Model name: model_name=MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_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=2.863657310605049
cohesive_energy=4.290337405585514
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: 0.01495001332667292
Energy: 0.015482588545177447
Energy: 0.01524773166269285
Energy: 1.522377053675098
Energy: 0.015247731290592554
Energy: 0.015482588545177447
Energy: 0.01495001332667292
Energy: 0.015482588544968033
Energy: 0.01524773157473949
Energy: 1.522377053675098
Energy: 0.6966781324477361
Energy: 0.015657976002406825
Energy: 0.017105889345037442
Energy: 0.6923522823906509
Energy: 0.017105889344801853
Energy: 0.01565528546263402
Energy: 0.6966781324477361
Energy: 0.015658510206530602
Energy: 0.017105889345273035
Energy: 0.6923522823906509
Energy: 0.01495001332667292
Energy: 0.015482588545413036
Energy: 0.015247731302110254
Energy: 1.522377053675098
Energy: 0.01524773104722875
Energy: 0.015482588544968033
Energy: 0.014950013326437332
Energy: 0.015482588544732445
Energy: 0.015247731251222954
Energy: 1.5223770536753336
Energy: 0.6966781324477361
Energy: 0.015651849358674433
Energy: 0.017105889345718033
Energy: 0.6923522823906509
Energy: 0.017105889345037442
Energy: 0.015658660381551358
Energy: 0.6966781324479717
Energy: 0.0156513190660669
Energy: 0.017105889345273035
Energy: 0.6923522823904154
Energy: 0.01495001332667292
Energy: 0.015482588545413036
Energy: 0.015247731325590659
Energy: 1.5223770536753336
Energy: 0.015247731139318009
Energy: 0.015482588545413036
Energy: 0.014950013326437332
Energy: 0.015482588545413036
Energy: 0.015247731236721119
Energy: 1.522377053675098
Energy: 0.6966781324475267
Energy: 0.015521924042170595
Energy: 0.017105889345273035
Energy: 0.6923522823906509
Energy: 0.017105889345037442
Energy: 0.015522430052190672
Energy: 0.6966781324475267
Energy: 0.015518675386190079
Energy: 0.017105889345273035
Energy: 0.6923522823906509
Energy: 0.01495001332667292
Energy: 0.015482588545177447
Energy: 0.015247732111464395
Energy: 1.5223770536753336
Energy: 0.015247731634134185
Energy: 0.015482588545177447
Energy: 0.014950013326201743
Energy: 0.015482588545177447
Energy: 0.015247731525920143
Energy: 1.5223770536753336

minimum gb energy = 0.014950013326201743 eV
minimum distance =  2.33512026079714 Angstroms
sigma value = 3


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

Energy: 1.4180172607358486
Energy: 1.2305520241868075
Energy: 1.2751499190428135
Energy: 1.3532132846726634
Energy: 1.2767060162973947
Energy: 1.263267609299279
Energy: 1.4180172607347201
Energy: 1.2305520241885002
Energy: 1.275149919041685
Energy: 1.3532132846698421
Energy: 1.3231996696144128
Energy: 1.2798575345594525
Energy: 1.31183150498416
Energy: 1.299595542090133
Energy: 1.2816143037587042
Energy: 1.2667187867797325
Energy: 1.3231996696155413
Energy: 1.2798575345611454
Energy: 1.3118315049824676
Energy: 1.2995955420884404
Energy: 1.3150580672763306
Energy: 1.2060276736812883
Energy: 1.2363205579955652
Energy: 1.2239113661412362
Energy: 1.239686978843892
Energy: 1.2053855553302315
Energy: 1.3150580672774588
Energy: 1.2060276736795954
Energy: 1.2363205579938725
Energy: 1.2239113661418004
Energy: 1.255505663296283
Energy: 1.1960453872760117
Energy: 1.2043858801419218
Energy: 1.2497516962724557
Energy: 1.2392530674989708
Energy: 1.2259756669811264
Energy: 1.2555056632957189
Energy: 1.196045387274883
Energy: 1.2043858801441787
Energy: 1.2497516962718913
Energy: 1.2601472887364382
Energy: 1.2224977988081083
Energy: 1.2466812870534332
Energy: 1.2132663782262576
Energy: 1.1986541912222928
Energy: 1.2268062526843642
Energy: 1.2601472887370024
Energy: 1.2224977988075443
Energy: 1.2466812870551258
Energy: 1.2132663782262576
Energy: 1.231654647072874
Energy: 1.2402074631170927
Energy: 1.2228423534695014
Energy: 1.2665386675454
Energy: 1.2383274917333855
Energy: 1.2695490530488032
Energy: 1.231654647072874
Energy: 1.2402074631165285
Energy: 1.2228423534700659
Energy: 1.266538667547657
Energy: 1.2358147758023543
Energy: 1.2046856632027971
Energy: 1.330429257256245
Energy: 1.2664220313624848
Energy: 1.2106027156165722
Energy: 1.238193592279122
Energy: 1.2358147758017899
Energy: 1.204685663199412
Energy: 1.3304292572568095
Energy: 1.2664220313624848
Energy: 1.2896947758139141
Energy: 1.3135193323001721
Energy: 1.2800190047245525
Energy: 1.2271875570855884
Energy: 1.2680643563279013
Energy: 1.3294624119251892
Energy: 1.2896947758150425
Energy: 1.3135193322985308
Energy: 1.2800190047251172
Energy: 1.227187557089538
Energy: 1.2794420142739034
Energy: 1.3123393372794763
Energy: 1.2546125971966804
Energy: 1.317548119243059
Energy: 1.2672239014912774
Energy: 1.2964648780383945
Energy: 1.2794420142744676
Energy: 1.312339337278912
Energy: 1.2546125971961162
Energy: 1.317548119243059
Energy: 1.2593960741061696
Energy: 1.258887933416457
Energy: 1.352400308201592
Energy: 1.2760671018350986
Energy: 1.2831411703490545
Energy: 1.3811839307767464
Energy: 1.2593960741044767
Energy: 1.2588879334204068
Energy: 1.352400308201592
Energy: 1.2760671018322776
Energy: 1.201310686558977
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Energy: 1.297379165180326
Energy: 1.2660975860223602
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Energy: 1.2660975860246173
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Energy: 1.2111312533342418
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Energy: 1.285076623116456
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Energy: 1.2161935895586495
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Energy: 1.2257433918701703
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Energy: 1.2478469874455205
Energy: 1.20752176757587
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Energy: 1.2128513753655135
Energy: 1.224021496241379
Energy: 1.2558546739550653
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Energy: 1.2670828209755418
Energy: 1.2128513753632564
Energy: 1.2240214962408147
Energy: 1.2558546739550653
Energy: 1.2074657409816563
Energy: 1.2525350725631335
Energy: 1.2113578469305832
Energy: 1.2344289892014486
Energy: 1.2371137654586606
Energy: 1.285146831257402
Energy: 1.2362467345383625
Energy: 1.252535072562569
Energy: 1.2113578469294544
Energy: 1.2344289892003202
Energy: 1.2371137654586606
Energy: 1.264305953569444
Energy: 1.2996078855929847
Energy: 1.281521234464189
Energy: 1.201911912032171
Energy: 1.2670702610223445
Energy: 1.2126983726619773
Energy: 1.264305953571701
Energy: 1.299607885591292
Energy: 1.281521234464189
Energy: 1.201911912030478
Energy: 1.2949561701333245
Energy: 1.259265161117965
Energy: 1.2702354818078405
Energy: 1.2590983686146713
Energy: 1.381200821152503
Energy: 1.2170435870028125
Energy: 1.294956170132196
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Energy: 1.2702354818061479
Energy: 1.2590983686135426
Energy: 1.3400655975855995
Energy: 1.2654602594356184
Energy: 1.3176368179519664
Energy: 1.2277056448731403
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Energy: 1.2829719336865397
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Energy: 1.26546025943449
Energy: 1.3176368179536593
Energy: 1.2277056448742687
Energy: 1.2413147065368302
Energy: 1.2459788783919892
Energy: 1.276456072273514
Energy: 1.267774962296631
Energy: 1.3293458586662272
Energy: 1.2676668969851446
Energy: 1.2413147065357018
Energy: 1.2459788783902963
Energy: 1.2764560722740788
Energy: 1.2677749622983239
Energy: 1.264670647153627
Energy: 1.2635773829774566
Energy: 1.2660145091345885
Energy: 1.237405733241081
Energy: 1.2467244394642223
Energy: 1.2116738205190494
Energy: 1.264670647153627
Energy: 1.2635773829757635
Energy: 1.2660145091317674
Energy: 1.2374057332393882
Energy: 1.258761359407815
Energy: 1.2226154114230774
Energy: 1.221010780166098
Energy: 1.231768336801815
Energy: 1.2806075131535446
Energy: 1.237558877975742
Energy: 1.258761359405558
Energy: 1.2226154114225132
Energy: 1.2210107801694834
Energy: 1.2317683368046364
Energy: 1.2126749419682559
Energy: 1.2569110261499274
Energy: 1.222952404771589
Energy: 1.2102922514109693
Energy: 1.2270620258584732
Energy: 1.1987853768405838
Energy: 1.212674941971077
Energy: 1.256911026148799
Energy: 1.2229524047727172
Energy: 1.2102922514104049
Energy: 1.263506799719518
Energy: 1.2616384924585058
Energy: 1.195999011651776
Energy: 1.2246803458855395
Energy: 1.2257734433837415
Energy: 1.20136932881682
Energy: 1.2635067997200826
Energy: 1.2616384924579416
Energy: 1.1959990116523405
Energy: 1.2246803458855395
Energy: 1.2858802608781343
Energy: 1.2290049761686235
Energy: 1.2054688155786857
Energy: 1.3151873049559533
Energy: 1.2052037687095902
Energy: 1.2758933748121224
Energy: 1.285880260877006
Energy: 1.2290049761680593
Energy: 1.2054688155786857
Energy: 1.315187304960467
Energy: 1.2991456933674435
Energy: 1.3177022409465295
Energy: 1.2280202618914549
Energy: 1.3134633665576885
Energy: 1.2017477675087362
Energy: 1.2771488074634656
Energy: 1.2991456933680077
Energy: 1.3177022409476582
Energy: 1.228020261889762
Energy: 1.3134633665571245
Energy: 1.357816122166552
Energy: 1.276835521200462
Energy: 1.2162986124262853
Energy: 1.374390904153624
Energy: 1.2305520241648016
Energy: 1.2751499190411206
Energy: 1.3578161221642948
Energy: 1.2768355212015905
Energy: 1.2162986124262853
Energy: 1.374390904153624
Energy: 1.2995955420890046
Energy: 1.2816143037592684
Energy: 1.2667187867797325
Energy: 1.3231996696138486
Energy: 1.279857534560581
Energy: 1.3118315049830316
Energy: 1.2995955420895688
Energy: 1.2816143037598327
Energy: 1.2667187867808611
Energy: 1.3231996696149773
Energy: 1.2858802608764415
Energy: 1.2396869788427636
Energy: 1.2053855553307955
Energy: 1.3150580672746377
Energy: 1.2060276736790312
Energy: 1.2363205579938725
Energy: 1.2858802608781343
Energy: 1.239686978843328
Energy: 1.205385555331924
Energy: 1.3150580672757661
Energy: 1.2497516962735842
Energy: 1.2392530674978424
Energy: 1.2259336320643919
Energy: 1.2555056632934616
Energy: 1.1960453872765757
Energy: 1.2043858801430503
Energy: 1.2497516962724557
Energy: 1.2392530675023563
Energy: 1.2259336320632632
Energy: 1.2555056632957189

minimum gb energy = 1.195999011651776 eV
minimum distance =  2.27167302251004 Angstroms
sigma value = 75


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

Energy: 1.5298417523822316
Energy: 1.3150296449618484
Energy: 1.269610814218664
Energy: 1.282536523160762
Energy: 1.2585370155454114
Energy: 1.3006514339096864
Energy: 1.5298417523822316
Energy: 1.3150296449621237
Energy: 1.269610814218664
Energy: 1.2825365231593853
Energy: 1.2190387308153336
Energy: 1.2297357652271317
Energy: 1.2181204714011968
Energy: 1.292004954873218
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Energy: 1.364706356714809
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Energy: 1.2181204714033995
Energy: 1.3075294172038885
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Energy: 1.3061278126031521
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Energy: 1.2221754576059798
Energy: 1.2390913052158254
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Energy: 1.2222325117082113
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Energy: 1.1931399141760115
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Energy: 1.2225635161298174
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Energy: 1.2518137726232694
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Energy: 1.2204537184643913
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Energy: 1.2623628442432924
Energy: 1.2803360705313467
Energy: 1.1951513973953727
Energy: 1.3543027598789843
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Energy: 1.1952894337831588
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Energy: 1.2896036362997263
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Energy: 1.2381376118456986
Energy: 1.1942603606349753
Energy: 1.289603636300277
Energy: 1.245804980836928
Energy: 1.3065372201220609
Energy: 1.388225751095487
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Energy: 1.3024090569414764
Energy: 1.2824159140948954
Energy: 1.3648420390039189
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Energy: 1.2874842446117218
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minimum gb energy = 1.1834222731735458 eV
minimum distance =  2.22479633558922 Angstroms
sigma value = 105


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

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Energy: 1.306556617340795
Energy: 1.1553962946822123
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Energy: 1.110634828830852
Energy: 1.3287228575094128
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Energy: 1.1421958007732673
Energy: 1.435236041892037
Energy: 1.1251149913035283
Energy: 1.450577229047559
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Energy: 1.2492763850702904
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Energy: 1.3315644345082618
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Energy: 1.3129301363359787
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Energy: 1.468529986912112
Energy: 1.142231988516461
Energy: 1.3216435671585187
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Energy: 1.3216435671594506
Energy: 1.0704653960155852
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Energy: 1.2568363491784307
Energy: 1.2483233390325708
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Energy: 1.0790611045254646
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Energy: 1.4638803642822489
Energy: 1.142231099556064
Energy: 1.17948076197053
Energy: 1.3696711398106878
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Energy: 1.2548964547902601
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Energy: 1.265298439480422
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Energy: 1.1621779867882294
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Energy: 1.229377843820444
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Energy: 1.1621779867879187
Energy: 1.2803942076212855
Energy: 1.2490136974505601
Energy: 1.165072501160061
Energy: 1.4506141515788027
Energy: 1.229416361736985
Energy: 1.295658024891761
Energy: 1.2500690319402652
Energy: 1.2490136974499388
Energy: 1.165072501160061
Energy: 1.4506141515788027
Energy: 1.2294163617379168
Energy: 1.2652619139909054
Energy: 1.369799985292469
Energy: 1.2673258891614885
Energy: 1.2333533453600665
Energy: 1.3102268738045595
Energy: 1.1108565091282667
Energy: 1.2652619139909054
Energy: 1.3697999852921585
Energy: 1.2673258891611778
Energy: 1.2333533453600665
Energy: 1.1686918652372846
Energy: 1.225165833545304
Energy: 1.4574338441817227
Energy: 1.177789114100528
Energy: 1.2817844312229456
Energy: 1.2647285925519263
Energy: 1.1686918652388374
Energy: 1.2251658335449933
Energy: 1.4574338441817227
Energy: 1.1777891141014596
Energy: 1.316865631905123
Energy: 1.110805705778621
Energy: 1.3316379067175534
Energy: 1.1160642392515614
Energy: 1.3113614136823855
Energy: 1.141997585328296
Energy: 1.316865631905123
Energy: 1.1108057057773786
Energy: 1.3316379067166215
Energy: 1.1160642392515614
Energy: 1.0657870130403657
Energy: 1.1106545393145477
Energy: 1.1541836760056108
Energy: 1.2295404346999776
Energy: 1.4504965373300043
Energy: 1.096684367139874
Energy: 1.0657870130412974
Energy: 1.110654539314237
Energy: 1.1541836760071358
Energy: 1.229540434699667
Energy: 1.2492209785202193
Energy: 1.2041611475336131
Energy: 1.112250427161241
Energy: 1.153871793953736
Energy: 1.2491686915922349
Energy: 1.2495055948214298
Energy: 1.2492209785199087
Energy: 1.2041611475326812
Energy: 1.1122504271615516
Energy: 1.1538717939534253
Energy: 1.2546835982935243
Energy: 1.3284688788000965
Energy: 1.2182037240305705
Energy: 1.3320549877921901
Energy: 1.1846738075852754
Energy: 1.3305397293205705
Energy: 1.254683598292903
Energy: 1.328468878800407
Energy: 1.2182037240318129
Energy: 1.3320549877928112

minimum gb energy = 1.0657870130403657 eV
minimum distance =  2.24180380594209 Angstroms
sigma value = 165


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

Energy: 1.2691662829191799
Energy: 1.354647415921876
Energy: 1.1970444402029392
Energy: 1.2156977948711756
Energy: 1.195969514809199
Energy: 1.354829684800879
Energy: 1.2691662829202461
Energy: 1.354647415921876
Energy: 1.1970444402029392
Energy: 1.215697794917028
Energy: 1.210256526634
Energy: 1.2173761556378306
Energy: 1.195873009983273
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Energy: 1.185221302629289
Energy: 1.2156577063043295
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Energy: 1.2173761556388971
Energy: 1.195873009983273
Energy: 1.2130834328207025
Energy: 1.2148392057732578
Energy: 1.3736735471949617
Energy: 1.2784953066562146
Energy: 1.2245949048891713
Energy: 1.214339457361771
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Energy: 1.219535277682953
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Energy: 1.184954705323417
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Energy: 1.1960754065417059
Energy: 1.293792297044394
Energy: 1.2225268580393576
Energy: 1.2158430025435507
Energy: 1.184954705323417
Energy: 1.2135100067635884
Energy: 1.22145446039484
Energy: 1.2014085307942957
Energy: 1.2010259963374748
Energy: 1.2087562906651144
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Energy: 1.1862466491325583
Energy: 1.22145446039484
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Energy: 1.2010259963374748
Energy: 1.2087562906651144
Energy: 1.199122078627556
Energy: 1.2756349540696568
Energy: 1.2553959577231313
Energy: 1.3735251926562653
Energy: 1.2145024318250965
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Energy: 1.199122078627556
Energy: 1.2756349540696568
Energy: 1.255395957724198
Energy: 1.3735251926562653
Energy: 1.215061153990216
Energy: 1.20907721333321
Energy: 1.2122299539902694
Energy: 1.2137952883771868
Energy: 1.1850698788304106
Energy: 1.2152789516014917
Energy: 1.215061153990216
Energy: 1.20907721333321
Energy: 1.2122299539902694
Energy: 1.2137952883771868
Energy: 1.2243323308561473
Energy: 1.2784953066572808
Energy: 1.3736714562043166
Energy: 1.214847643011554
Energy: 1.2840699357416174
Energy: 1.2145759837600483
Energy: 1.2243323308561473
Energy: 1.2784953066572808
Energy: 1.3736714562043166
Energy: 1.214847643011554
Energy: 1.213243806116928
Energy: 1.195966738119783
Energy: 1.2173527235655697
Energy: 1.2101843199638955
Energy: 1.2158945929510407
Energy: 1.1851266545694863
Energy: 1.213243806116928
Energy: 1.1959667381208494
Energy: 1.2173527235655697
Energy: 1.2101843199638955
Energy: 1.2577918441325693
Energy: 1.195969514808133
Energy: 1.354829684800879
Energy: 1.2691662829191799
Energy: 1.354647415921876
Energy: 1.1970444402029392
Energy: 1.257791844589832
Energy: 1.195969514808133
Energy: 1.354829684800879
Energy: 1.2691662829202461

minimum gb energy = 1.184947106059928 eV
minimum distance =  2.26595246485716 Angstroms
sigma value = 41


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

Energy: 1.2226479298599946
Energy: 1.3750401412247146
Energy: 1.1391045013106316
Energy: 1.123724025893657
Energy: 1.1373931731481772
Energy: 1.1582653112051466
Energy: 1.2226479298579258
Energy: 1.3750401412238873
Energy: 1.1391045013093903
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Energy: 1.1401333078109466
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Energy: 1.1370491810691723
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Energy: 1.2316382459566497
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Energy: 1.14614314110979
Energy: 1.145364003311961
Energy: 1.1878029390484648
Energy: 1.1820942677296122
Energy: 1.155009771875726
Energy: 1.2375644696986094
Energy: 1.14614314110979
Energy: 1.1453640033115473
Energy: 1.1878029390484648
Energy: 1.1820942677304398
Energy: 1.1978469126551754
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Energy: 1.1570637154320946
Energy: 1.134715955051101
Energy: 1.1978469126531068
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Energy: 1.18290793804298
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Energy: 1.1514936297174134
Energy: 1.1446159915790624
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Energy: 1.3219380248424135
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Energy: 1.1514936297174134
Energy: 1.1446159915563072
Energy: 1.376170135263749
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Energy: 1.1530008170581127
Energy: 1.140311593947493
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Energy: 1.1815901433241551
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Energy: 1.1815901433241551
Energy: 1.1453265874225023
Energy: 1.1454967013717348
Energy: 1.1815901433241551
Energy: 1.1363809994939302
Energy: 1.196231957644791
Energy: 1.2152934091210086
Energy: 1.154878821320089
Energy: 1.1401736647585103
Energy: 1.1710477081921182
Energy: 1.136380999493103
Energy: 1.196231957645205
Energy: 1.2152934091201812
Energy: 1.1548788213233987
Energy: 1.137190452859579
Energy: 1.1509500197720897
Energy: 1.1533940417932458
Energy: 1.2715401928670291
Energy: 1.1363071493982768
Energy: 1.3053275341076371
Energy: 1.1371904528591654
Energy: 1.1509500197729172
Energy: 1.1533940417936597
Energy: 1.2715401928666155
Energy: 1.1413775284162355
Energy: 1.18290793804298
Energy: 1.2367177350600822
Energy: 1.2050784162370836
Energy: 1.1343999465826071
Energy: 1.1573400591659213
Energy: 1.1413775284154082
Energy: 1.1829079380438074
Energy: 1.2367177350600822
Energy: 1.2050784161833366
Energy: 1.2772375868634354
Energy: 1.1878029390484648
Energy: 1.1455477391044409
Energy: 1.1452632407311998
Energy: 1.2375644696994368
Energy: 1.1515298340118025
Energy: 1.2772375868634354
Energy: 1.1878029390484648
Energy: 1.1455477391036133
Energy: 1.1452632407320273
Energy: 1.1219027100207335
Energy: 1.1376669161535562
Energy: 1.1627654263882463
Energy: 1.1164171395568039
Energy: 1.1566252300111777
Energy: 1.1398252566781135
Energy: 1.1219027100203198
Energy: 1.1376669161531423
Energy: 1.1627654263894873
Energy: 1.1164171395568039
Energy: 1.1466750119801048
Energy: 1.1361839663126636
Energy: 1.1571593472274457
Energy: 1.156766368955573
Energy: 1.208985402426689
Energy: 1.281837380937273
Energy: 1.1466750119801048
Energy: 1.136183966313077
Energy: 1.1571593472274457
Energy: 1.156766368953504
Energy: 1.1547566670212435
Energy: 1.1407991036842124
Energy: 1.2421906086753103
Energy: 1.2967610305475643
Energy: 1.1472747976034097
Energy: 1.1340044440139196
Energy: 1.1547566670208294
Energy: 1.1407991036842124
Energy: 1.2421906086753103
Energy: 1.296761030546323

minimum gb energy = 1.1164171395568039 eV
minimum distance =  2.2721844109776 Angstroms
sigma value = 185


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

Energy: 1.3843556978002514
Energy: 1.1617350583667396
Energy: 1.3782252681569667
Energy: 1.4560776916737632
Energy: 1.3782242661223756
Energy: 1.1335862789161042
Energy: 1.3843556977997604
Energy: 1.1617350583652664
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Energy: 1.289387197167983
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Energy: 1.1620207342113817
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Energy: 1.3785523251824956
Energy: 1.4121698585719622
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Energy: 1.3843556978002514
Energy: 1.1617350583652664
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Energy: 1.3843556977997604
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Energy: 1.3788060390262413
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Energy: 1.1330426291573266
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Energy: 1.1272664677238793
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Energy: 1.3783097695411672
Energy: 1.1868898662342986
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Energy: 1.1621240162892945
Energy: 1.1625309285051086
Energy: 1.32010276515064
Energy: 1.3780549089999692
Energy: 1.3245355365817226
Energy: 1.3783689844305527
Energy: 1.1621240162888036
Energy: 1.1625309285051086
Energy: 1.133376301964309
Energy: 1.1265817902866697
Energy: 1.3897216385370141
Energy: 1.4192777660011748
Energy: 1.162671014353219
Energy: 1.1258184749144355
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Energy: 1.1265817902861788
Energy: 1.389721638536032
Energy: 1.4192777660011748
Energy: 1.4570214223173628
Energy: 1.1267919324562017
Energy: 1.133064186802017
Energy: 1.1270978178864515
Energy: 1.1618609869364018
Energy: 1.1620207342108908
Energy: 1.4570214223163807
Energy: 1.1267919324566926
Energy: 1.133064186802017
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Energy: 1.1619740048669993
Energy: 1.1617926563040417
Energy: 1.3785523251829868
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Energy: 1.3843556977997604
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Energy: 1.1618534349242922
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Energy: 1.4192381345912894
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Energy: 1.1269822509835008
Energy: 1.1334230599736859
Energy: 1.1259381722822777
Energy: 1.162603220856979
Energy: 1.4192381345912894
Energy: 1.1640200034057864
Energy: 1.3780551901517275
Energy: 1.417645575439744
Energy: 1.1625309021271548
Energy: 1.1621460132168933
Energy: 1.3783097695416582
Energy: 1.1640200034048043
Energy: 1.3780551901517275
Energy: 1.417645575439744
Energy: 1.1625309021271548
Energy: 1.1625309285051086
Energy: 1.320102765151131
Energy: 1.3780549089999692
Energy: 1.2810988464160948
Energy: 1.3783689844300613
Energy: 1.1621240162892945
Energy: 1.1625309285051086
Energy: 1.320102765151131
Energy: 1.378054908999478
Energy: 1.2810988464087283
Energy: 1.4192777660011748
Energy: 1.16267101435371
Energy: 1.1258184749139442
Energy: 1.1333763019638181
Energy: 1.1265817902861788
Energy: 1.389721638536032
Energy: 1.4192777660011748
Energy: 1.162671014353219
Energy: 1.1258184749144355
Energy: 1.133376301964309
Energy: 1.1270978178854691
Energy: 1.1618609869359109
Energy: 1.1620207342108908
Energy: 1.4570214223158895
Energy: 1.1267919324566926
Energy: 1.1330641868015257
Energy: 1.1270978178854691
Energy: 1.161860986936893
Energy: 1.1620207342108908
Energy: 1.4570214223168718
Energy: 1.3785523251824956
Energy: 1.4121698585719622
Energy: 1.1615785176156488
Energy: 1.1622271678864056
Energy: 1.161974004866508
Energy: 1.1617926563040417
Energy: 1.3785523251824956
Energy: 1.4121698585719622
Energy: 1.1615785176161397
Energy: 1.1622271678868965
Energy: 1.162085568810543
Energy: 1.1258186878489573
Energy: 1.2895188571415448
Energy: 1.4192975310341056
Energy: 1.2870704399721349
Energy: 1.161520428747534
Energy: 1.1620855688110339
Energy: 1.1258186878494485
Energy: 1.289518857142527
Energy: 1.4192975310341056

minimum gb energy = 1.1258184749134532 eV
minimum distance =  2.22969579634443 Angstroms
sigma value = 33


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

Energy: 1.220468420783919
Energy: 1.2429996110387531
Energy: 1.209902797345431
Energy: 1.370161500846719
Energy: 1.2060763655092952
Energy: 1.2776504790351009
Energy: 1.220468420782571
Energy: 1.2429996110403707
Energy: 1.2099027973446224
Energy: 1.3805473217002093
Energy: 1.3557508121925184
Energy: 1.2370320413380882
Energy: 1.1389156196506633
Energy: 1.2049735874092171
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Energy: 1.2900899594051674
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Energy: 1.2049735874097565
Energy: 1.2392667276246003
Energy: 1.199143180301803
Energy: 1.2090336838204856
Energy: 1.3374618068854782
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Energy: 1.2931842374500082
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Energy: 1.2390130124462766
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Energy: 1.2305463174026245
Energy: 1.2042601216220727
Energy: 1.1230112548330802
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Energy: 1.1387921663112122
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Energy: 1.2042601216204551
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Energy: 1.1998121653594798
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Energy: 1.193571394787972
Energy: 1.2884405476110803
Energy: 1.204163144626794
Energy: 1.344500334841938
Energy: 1.1989408709004934
Energy: 1.1822510143001377
Energy: 1.193571394788242
Energy: 1.2884405476102714
Energy: 1.204163144626794
Energy: 1.2332596888241767
Energy: 1.337967323655145
Energy: 1.2534119774541406
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Energy: 1.22733888538002
Energy: 1.199779629261175
Energy: 1.2332596888239071
Energy: 1.337967323654875
Energy: 1.253411977453871
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Energy: 1.1973217962865723
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Energy: 1.2862697181878953
Energy: 1.1503558322190912
Energy: 1.1683581253953579
Energy: 1.3252803773957489
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Energy: 1.3593175518282952
Energy: 1.352739034751068
Energy: 1.3252803773962882
Energy: 1.1979594252531187
Energy: 1.2098681447094661
Energy: 1.2566892009695474
Energy: 1.1377173082484955
Energy: 1.1987375736235248
Energy: 1.3450010687022942
Energy: 1.2472051143759717
Energy: 1.1955110316881843
Energy: 1.2890209393324157
Energy: 1.137717308248765
Energy: 1.1987375736213677
Energy: 1.3450010687022942
Energy: 1.247205114375702
Energy: 1.2039534181957172
Energy: 1.2681761075345646
Energy: 1.1806602282243097
Energy: 1.1968693089960964
Energy: 1.2342227062206776
Energy: 1.1862930446620705
Energy: 1.2039534181954474
Energy: 1.2681761075359126
Energy: 1.1806602282245793
Energy: 1.1968693089979836
Energy: 1.3081911070041994
Energy: 1.2062922838689718
Energy: 1.145765285766695
Energy: 1.1969726774570857
Energy: 1.2349767700031122
Energy: 1.2156397408183854
Energy: 1.308191107004469
Energy: 1.2062922838687022
Energy: 1.1457652857661558
Energy: 1.1969726774543896
Energy: 1.1827213874241964
Energy: 1.149973493329967
Energy: 1.2888609539057296
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Energy: 1.3598917229005147
Energy: 1.3297115696344273
Energy: 1.1827213874225786
Energy: 1.1499734933288885
Energy: 1.2888609539062688
Energy: 1.1504171421165776

minimum gb energy = 1.1230112548330802 eV
minimum distance =  2.27384780586925 Angstroms
sigma value = 219


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

Energy: 1.1620953702103838
Energy: 1.1512858725005077
Energy: 1.1326855698690932
Energy: 1.1696697479387248
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Energy: 1.133316430004809
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Energy: 1.1672404613889966
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Energy: 1.1759606941532006
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Energy: 1.2485050555673816
Energy: 1.132951135117157
Energy: 1.1340004267975494
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Energy: 1.120096286310488
Energy: 1.0886662993867926
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Energy: 1.1515437304505
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Energy: 1.1515437304505
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Energy: 1.0884014962985293
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Energy: 1.1217299995489538
Energy: 1.0886121132694502
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Energy: 1.0884014962985293
Energy: 1.132678621367085
Energy: 1.088710758331157
Energy: 1.1200998352955356
Energy: 1.1338851127972527
Energy: 1.134043289423289
Energy: 1.0895108903435946
Energy: 1.1722337450002616
Energy: 1.0887107583329414
Energy: 1.1200998352955356
Energy: 1.1338851127972527
Energy: 1.134043289423289
Energy: 1.1328893787886334
Energy: 1.167327492096909
Energy: 1.1326688320312193
Energy: 1.278313797210185
Energy: 1.1759550171368895
Energy: 1.1516372855191266
Energy: 1.1328893787886334
Energy: 1.167327492096909
Energy: 1.1326688320312193
Energy: 1.278313797210185

minimum gb energy = 1.0884014962985293 eV
minimum distance =  2.24412441289934 Angstroms
sigma value = 15


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

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Energy: 1.2980638648500298
Energy: 1.3192763286912366
Energy: 1.4267808175424401
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Energy: 1.6446297941238852
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Energy: 1.3131398706330009
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Energy: 1.3188692137546547
Energy: 1.337063164421432
Energy: 1.3183900938206807
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Energy: 1.313139870634018
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Energy: 1.3370631644201154
Energy: 1.3202789445889025
Energy: 1.3370879462396081
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Energy: 1.3474571574480778
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Energy: 1.361584100395057
Energy: 1.3202789445889025
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Energy: 1.3187988994195285
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Energy: 1.385305658798988
Energy: 1.3484162288872148
Energy: 1.6356942743711984
Energy: 1.3405128520899596
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minimum gb energy = 1.2972858704159353 eV
minimum distance =  2.25773164111728 Angstroms
sigma value = 293


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

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Energy: 1.3801712310452223
Energy: 1.3893851276400588
Energy: 1.3589693414102393
Energy: 1.496835610803187
Energy: 1.2983395978063315
Energy: 1.5349426029050361
Energy: 1.358716657615778
Energy: 1.3532383154924845
Energy: 1.3644484516358226
Energy: 1.4465693454166333
Energy: 1.2983395978063315
Energy: 1.534942602904633
Energy: 1.358716657615375
Energy: 1.3532383154928873
Energy: 1.4114914029664185
Energy: 1.298364167497508
Energy: 1.3753245639740566
Energy: 1.3685598548671023
Energy: 1.386461497069102
Energy: 1.3103911394670547
Energy: 1.4114914029656125
Energy: 1.298364167497911
Energy: 1.3753245639740566
Energy: 1.3685598548679085
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Energy: 1.29877351961756
Energy: 1.3361176113401996
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Energy: 1.313471321601256
Energy: 1.356048826964798
Energy: 1.409070656178133
Energy: 1.29877351961756
Energy: 1.3361176113385875
Energy: 1.317413727485705
Energy: 1.331296047884817
Energy: 1.4697549843803168
Energy: 1.370356604683815
Energy: 1.301417825072056
Energy: 1.5511868116118948
Energy: 1.3271994663759141
Energy: 1.331296047884817
Energy: 1.4697549843807198
Energy: 1.370356604683412
Energy: 1.301417825072056
Energy: 1.3309939998744804
Energy: 1.3321491221852415
Energy: 1.3544787670848633
Energy: 1.4467802989451712
Energy: 1.3466756849610608
Energy: 1.3159279000472743
Energy: 1.3309939998748839
Energy: 1.3321491221852415
Energy: 1.3544787670856693
Energy: 1.4467802989463803
Energy: 1.3680715190590522
Energy: 1.3373521764286465
Energy: 1.3117795670356887
Energy: 1.4402011060088376
Energy: 1.2976775036120636
Energy: 1.3883330644743728
Energy: 1.3680715190594552
Energy: 1.3373521764278404
Energy: 1.3117795670352859
Energy: 1.4402011060084348
Energy: 1.368531872005035
Energy: 1.3855999298930222
Energy: 1.385666491131913
Energy: 1.3686216490228675
Energy: 1.3158315265612162
Energy: 1.3158816705005465
Energy: 1.368531872005438
Energy: 1.3855999298930222
Energy: 1.385666491132719
Energy: 1.3686216490228675
Energy: 1.440132356241467
Energy: 1.3118042194651653
Energy: 1.3370964452108152
Energy: 1.368081412144815
Energy: 1.3884139924634742
Energy: 1.2974625985984578
Energy: 1.440132356241064
Energy: 1.3118042194651653
Energy: 1.3370964452104122
Energy: 1.368081412145218
Energy: 1.4467548547637517
Energy: 1.3544675350969009
Energy: 1.332126322495972
Energy: 1.3308910543854835
Energy: 1.3158688068823265
Energy: 1.3465763290321102
Energy: 1.4467548547641547
Energy: 1.3544675350969009
Energy: 1.332126322495972
Energy: 1.3308910543858865
Energy: 1.3016131006576506
Energy: 1.3705044675053324
Energy: 1.4697549843807198
Energy: 1.331230885490402
Energy: 1.327229944735636
Energy: 1.5511868116118948
Energy: 1.3016131006576506
Energy: 1.3705044675049296
Energy: 1.4697549843807198
Energy: 1.331230885490805
Energy: 1.3174991373845566
Energy: 1.3367093071743896
Energy: 1.2982952169564481
Energy: 1.4092442263504235
Energy: 1.3861863893473385
Energy: 1.314000060143031
Energy: 1.3174991373853628
Energy: 1.3367093071755989
Energy: 1.298295216956851
Energy: 1.4092442263508265

minimum gb energy = 1.2974625985976518 eV
minimum distance =  2.22296038740275 Angstroms
sigma value = 293


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

Energy: 1.117781278679051
Energy: 1.168733873237977
Energy: 1.1679530021777371
Energy: 1.5848876885158398
Energy: 1.1680765979094905
Energy: 1.1952601345437142
Energy: 1.1177812786797796
Energy: 1.168733873237977
Energy: 1.1679530021777371
Energy: 1.2519902200645945
Energy: 1.168092067948427
Energy: 1.4992226609300168
Energy: 1.1679387757859838
Energy: 1.1947679610823492
Energy: 1.6812962171792687
Energy: 1.1689986253462537
Energy: 1.168092067948427
Energy: 1.4992226609300168
Energy: 1.1679387757852555
Energy: 1.240984707330909
Energy: 1.1950809430956533
Energy: 1.1154278036559546
Energy: 1.6297886562338242
Energy: 1.1156862555179683
Energy: 1.2011447055562963
Energy: 1.168266427718089
Energy: 1.1950809430949245
Energy: 1.1154278036559546
Energy: 1.6297886562338242
Energy: 1.1156862555179683
Energy: 1.6297949866409893
Energy: 1.1155892494628272
Energy: 1.1951139087313487
Energy: 1.1682700294445376
Energy: 1.201060929543691
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Energy: 1.1951139087313487
Energy: 1.1682700294445376
Energy: 1.167947663646253
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Energy: 1.169006400265631
Energy: 1.6811539834865448
Energy: 1.3783557909969755
Energy: 1.167947663646253
Energy: 1.5184732752823362
Energy: 1.1680983991994938
Energy: 1.1690064002649023
Energy: 1.168076597908762
Energy: 1.2302454015612443
Energy: 1.117781278679051
Energy: 1.1687338732387054
Energy: 1.1679530021777371
Energy: 1.6121650004336021
Energy: 1.1680765979094905
Energy: 1.2302454015619726
Energy: 1.1177812786797796
Energy: 1.168733873237977
Energy: 1.6812962171785402
Energy: 1.1689986253455253
Energy: 1.168092067948427
Energy: 1.6304449466769055
Energy: 1.1679387757859838
Energy: 1.2302815646420575
Energy: 1.6812962171792687
Energy: 1.1689986253462537
Energy: 1.168092067948427
Energy: 1.6304449466754483
Energy: 1.201144705555568
Energy: 1.168266427718089
Energy: 1.1950809430956533
Energy: 1.115427803655226
Energy: 1.6297886562338242
Energy: 1.1156862555179683
Energy: 1.2011447055562963
Energy: 1.168266427718089
Energy: 1.1950809430949245
Energy: 1.1154278036559546
Energy: 1.201060929543691
Energy: 1.1156526841097496
Energy: 1.6297949866409893
Energy: 1.1155892494628272
Energy: 1.1951139087313487
Energy: 1.1682700294445376
Energy: 1.201060929543691
Energy: 1.1156526841097496
Energy: 1.629794986640261
Energy: 1.1155892494628272
Energy: 1.681153983487273
Energy: 1.3783557909962472
Energy: 1.167947663646253
Energy: 1.5184732752830647
Energy: 1.1680983991994938
Energy: 1.1690064002649023
Energy: 1.681153983487273
Energy: 1.3783557909962472
Energy: 1.1679476636469812
Energy: 1.5184732752823362
Energy: 1.1679530021784654
Energy: 1.609125736477924
Energy: 1.168076597908762
Energy: 1.2645478259444813
Energy: 1.117781278679051
Energy: 1.168733873237977
Energy: 1.1679530021784654
Energy: 1.609125736477924
Energy: 1.1680765979094905
Energy: 1.264547825943753
Energy: 1.1679387757852555
Energy: 1.4358470025662282
Energy: 1.6812962171785402
Energy: 1.1689986253455253
Energy: 1.168092067948427
Energy: 1.726322520637405
Energy: 1.1679387757859838
Energy: 1.4358470025662282
Energy: 1.6812962171792687
Energy: 1.1689986253462537
Energy: 1.6297886562338242
Energy: 1.1156862555179683
Energy: 1.2011447055562963
Energy: 1.1682664277173607
Energy: 1.1950809430956533
Energy: 1.1154278036559546
Energy: 1.6297886562345527
Energy: 1.1156862555179683
Energy: 1.2011447055562963
Energy: 1.168266427718089
Energy: 1.1951139087306202
Energy: 1.1682700294445376
Energy: 1.201060929543691
Energy: 1.1156526841097496
Energy: 1.6297949866409893
Energy: 1.1155892494628272
Energy: 1.1951139087313487
Energy: 1.1682700294445376
Energy: 1.201060929543691
Energy: 1.1156526841097496
Energy: 1.1680983991994938
Energy: 1.169006400265631
Energy: 1.681153983487273
Energy: 1.3783557909962472
Energy: 1.167947663646253
Energy: 1.5184732752823362
Energy: 1.1680983991994938
Energy: 1.1690064002649023
Energy: 1.681153983487273
Energy: 1.3783557909962472
Energy: 1.1177812786797796
Energy: 1.168733873237977
Energy: 1.1679530021784654
Energy: 1.5178357593710834
Energy: 1.168076597908762
Energy: 1.1687292289332383
Energy: 1.117781278679051
Energy: 1.168733873237977
Energy: 1.1679530021777371
Energy: 1.5178357593710834
Energy: 1.168092067948427
Energy: 1.8387042584942088
Energy: 1.1679387757852555
Energy: 1.5129778270180625
Energy: 1.6812962171785402
Energy: 1.1689986253455253
Energy: 1.168092067948427
Energy: 1.8387042584949371
Energy: 1.1679387757859838
Energy: 1.512977827018791
Energy: 1.1950809430949245
Energy: 1.1154278036559546
Energy: 1.6297886562338242
Energy: 1.1156862555172398
Energy: 1.2011447055562963
Energy: 1.168266427718089
Energy: 1.1950809430956533
Energy: 1.115427803655226
Energy: 1.6297886562338242
Energy: 1.1156862555179683
Energy: 1.629794986640261
Energy: 1.1155892494628272
Energy: 1.1951139087306202
Energy: 1.1682700294445376
Energy: 1.201060929543691
Energy: 1.1156526841097496
Energy: 1.6297949866409893
Energy: 1.1155892494628272
Energy: 1.1951139087313487
Energy: 1.1682700294445376
Energy: 1.1679476636469812
Energy: 1.5184732752823362
Energy: 1.1680983991994938
Energy: 1.1690064002649023
Energy: 1.681153983487273
Energy: 1.3783557909962472
Energy: 1.167947663646253
Energy: 1.5184732752823362
Energy: 1.1680983991994938
Energy: 1.169006400265631
Energy: 1.1680765979094905
Energy: 1.1687292289332383
Energy: 1.1177812786797796
Energy: 1.168733873237977
Energy: 1.1679530021777371
Energy: 1.5178357593718115
Energy: 1.168076597908762
Energy: 1.1687292289332383
Energy: 1.117781278679051
Energy: 1.168733873237977
Energy: 1.6812962171792687
Energy: 1.1689986253462537
Energy: 1.168092067948427
Energy: 1.8387042584942088
Energy: 1.1679387757852555
Energy: 1.5129778270180625
Energy: 1.6812962171785402
Energy: 1.1689986253455253
Energy: 1.168092067948427
Energy: 1.8387042584942088

minimum gb energy = 1.115427803655226 eV
minimum distance =  2.28069557864837 Angstroms
sigma value = 15


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

Energy: 1.5264091291398927
Energy: 1.2673890176520033
Energy: 1.3077769322308626
Energy: 1.3059458198020089
Energy: 1.3077727419760765
Energy: 1.2886370773362072
Energy: 1.5264091291398927
Energy: 1.2673890176516729
Energy: 1.3077769322318529
Energy: 1.3059458198033296
Energy: 1.3543994922180036
Energy: 1.3554330621223967
Energy: 1.3054468534139085
Energy: 1.3146490389837076
Energy: 1.3358289802528973
Energy: 1.28272301215053
Energy: 1.3543994922189946
Energy: 1.355433062123057
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Energy: 1.314649038984038
Energy: 1.3000114300030186
Energy: 1.269119641615543
Energy: 1.4387140299251946
Energy: 1.3165009727100312
Energy: 1.3205519090968432
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Energy: 1.3000114300030186
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Energy: 1.3165009727090404
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Energy: 1.2711339050282058
Energy: 1.2828024214950178
Energy: 1.3486242620201976
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Energy: 1.301040100292675
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Energy: 1.292535283966012
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Energy: 1.288931345228114
Energy: 1.3168573931593759
Energy: 1.3280044705927831
Energy: 1.237074129323811
Energy: 1.4425338844984463
Energy: 1.3182067757170843
Energy: 1.3053743336550572
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Energy: 1.3182067757174145
Energy: 1.3053743336557175
Energy: 1.2891771642955794
Energy: 1.3007584111217099
Energy: 1.2751278450394632
Energy: 1.3049901842552298
Energy: 1.2807481536642324
Energy: 1.4924659163218368
Energy: 1.2891771642962395
Energy: 1.3007584111223702
Energy: 1.2751278450394632
Energy: 1.3049901842552298
Energy: 1.3089907540416104
Energy: 1.3036264802888602
Energy: 1.3128328766868762
Energy: 1.2558708333319408
Energy: 1.3193636296663216
Energy: 1.3028064388273712
Energy: 1.3089907540419405
Energy: 1.3036264802895203
Energy: 1.3128328766862156
Energy: 1.2558708333319408
Energy: 1.2607757742307384
Energy: 1.3815646565442214
Energy: 1.3164450726714683
Energy: 1.3315543175761664
Energy: 1.3892219028458994
Energy: 1.284618312837791
Energy: 1.2607757742307384
Energy: 1.3815646565445516
Energy: 1.3164450726714683
Energy: 1.331554317575836
Energy: 1.2588094220779098
Energy: 1.2916177667735083
Energy: 1.3063064322301254
Energy: 1.3312947603798861
Energy: 1.2826927982226277
Energy: 1.320706645025404
Energy: 1.2588094220772492
Energy: 1.2916177667728477
Energy: 1.3063064322301254
Energy: 1.331294760379556
Energy: 1.3245339091577337
Energy: 1.2346469677284344
Energy: 1.3446792154748726
Energy: 1.2540273431227011
Energy: 1.314841839555335
Energy: 1.300684710782117
Energy: 1.324533909156743
Energy: 1.234646967728104
Energy: 1.3446792154748726
Energy: 1.2540273431227011
Energy: 1.2687983542283225
Energy: 1.296898571425224
Energy: 1.280466770993087
Energy: 1.3074472204574559
Energy: 1.3149748055363506
Energy: 1.3035549667844357
Energy: 1.2687983542279924
Energy: 1.296898571425554
Energy: 1.280466770994078
Energy: 1.3074472204574559
Energy: 1.272590366691982
Energy: 1.3197201388269015
Energy: 1.4229352445920798
Energy: 1.3275517362785625
Energy: 1.3179204009401122
Energy: 1.4407834732014457
Energy: 1.2725903666926424
Energy: 1.3197201388269015
Energy: 1.4229352445910892
Energy: 1.3275517362785625
Energy: 1.2930264592840395
Energy: 1.2646960438960233
Energy: 1.3001613740077729
Energy: 1.4124313819648202
Energy: 1.3149381718814586
Energy: 1.2896377452654286
Energy: 1.2930264592847
Energy: 1.2646960438963535
Energy: 1.3001613740074427
Energy: 1.4124313819648202
Energy: 1.3090344461837704
Energy: 1.335722636330517
Energy: 1.2953662865404374
Energy: 1.2701362790207007
Energy: 1.2960154325379385
Energy: 1.3299822357969049
Energy: 1.3090344461841006
Energy: 1.3357226363308472
Energy: 1.295366286539777
Energy: 1.2701362790207007
Energy: 1.292116091500443
Energy: 1.2731152399933534
Energy: 1.2869016892204614
Energy: 1.3055179431070805
Energy: 1.3543050370842138
Energy: 1.3582419136732797
Energy: 1.292116091500443
Energy: 1.273115239993023
Energy: 1.2869016892211218
Energy: 1.3055179431067503
Energy: 1.3535306917607652
Energy: 1.255274979619783
Energy: 1.4745743344266187
Energy: 1.3011865289936884
Energy: 1.3142296631681474
Energy: 1.2958073531458083
Energy: 1.3535306917614256
Energy: 1.255274979619783
Energy: 1.474574334427279
Energy: 1.301186528994679
Energy: 1.300808129955027
Energy: 1.3316210336326513
Energy: 1.2362575870935886
Energy: 1.2720235844609018
Energy: 1.270925800063713
Energy: 1.3352970837715838
Energy: 1.300808129955027
Energy: 1.3316210336349326
Energy: 1.2362575870935886
Energy: 1.272023584461232
Energy: 1.3054607929758204
Energy: 1.271606003100039
Energy: 1.2732840660786842
Energy: 1.2947896454759773
Energy: 1.2968746959082857
Energy: 1.3549182007380887
Energy: 1.3054607929758204
Energy: 1.2716060030997087
Energy: 1.2732840660790143
Energy: 1.2947896454763075
Energy: 1.3544647123048525
Energy: 1.2927493041702982
Energy: 1.3210030710516598
Energy: 1.4076014190295858
Energy: 1.3171239056093638
Energy: 1.294618927236909
Energy: 1.3544647123045224
Energy: 1.2927493041702982
Energy: 1.3210030710516598
Energy: 1.4076014190295858
Energy: 1.401418445702588
Energy: 1.3006732775010132
Energy: 1.2665764776571555
Energy: 1.2929457463201093
Energy: 1.273508282327591
Energy: 1.3146388310977941
Energy: 1.4014184457002767
Energy: 1.3006732775010132
Energy: 1.2665764776571555
Energy: 1.2929457463201093
Energy: 1.3302697072643057
Energy: 1.3201618663976915
Energy: 1.3399536806831511
Energy: 1.2689357541313195
Energy: 1.4419848026655564
Energy: 1.2828467738452634
Energy: 1.3302697072652963
Energy: 1.3201618663976915
Energy: 1.3399536806824908
Energy: 1.2689357541309894
Energy: 1.305455138401494
Energy: 1.279767401560853
Energy: 1.2962533346495972
Energy: 1.2655081641046633
Energy: 1.2964527841267655
Energy: 1.3832171400777387
Energy: 1.305455138401494
Energy: 1.279767401561183
Energy: 1.2962533346492668
Energy: 1.265508164104003
Energy: 1.2555983807110795
Energy: 1.2916644388558112
Energy: 1.2687155100834915
Energy: 1.2916678003100097
Energy: 1.3010172192497484
Energy: 1.3184599589186656
Energy: 1.2555983807110795
Energy: 1.2916644388561411
Energy: 1.2687155100831613
Energy: 1.2916678003110003
Energy: 1.3307948178854547
Energy: 1.3060077796504734
Energy: 1.3585140032095429
Energy: 1.259764806051491
Energy: 1.3407353534560562
Energy: 1.2588927084051258
Energy: 1.3307948178854547
Energy: 1.3060077796501433
Energy: 1.3585140032088825
Energy: 1.259764806051491

minimum gb energy = 1.234646967728104 eV
minimum distance =  2.29200070426182 Angstroms
sigma value = 437


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

Energy: 1.2561532739624677
Energy: 1.3573450052057754
Energy: 1.2279888722452346
Energy: 1.2288479399196273
Energy: 1.2280413340488925
Energy: 1.183326369121313
Energy: 1.2561532739624677
Energy: 1.3573450052057754
Energy: 1.2279888722440315
Energy: 1.2288479399220333
Energy: 1.230369841983095
Energy: 1.6904143958336388
Energy: 1.2282980025803476
Energy: 1.2266783747078525
Energy: 1.465138732087284
Energy: 1.2517086001988231
Energy: 1.230369841983095
Energy: 1.6904143958348417
Energy: 1.2282980025803476
Energy: 1.2266783747090555
Energy: 1.1517920951121345
Energy: 1.1959135223479078
Energy: 1.2289451119950623
Energy: 1.1959634865209268
Energy: 1.2293963530805498
Energy: 1.3707757189847871
Energy: 1.1517920951133376
Energy: 1.1959135223467048
Energy: 1.2289451119962653
Energy: 1.1959634865221298
Energy: 1.408103449235481
Energy: 1.1953172188697796
Energy: 1.2280780130952793
Energy: 1.2528093225665247
Energy: 1.228527719856163
Energy: 1.2513821028043821
Energy: 1.4081034492342779
Energy: 1.1953172188685768
Energy: 1.2280780130940765
Energy: 1.2528093225677275
Energy: 1.148234228792245
Energy: 1.474610692923903
Energy: 1.2283574937516377
Energy: 1.2111593881598544
Energy: 1.226314465115807
Energy: 1.15055971424927
Energy: 1.148234228791042
Energy: 1.4746106929226996
Energy: 1.2283574937528405
Energy: 1.2111593881610574
Energy: 1.2416154919045324
Energy: 1.1834059947669298
Energy: 1.2278498286841366
Energy: 1.2115853177222873
Energy: 1.2281320730950849
Energy: 1.2116384954048718
Energy: 1.2416154919033293
Energy: 1.1834059947669298
Energy: 1.2278498286841366
Energy: 1.2115853177222873
Energy: 1.230388318536583
Energy: 1.1962265462230057
Energy: 1.3251674440410308
Energy: 1.2478127416264855
Energy: 1.2287418275841107
Energy: 1.1960117223094249
Energy: 1.230388318536583
Energy: 1.1962265462218027
Energy: 1.3251674440386247
Energy: 1.2478127416252827
Energy: 1.1488421946454241
Energy: 1.1963880864254444
Energy: 1.228694628291183
Energy: 1.2524772772224433
Energy: 1.2292088356241884
Energy: 1.195183272089402
Energy: 1.148842194646627
Energy: 1.1963880864266474
Energy: 1.228694628291183
Energy: 1.2524772772212402
Energy: 1.234681287029526
Energy: 1.24783139439651
Energy: 1.614812961895623
Energy: 1.182961151039782
Energy: 1.2280562419391359
Energy: 1.2839751927515173
Energy: 1.234681287028323
Energy: 1.24783139439651
Energy: 1.614812961895623
Energy: 1.182961151040985
Energy: 1.1823606826897235
Energy: 1.186039793511642
Energy: 1.2288657062019563
Energy: 1.1690134548546742
Energy: 1.2288628835935806
Energy: 1.356154378424702
Energy: 1.1823606826897235
Energy: 1.186039793511642
Energy: 1.2288657062007533
Energy: 1.1690134548534712
Energy: 1.4016628061886742
Energy: 1.2479498745018285
Energy: 1.2282240748554447
Energy: 1.2582477246647241
Energy: 1.327725704812535
Energy: 1.1959434948582197
Energy: 1.401662806187471
Energy: 1.2479498745006257
Energy: 1.2282240748578508
Energy: 1.2582477246635215
Energy: 1.1485364367742388
Energy: 1.196223146788051
Energy: 1.3935010774747005
Energy: 1.195321377669098
Energy: 1.3936952033050602
Energy: 1.196517108886741
Energy: 1.1485364367742388
Energy: 1.196223146788051
Energy: 1.3935010774747005
Energy: 1.1953213776703009
Energy: 1.401563372651139
Energy: 1.1959359812914259
Energy: 1.3277257048113318
Energy: 1.258253554495283
Energy: 1.2327161158215616
Energy: 1.2479227450417194
Energy: 1.401563372651139
Energy: 1.1959359812938315
Energy: 1.3277257048113318
Energy: 1.258253554495283
Energy: 1.1836683805949728
Energy: 1.3558879450033263
Energy: 1.2288273043421796
Energy: 1.1690202042376745
Energy: 1.227866296273103
Energy: 1.1863420531317
Energy: 1.1836683805949728
Energy: 1.3558879450045291
Energy: 1.2288273043421796
Energy: 1.1690202042364715

minimum gb energy = 1.148234228791042 eV
minimum distance =  2.28530473634192 Angstroms
sigma value = 33