy: 1.1693144435483123
Energy: 1.2006654500247782
Energy: 1.1162641988664515
Energy: 1.6290894257113389
Energy: 1.116425187937712
Energy: 1.194209755713441
Energy: 1.169314443547584
Energy: 1.168839924490088
Energy: 1.8380769467541647
Energy: 1.1689468127880758
Energy: 1.1699754600048686
Energy: 1.6825235577834574
Energy: 1.5133829515493504
Energy: 1.1688399244893597
Energy: 1.5173570536401266
Energy: 1.1689468127873475
Energy: 1.1699754600055974
Energy: 1.168816932067325
Energy: 1.1947152727324717
Energy: 1.1182178346867062
Energy: 1.1696901913685374
Energy: 1.168819614076781
Energy: 1.6223057447875875
Energy: 1.1688169320680535
Energy: 1.1947152727332004
Energy: 1.1182178346867062
Energy: 1.1696901913685374
Energy: 1.682508357250585
Energy: 1.1699581643669212
Energy: 1.1689332733506188
Energy: 1.7271985253459203
Energy: 1.1688391470715487
Energy: 1.1939387980666063
Energy: 1.682508357250585
Energy: 1.1699581643676493
Energy: 1.1689332733513471
Energy: 1.8380769467541647

minimum gb energy = 1.1162641988664515 eV
minimum distance =  2.27970367565119 Angstroms
sigma value = 15


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

Energy: 1.5253678807995261
Energy: 1.2678274148354376
Energy: 1.3083079838371034
Energy: 1.3295394013393398
Energy: 1.3083096030332069
Energy: 1.2884651459906307
Energy: 1.525367880799196
Energy: 1.267827414834447
Energy: 1.3083079838374339
Energy: 1.2928635230377659
Energy: 1.3543418693825557
Energy: 1.3562224297048766
Energy: 1.3061440735724095
Energy: 1.3149021436637733
Energy: 1.33568876759152
Energy: 1.2829852379529925
Energy: 1.354341869382886
Energy: 1.3562224297048766
Energy: 1.3061440735727397
Energy: 1.3149021436634434
Energy: 1.3005159777691544
Energy: 1.2692777541398397
Energy: 1.357039553100191
Energy: 1.3172995121143254
Energy: 1.3212330211675203
Energy: 1.4345687052386331
Energy: 1.3005159777694848
Energy: 1.2692777541391793
Energy: 1.3570395530906152
Energy: 1.3172995121133346
Energy: 1.41548257903099
Energy: 1.2710874673498334
Energy: 1.283363674059345
Energy: 1.3475660613474492
Energy: 1.366623729258379
Energy: 1.2830915332400905
Energy: 1.4154825790316503
Energy: 1.2710874673508241
Energy: 1.2833636740590149
Energy: 1.3475660613464586
Energy: 1.2923638458172988
Energy: 1.4358948419821838
Energy: 1.2759520655430168
Energy: 1.3142452176820858
Energy: 1.3018259113434962
Energy: 1.2791044405306657
Energy: 1.2923638458172988
Energy: 1.3876253424960738
Energy: 1.2759520655443377
Energy: 1.314245217682416
Energy: 1.2918171878799212
Energy: 1.2690038412472031
Energy: 1.3014301508220376
Energy: 1.3070799111078273
Energy: 1.295008313825076
Energy: 1.447240984758046
Energy: 1.2918171878805815
Energy: 1.2690038412478633
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Energy: 1.3070799111098086
Energy: 1.3349285369355095
Energy: 1.2356336332962996
Energy: 1.2432226353337286
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Energy: 1.3176393163899673
Energy: 1.3349285369345192
Energy: 1.235633633295309
Energy: 1.2432226353320774
Energy: 1.3540390842728844
Energy: 1.2723128314449976
Energy: 1.2779242632045145
Energy: 1.2646466529504126
Energy: 1.3013635370517
Energy: 1.3259478207932132
Energy: 1.31508085841097
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Energy: 1.264646652951073
Energy: 1.3013635370503795
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Energy: 1.356338070632707
Energy: 1.3540744703691618
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Energy: 1.270002407750988
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Energy: 1.3563380706323767
Energy: 1.3540744703681715
Energy: 1.3060778274673792
Energy: 1.3028918447855122
Energy: 1.2837781468441183
Energy: 1.273075430244836
Energy: 1.2885257550453004
Energy: 1.3060321440744727
Energy: 1.3029397086673362
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Energy: 1.2837781468444485
Energy: 1.2730754302438454
Energy: 1.2885257550456306
Energy: 1.296173812451158
Energy: 1.3636699729971593
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Energy: 1.4518314727179917
Energy: 1.2974106224982571
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Energy: 1.3636699729974895
Energy: 1.254672612693212
Energy: 1.4518314727173314
Energy: 1.3000200328333023
Energy: 1.300747412757523
Energy: 1.3337093118136376
Energy: 1.269050404711874
Energy: 1.4130699966763844
Energy: 1.3134544932271472
Energy: 1.300020032832972
Energy: 1.300747412757523
Energy: 1.3337093118146282
Energy: 1.2690504047122042
Energy: 1.3641034251244653
Energy: 1.2923733819364336
Energy: 1.271820246930198
Energy: 1.293448914973385
Energy: 1.2882760971000493
Energy: 1.2848351895612034
Energy: 1.364103425123805
Energy: 1.292373381935773
Energy: 1.2718202469321793
Energy: 1.2934489149727244
Energy: 1.3082520088378993
Energy: 1.422588224581396
Energy: 1.26895720004305
Energy: 1.3732380750708324
Energy: 1.3360786994958296
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Energy: 1.3732380750691815
Energy: 1.3151116904341964
Energy: 1.2652903692613273
Energy: 1.2964727650438943
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Energy: 1.3117490756400463
Energy: 1.315111690433536
Energy: 1.2652903692613273
Energy: 1.2964727650445247
Energy: 1.266909124903777
Energy: 1.254547981871841
Energy: 1.3147354570213605
Energy: 1.3960693731893996
Energy: 1.3131487717489316
Energy: 1.2977662458725305
Energy: 1.3344980294178215
Energy: 1.2545479818731315
Energy: 1.3147354570216907
Energy: 1.3960693731890694
Energy: 1.3131487717486015
Energy: 1.3330603976151976
Energy: 1.3065944261840083
Energy: 1.2674738542667328
Energy: 1.280640066284626
Energy: 1.2845193423680954
Energy: 1.3152554567466292
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Energy: 1.2674738542664026
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Energy: 1.33550592757777
Energy: 1.3544557946874847
Energy: 1.2408077434387417
Energy: 1.3283401387866687
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Energy: 1.33550592757777
Energy: 1.354455794686494
Energy: 1.2408077434400622
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Energy: 1.2693680118155068
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Energy: 1.2845082718583636
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Energy: 1.3086641665911338
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Energy: 1.3086641665924548
Energy: 1.30612601679364
Energy: 1.4015688734616751
Energy: 1.2928508743229683
Energy: 1.3534884150777833
Energy: 1.2961466794375882
Energy: 1.314774250069486
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Energy: 1.3147742500701463
Energy: 1.334911615483385
Energy: 1.3090972677168333
Energy: 1.3376214226304386
Energy: 1.2996469350868562
Energy: 1.2718875585367426
Energy: 1.2781285984243433
Energy: 1.2718350687230044
Energy: 1.309097267716173
Energy: 1.3376214226317595
Energy: 1.2996469350878468
Energy: 1.2718875585370726
Energy: 1.3063682086716708
Energy: 1.3356479837118704
Energy: 1.2689363858931848
Energy: 1.3308494188442654
Energy: 1.2356432954149643
Energy: 1.3196017642482667
Energy: 1.3063682086710104
Energy: 1.3356479837115403
Energy: 1.2689363858931848
Energy: 1.330849418845256
Energy: 1.3798757158365007
Energy: 1.29493886018927
Energy: 1.3149908807840394
Energy: 1.3022369948680808
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Energy: 1.2749464670762285
Energy: 1.3798757158355104
Energy: 1.29493886018894
Energy: 1.3149908807840394
Energy: 1.3022369948674202
Energy: 1.2963881412423468
Energy: 1.348440178608853
Energy: 1.3570018519965996
Energy: 1.3056110032565147
Energy: 1.389779213691944
Energy: 1.2726016950303107
Energy: 1.2963881412439981
Energy: 1.3484401786075322
Energy: 1.357001851995609
Energy: 1.3056110032561845
Energy: 1.236619570091071
Energy: 1.3373090004496158
Energy: 1.3118223960696478
Energy: 1.298575031947463
Energy: 1.2925821234465567
Energy: 1.4066058815867988
Energy: 1.2366195700904106
Energy: 1.3373090004492856
Energy: 1.3118223960693176
Energy: 1.2985750319481233
Energy: 1.4887175786212128
Energy: 1.2890478705161497
Energy: 1.3174522777969098
Energy: 1.3244121012064545
Energy: 1.2930219358097812
Energy: 1.3007053765457899
Energy: 1.4887175786202225
Energy: 1.2890478705168098
Energy: 1.3174522777962496
Energy: 1.3244121012048033
Energy: 1.2367409651566512
Energy: 1.4421130119933743
Energy: 1.3188345740404284
Energy: 1.305798749045047
Energy: 1.422968351310536
Energy: 1.3195494360330595
Energy: 1.2367409651566512
Energy: 1.4421130119937045
Energy: 1.3188345740407585
Energy: 1.305798749043396
Energy: 1.2682858667891297
Energy: 1.3013475833770967
Energy: 1.304815554741888
Energy: 1.305606617184277
Energy: 1.2814098965601868
Energy: 1.491173356184095
Energy: 1.2682858667887995
Energy: 1.3013475833767663
Energy: 1.3048155547425484
Energy: 1.305606617184277
Energy: 1.3280314276635388
Energy: 1.3040405356335307
Energy: 1.3130880743290265
Energy: 1.2555010842719507
Energy: 1.3199307880628386
Energy: 1.3023695915022022
Energy: 1.3280314276645293
Energy: 1.3040405356341913
Energy: 1.3130880743296869
Energy: 1.2555010842716205
Energy: 1.2600774800679961
Energy: 1.3814640495985613
Energy: 1.3170352063299866
Energy: 1.3322164724864916
Energy: 1.3886303628295373
Energy: 1.284931508573885
Energy: 1.2600774800663452
Energy: 1.3814640496002124
Energy: 1.3170352063299866
Energy: 1.3322164724855008
Energy: 1.2581162510501465
Energy: 1.2916058349902186
Energy: 1.3062889403791016
Energy: 1.3319145768984189
Energy: 1.283038881236034
Energy: 1.3209799524920074
Energy: 1.2581162510498163
Energy: 1.2916058349898885
Energy: 1.3062889403791016
Energy: 1.3319145768970981
Energy: 1.3326897525509505
Energy: 1.2341581060772824
Energy: 1.345042498441262
Energy: 1.2534797068765877
Energy: 1.312137816087559
Energy: 1.301357449292559
Energy: 1.33268975254996
Energy: 1.2341581060769522
Energy: 1.3450424984409317
Energy: 1.2534797068762575
Energy: 1.2689078900063047
Energy: 1.2969143165216386
Energy: 1.280983654548578
Energy: 1.3080876371965262
Energy: 1.3142808021368062
Energy: 1.3041983605030192
Energy: 1.2689078900059745
Energy: 1.2969143165216386
Energy: 1.2809836545495685
Energy: 1.3080876371965262
Energy: 1.2726245124121252
Energy: 1.3204459474254469
Energy: 1.4230684912607072
Energy: 1.3281283249615896
Energy: 1.3184027712840107
Energy: 1.4406632786923117
Energy: 1.2726245124108044
Energy: 1.320445947425777
Energy: 1.4230684912610376
Energy: 1.3281283249612592
Energy: 1.2935087039704918
Energy: 1.26467532757493
Energy: 1.3007327272870823
Energy: 1.4129919273650813
Energy: 1.315584292690907
Energy: 1.2901739090928241
Energy: 1.2935087039714825
Energy: 1.2646753275745999
Energy: 1.3007327272874125
Energy: 1.4129919273660718
Energy: 1.3087722555256422
Energy: 1.3651063101486982
Energy: 1.292362275821907
Energy: 1.2698403397756808
Energy: 1.2963548000189293
Energy: 1.3303991746769421
Energy: 1.3087722555256422
Energy: 1.3651063101486982
Energy: 1.292362275821907
Energy: 1.26984033977436
Energy: 1.291804841321769
Energy: 1.2728951505910957
Energy: 1.4302144602201645
Energy: 1.3059971517335927
Energy: 1.354723881268283
Energy: 1.3246579601810076
Energy: 1.2918048413214385
Energy: 1.2728951505904351
Energy: 1.430214460221155
Energy: 1.305997151732932
Energy: 1.4013311932522314
Energy: 1.2547257479049665
Energy: 1.4704208519852133
Energy: 1.301521838457066
Energy: 1.3147764485864508
Energy: 1.2961638368648887
Energy: 1.4013311932532222
Energy: 1.2547257479049665
Energy: 1.470420851983232
Energy: 1.3015218384560756
Energy: 1.3014031124357393
Energy: 1.332285115920211
Energy: 1.2354225602975253
Energy: 1.2722732030051045
Energy: 1.2706260527918565
Energy: 1.336195179788904
Energy: 1.301403112435079
Energy: 1.3322851159195503
Energy: 1.2354225602981856
Energy: 1.2722732030054344
Energy: 1.3060709883057398
Energy: 1.2717923773449837
Energy: 1.2732758501430548
Energy: 1.294671571771467
Energy: 1.297453458689383
Energy: 1.35570700630781
Energy: 1.30607098830607
Energy: 1.2717923773446536
Energy: 1.2732758501427246
Energy: 1.294671571771467
Energy: 1.354183289515989
Energy: 1.293280355244155
Energy: 1.3207418530769526
Energy: 1.4075330294278368
Energy: 1.3174562054211143
Energy: 1.294943123395022
Energy: 1.3541832895156585
Energy: 1.2932803552448153
Energy: 1.3207418530756316
Energy: 1.4075330294275066
Energy: 1.4016473134194354
Energy: 1.3011683970897825
Energy: 1.2666936904673118
Energy: 1.2934415252372027
Energy: 1.2720950963746183
Energy: 1.3152210815995833
Energy: 1.4016473134191052
Energy: 1.3011683970891221
Energy: 1.266693690467642
Energy: 1.2934415252368727
Energy: 1.330883003460702
Energy: 1.3201432486026414
Energy: 1.3397011492983377
Energy: 1.2691974591909119
Energy: 1.4418402778390618
Energy: 1.2830876172943333
Energy: 1.3308830034603718
Energy: 1.3201432486033018
Energy: 1.3397011492966866
Energy: 1.269197459189261
Energy: 1.3062578596462573
Energy: 1.2803589489415876
Energy: 1.2966966004009985
Energy: 1.2651630852673614
Energy: 1.296969485114642
Energy: 1.3836873664332447
Energy: 1.3062578596469177
Energy: 1.2803589489419178
Energy: 1.2966966004023197
Energy: 1.26516308526472
Energy: 1.2551906069107592
Energy: 1.2915833415070315
Energy: 1.268826761716151
Energy: 1.2929245202047515
Energy: 1.301564693524866
Energy: 1.318973652134665
Energy: 1.2551906069100986
Energy: 1.291583341507692
Energy: 1.2688267617171416
Energy: 1.292924520205742
Energy: 1.3313472944362095
Energy: 1.3066208216647972
Energy: 1.3583133602332988
Energy: 1.258921220627495
Energy: 1.34086614257249
Energy: 1.2540322219597677
Energy: 1.3313472944368698
Energy: 1.3066208216647972
Energy: 1.3583133602332988
Energy: 1.2589212206268345

minimum gb energy = 1.2341581060769522 eV
minimum distance =  2.29472743747866 Angstroms
sigma value = 437


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

Energy: 1.3951227804611954
Energy: 1.3574546021792573
Energy: 1.2291701363107856
Energy: 1.35275914570865
Energy: 1.2292612031426111
Energy: 1.1837376107452273
Energy: 1.3951227804636013
Energy: 1.3574546021792573
Energy: 1.2291701363107856
Energy: 1.3527591457482941
Energy: 1.230047701775723
Energy: 1.6910444036039336
Energy: 1.2295018366487935
Energy: 1.2272642600582797
Energy: 1.4655149741301334
Energy: 1.2523572013294764
Energy: 1.2300477017769258
Energy: 1.6910444036039336
Energy: 1.2295018366511994
Energy: 1.2272642600582797
Energy: 1.1519688084794235
Energy: 1.1971373136944783
Energy: 1.2304871949697658
Energy: 1.1971050503385163
Energy: 1.230543431487384
Energy: 1.3708214566080081
Energy: 1.1519688084806268
Energy: 1.197137313695681
Energy: 1.2304871949769838
Energy: 1.197105050337313
Energy: 1.4074442489143955
Energy: 1.1964360847615032
Energy: 1.2291838379505349
Energy: 1.2529384382704996
Energy: 1.2297346521993016
Energy: 1.2522155853696488
Energy: 1.4074442489155983
Energy: 1.1964360847603002
Energy: 1.2291838379517381
Energy: 1.2529384382704996
Energy: 1.1482057159242403
Energy: 1.2125816370264964
Energy: 1.229546222761244
Energy: 1.2112087454953733
Energy: 1.225669199006522
Energy: 1.1831503315272418
Energy: 1.148205715925443
Energy: 1.474424619961814
Energy: 1.2295462227624467
Energy: 1.2112087454965763
Energy: 1.2416865431451483
Energy: 1.2982894043526416
Energy: 1.228631321539467
Energy: 1.2116944424545308
Energy: 1.2285991842770603
Energy: 1.2116230000156873
Energy: 1.2416865431439452
Energy: 1.2982894043538444
Energy: 1.228631321539467
Energy: 1.2116944424533278
Energy: 1.2329152964092895
Energy: 1.1972553118497649
Energy: 1.3249533107720912
Energy: 1.2473018249560601
Energy: 1.229684576269483
Energy: 1.197158618753017
Energy: 1.2329152964104926
Energy: 1.197255311848562
Energy: 1.324953310773294
Energy: 1.2473018249572632
Energy: 1.148980245204306
Energy: 1.1977126818390842
Energy: 1.229898939436231
Energy: 1.2529517328329585
Energy: 1.2303151506504841
Energy: 1.1964065503458912
Energy: 1.1489802452055091
Energy: 1.1977126818390842
Energy: 1.229898939432622
Energy: 1.2529517328317554
Energy: 1.2350407022274688
Energy: 1.2473915182631543
Energy: 1.6152441001086475
Energy: 1.2264175433814661
Energy: 1.229244232424469
Energy: 1.2830827885660447
Energy: 1.2350407022298742
Energy: 1.2473915182631543
Energy: 1.6152441001086475
Energy: 1.226417543382669
Energy: 1.1829351502430305
Energy: 1.1866247747824634
Energy: 1.2293888231697347
Energy: 1.1687634540954113
Energy: 1.2300672036110234
Energy: 1.356534223458894
Energy: 1.1829351502442336
Energy: 1.1866247747824634
Energy: 1.2293888231721408
Energy: 1.1687634540966145
Energy: 1.4013947772334634
Energy: 1.247511073649005
Energy: 1.2342082360325488
Energy: 1.2587780874227108
Energy: 1.3280269535369214
Energy: 1.2006858219649383
Energy: 1.4013947772358695
Energy: 1.247511073651411
Energy: 1.2342082360349547
Energy: 1.2587780874239136
Energy: 1.1483118871402962
Energy: 1.1973657882658102
Energy: 1.3934253438036763
Energy: 1.1965114192265434
Energy: 1.393700107003341
Energy: 1.1975806058639744
Energy: 1.148311887141499
Energy: 1.1973657882670132
Energy: 1.3934253438036763
Energy: 1.1965114192265434
Energy: 1.4014233115627939
Energy: 1.2010651941610584
Energy: 1.3280269535369214
Energy: 1.2585133222633649
Energy: 1.2342275879107123
Energy: 1.2474797980576542
Energy: 1.4014233115627939
Energy: 1.2010651941622612
Energy: 1.3280269535369214
Energy: 1.2585133222621618
Energy: 1.1843858042723072
Energy: 1.3564791124176894
Energy: 1.2300330184336885
Energy: 1.1687501703310306
Energy: 1.2285607385026134
Energy: 1.1862763255814512
Energy: 1.1843858042723072
Energy: 1.3564791124176894
Energy: 1.2300330184348915
Energy: 1.1687501703322334

minimum gb energy = 1.1482057159242403 eV
minimum distance =  2.28533723431139 Angstroms
sigma value = 33